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 3cp8_1_D DATA FIRST_RESID 0 DATA SEQUENCE HMYDVIVVGA GHAGCEAALA VARGGLHCLL ITSDLSAVAR MSCNPAIGGV DATA SEQUENCE AKGQITREID ALGGEMGKAI DATGIQFRML NRSKGPAMHS PRAQADKTQY DATA SEQUENCE SLYMRRIVEH EPNIDLLQDT VIGVSANSGK FSSVTVRSGR AIQAKAAILA DATA SEQUENCE CGTFLNGLIH IGMDHFPGGR STAEPPVEGL TESLASLGFS FGRLKTGTPP DATA SEQUENCE RIDSRSVDYT IVTEQPGDVD PVPFSFSSTS VANRNLVSCY LTKTTEKTHD DATA SEQUENCE ILRTGFDRSP LFTGXXXXXX XXXCPSIEDK ISRFPDKSSH HIFLEPEGTD DATA SEQUENCE TVEMYVNGFS TSLPEDIQIA GLRSIPGLEE AKMIRPGYAI EYDFFHPWQI DATA SEQUENCE RSTMETRPVE NLFFAGQING TSGYEEAAAQ GLMAGINAVR KILGKELIVL DATA SEQUENCE GRDQAYIGVL IDDLITKETK EPYRMFTSSA EHRLILRHDN ADLRLRKIGY DATA SEQUENCE DCNLVSSDDL HRTESIIKRV QHCLEVMKTA KVTPAEINTL LMNKGLQELK DATA SEQUENCE TPARALSLIK RPGISLQDIL EHSLSVRSAA EELCNDPRVA EQVQIEIKYE DATA SEQUENCE GYIKREQLVA D 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.231 175.328 -0.162 0.000 0.993 0 H CA 0.000 55.989 56.048 -0.098 0.000 1.023 0 H CB 0.000 29.709 29.762 -0.089 0.000 1.292 1 M N -1.985 117.566 119.600 -0.083 0.000 2.252 1 M HA 0.470 4.949 4.480 -0.001 0.000 0.208 1 M C -0.315 175.826 176.300 -0.266 0.000 1.006 1 M CA -0.386 54.835 55.300 -0.132 0.000 1.596 1 M CB 0.606 33.202 32.600 -0.008 0.000 1.113 1 M HN 0.001 nan 8.290 nan 0.000 0.799 2 Y N 0.437 120.701 120.300 -0.061 0.000 2.374 2 Y HA 0.186 4.735 4.550 -0.001 0.000 0.322 2 Y C 1.015 176.927 175.900 0.020 0.000 1.275 2 Y CA -0.335 57.732 58.100 -0.056 0.000 1.307 2 Y CB 0.748 39.194 38.460 -0.024 0.000 1.282 2 Y HN 0.576 nan 8.280 nan 0.000 0.509 3 D N 0.097 120.640 120.400 0.238 0.000 2.232 3 D HA 0.047 4.686 4.640 -0.001 0.000 0.220 3 D C -0.483 175.908 176.300 0.152 0.000 0.982 3 D CA 1.143 55.239 54.000 0.161 0.000 0.892 3 D CB 0.093 40.968 40.800 0.125 0.000 1.040 3 D HN 0.123 nan 8.370 nan 0.000 0.463 4 V N 2.581 122.569 119.914 0.122 0.000 2.444 4 V HA 0.337 4.457 4.120 -0.001 0.000 0.294 4 V C -0.036 176.065 176.094 0.012 0.000 1.022 4 V CA -0.875 61.446 62.300 0.035 0.000 0.850 4 V CB 1.946 33.748 31.823 -0.036 0.000 0.992 4 V HN 0.098 nan 8.190 nan 0.000 0.426 5 I N 2.937 123.494 120.570 -0.022 0.000 2.339 5 I HA 0.725 4.894 4.170 -0.001 0.000 0.290 5 I C -0.681 175.383 176.117 -0.088 0.000 0.994 5 I CA -0.674 60.580 61.300 -0.077 0.000 1.191 5 I CB 1.762 39.722 38.000 -0.066 0.000 1.343 5 I HN 0.256 nan 8.210 nan 0.000 0.458 6 V N 7.220 127.083 119.914 -0.086 0.000 2.333 6 V HA 0.257 4.377 4.120 -0.001 0.000 0.274 6 V C 0.457 176.514 176.094 -0.062 0.000 1.028 6 V CA -0.688 61.571 62.300 -0.069 0.000 0.851 6 V CB 1.155 32.944 31.823 -0.057 0.000 1.000 6 V HN 0.679 nan 8.190 nan 0.000 0.456 7 V N 3.113 122.995 119.914 -0.053 0.000 2.498 7 V HA 0.969 5.089 4.120 -0.001 0.000 0.279 7 V C 0.419 176.492 176.094 -0.036 0.000 1.048 7 V CA 0.358 62.629 62.300 -0.050 0.000 0.967 7 V CB 0.518 32.312 31.823 -0.047 0.000 0.988 7 V HN 1.706 nan 8.190 nan 0.000 0.473 8 G N 3.503 112.278 108.800 -0.041 0.000 3.307 8 G HA2 0.352 4.312 3.960 -0.001 0.000 0.686 8 G HA3 0.352 4.312 3.960 -0.001 0.000 0.686 8 G C -0.078 174.812 174.900 -0.017 0.000 0.983 8 G CA -0.199 44.888 45.100 -0.021 0.000 0.804 8 G HN 2.333 nan 8.290 nan 0.000 0.531 9 A N 2.232 125.036 122.820 -0.028 0.000 3.264 9 A HA 0.792 5.112 4.320 -0.001 0.000 0.299 9 A C 1.337 178.891 177.584 -0.050 0.000 1.272 9 A CA 1.069 53.083 52.037 -0.038 0.000 1.030 9 A CB -0.212 18.757 19.000 -0.051 0.000 1.102 9 A HN 2.072 nan 8.150 nan 0.000 0.615 10 G N -0.867 107.916 108.800 -0.028 0.000 2.630 10 G HA2 0.342 4.302 3.960 -0.001 0.000 0.223 10 G HA3 0.342 4.302 3.960 -0.001 0.000 0.223 10 G C 0.613 175.422 174.900 -0.151 0.000 1.434 10 G CA -0.090 44.950 45.100 -0.100 0.000 1.057 10 G HN 0.571 nan 8.290 nan 0.000 0.570 11 H N -0.420 118.697 119.070 0.078 0.000 2.357 11 H HA 0.102 4.657 4.556 -0.001 0.000 0.301 11 H C 2.712 178.091 175.328 0.084 0.000 1.082 11 H CA 1.607 57.708 56.048 0.088 0.000 1.342 11 H CB -0.045 29.784 29.762 0.111 0.000 1.389 11 H HN 0.403 nan 8.280 nan 0.000 0.511 12 A N 0.609 123.545 122.820 0.192 0.000 1.855 12 A HA -0.074 4.245 4.320 -0.001 0.000 0.215 12 A C 2.701 180.333 177.584 0.080 0.000 1.191 12 A CA 1.470 53.586 52.037 0.131 0.000 0.613 12 A CB -1.294 17.780 19.000 0.123 0.000 0.829 12 A HN 0.494 nan 8.150 nan 0.000 0.442 13 G N -0.747 108.086 108.800 0.054 0.000 2.476 13 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.218 13 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.218 13 G C 1.619 176.522 174.900 0.005 0.000 1.164 13 G CA 1.397 46.508 45.100 0.018 0.000 0.768 13 G HN 0.520 nan 8.290 nan 0.000 0.560 14 C N 0.217 119.521 119.300 0.006 0.000 2.455 14 C HA 0.001 4.460 4.460 -0.001 0.000 0.281 14 C C 2.826 177.827 174.990 0.018 0.000 1.237 14 C CA 1.019 60.038 59.018 0.001 0.000 1.726 14 C CB -0.637 27.102 27.740 -0.002 0.000 2.068 14 C HN 0.488 nan 8.230 nan 0.000 0.466 15 E N 0.951 121.179 120.200 0.047 0.000 2.130 15 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 15 E C 2.253 178.870 176.600 0.028 0.000 0.998 15 E CA 1.593 58.025 56.400 0.052 0.000 0.806 15 E CB -0.619 29.130 29.700 0.083 0.000 0.738 15 E HN 0.693 nan 8.360 nan 0.000 0.459 16 A N 1.666 124.498 122.820 0.019 0.000 1.835 16 A HA -0.068 4.252 4.320 -0.001 0.000 0.215 16 A C 2.493 180.060 177.584 -0.029 0.000 1.199 16 A CA 2.239 54.269 52.037 -0.012 0.000 0.615 16 A CB -0.875 18.117 19.000 -0.014 0.000 0.838 16 A HN 0.285 nan 8.150 nan 0.000 0.444 17 A N -0.535 122.271 122.820 -0.024 0.000 1.940 17 A HA -0.085 4.235 4.320 -0.001 0.000 0.219 17 A C 2.207 179.778 177.584 -0.021 0.000 1.176 17 A CA 1.635 53.655 52.037 -0.028 0.000 0.631 17 A CB -0.662 18.320 19.000 -0.030 0.000 0.814 17 A HN 0.486 nan 8.150 nan 0.000 0.446 18 L N -1.042 120.173 121.223 -0.013 0.000 2.056 18 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 18 L C 3.101 179.965 176.870 -0.010 0.000 1.078 18 L CA 1.018 55.853 54.840 -0.008 0.000 0.749 18 L CB -0.486 41.576 42.059 0.004 0.000 0.901 18 L HN 0.450 nan 8.230 nan 0.000 0.433 19 A N -0.482 122.332 122.820 -0.010 0.000 1.898 19 A HA -0.132 4.188 4.320 -0.001 0.000 0.216 19 A C 2.299 179.864 177.584 -0.033 0.000 1.181 19 A CA 1.591 53.617 52.037 -0.017 0.000 0.620 19 A CB -0.730 18.260 19.000 -0.017 0.000 0.819 19 A HN 0.192 nan 8.150 nan 0.000 0.442 20 V N -0.170 119.719 119.914 -0.041 0.000 2.343 20 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 20 V C 3.011 179.090 176.094 -0.026 0.000 1.051 20 V CA 1.935 64.209 62.300 -0.043 0.000 1.036 20 V CB -1.233 30.561 31.823 -0.047 0.000 0.654 20 V HN 0.619 nan 8.190 nan 0.000 0.451 21 A N 0.272 123.079 122.820 -0.021 0.000 1.841 21 A HA -0.188 4.132 4.320 -0.001 0.000 0.214 21 A C 2.325 179.891 177.584 -0.029 0.000 1.195 21 A CA 1.671 53.694 52.037 -0.024 0.000 0.611 21 A CB -0.545 18.441 19.000 -0.024 0.000 0.835 21 A HN 0.470 nan 8.150 nan 0.000 0.443 22 R N -0.513 119.972 120.500 -0.025 0.000 2.200 22 R HA -0.097 4.243 4.340 -0.001 0.000 0.234 22 R C 1.810 178.088 176.300 -0.036 0.000 1.127 22 R CA 0.861 56.945 56.100 -0.026 0.000 0.989 22 R CB -0.468 29.823 30.300 -0.016 0.000 0.869 22 R HN 0.512 nan 8.270 nan 0.000 0.459 23 G N -0.411 108.366 108.800 -0.037 0.000 3.124 23 G HA2 0.165 4.124 3.960 -0.001 0.000 0.212 23 G HA3 0.165 4.124 3.960 -0.001 0.000 0.212 23 G C 0.707 175.584 174.900 -0.039 0.000 1.181 23 G CA 0.233 45.306 45.100 -0.045 0.000 0.803 23 G HN 0.420 nan 8.290 nan 0.000 0.529 24 G N -0.930 107.849 108.800 -0.035 0.000 2.225 24 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.264 24 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.264 24 G C -0.178 174.710 174.900 -0.019 0.000 1.060 24 G CA 0.205 45.286 45.100 -0.032 0.000 0.833 24 G HN 0.459 nan 8.290 nan 0.000 0.498 25 L N -0.298 120.920 121.223 -0.008 0.000 2.370 25 L HA 0.572 4.912 4.340 -0.001 0.000 0.266 25 L C 0.402 177.312 176.870 0.067 0.000 1.002 25 L CA -1.364 53.493 54.840 0.030 0.000 0.818 25 L CB 1.668 43.746 42.059 0.031 0.000 1.325 25 L HN 0.285 nan 8.230 nan 0.000 0.418 26 H N 1.774 120.873 119.070 0.049 0.000 2.975 26 H HA 0.171 4.727 4.556 -0.001 0.000 0.303 26 H C -0.773 174.665 175.328 0.183 0.000 1.023 26 H CA 0.223 56.333 56.048 0.103 0.000 1.473 26 H CB 0.790 30.593 29.762 0.068 0.000 1.498 26 H HN 0.621 nan 8.280 nan 0.000 0.549 27 C N 6.309 125.857 119.300 0.413 0.000 2.563 27 C HA 0.528 4.988 4.460 -0.001 0.000 0.314 27 C C -0.964 174.101 174.990 0.124 0.000 1.199 27 C CA -0.940 58.209 59.018 0.218 0.000 1.564 27 C CB 0.275 28.060 27.740 0.075 0.000 2.173 27 C HN 0.750 nan 8.230 nan 0.000 0.485 28 L N 6.149 127.286 121.223 -0.144 0.000 2.345 28 L HA 0.641 4.981 4.340 -0.001 0.000 0.274 28 L C -0.879 175.865 176.870 -0.210 0.000 0.999 28 L CA -0.268 54.352 54.840 -0.366 0.000 0.849 28 L CB 1.266 42.712 42.059 -1.020 0.000 1.220 28 L HN 0.734 nan 8.230 nan 0.000 0.422 29 L N 6.665 127.809 121.223 -0.133 0.000 2.283 29 L HA 0.501 4.840 4.340 -0.001 0.000 0.287 29 L C -0.673 176.137 176.870 -0.100 0.000 1.073 29 L CA 0.391 55.173 54.840 -0.097 0.000 0.822 29 L CB 0.284 42.303 42.059 -0.068 0.000 1.186 29 L HN 0.524 nan 8.230 nan 0.000 0.436 30 I N 4.562 125.073 120.570 -0.097 0.000 2.336 30 I HA 0.446 4.616 4.170 -0.001 0.000 0.292 30 I C 0.143 176.212 176.117 -0.079 0.000 0.991 30 I CA -0.213 61.034 61.300 -0.088 0.000 1.227 30 I CB 1.677 39.627 38.000 -0.084 0.000 1.366 30 I HN 0.601 nan 8.210 nan 0.000 0.466 31 T N 2.350 116.854 114.554 -0.083 0.000 2.932 31 T HA 0.219 4.568 4.350 -0.001 0.000 0.318 31 T C 0.692 175.325 174.700 -0.113 0.000 1.265 31 T CA -0.527 61.515 62.100 -0.098 0.000 1.036 31 T CB 1.609 70.426 68.868 -0.086 0.000 1.209 31 T HN 0.518 nan 8.240 nan 0.000 0.484 32 S N 2.420 118.024 115.700 -0.161 0.000 2.423 32 S HA 0.063 4.532 4.470 -0.001 0.000 0.231 32 S C 0.357 174.874 174.600 -0.137 0.000 1.014 32 S CA 0.721 58.819 58.200 -0.170 0.000 0.965 32 S CB -0.148 62.889 63.200 -0.271 0.000 0.785 32 S HN 0.779 nan 8.310 nan 0.000 0.495 33 D N -0.678 119.646 120.400 -0.127 0.000 2.470 33 D HA 0.335 4.975 4.640 -0.001 0.000 0.233 33 D C 0.004 176.266 176.300 -0.062 0.000 1.372 33 D CA -0.385 53.564 54.000 -0.085 0.000 0.994 33 D CB 0.793 41.546 40.800 -0.079 0.000 1.377 33 D HN -0.181 nan 8.370 nan 0.000 0.586 34 L N 1.931 123.123 121.223 -0.052 0.000 2.291 34 L HA 0.024 4.364 4.340 -0.001 0.000 0.214 34 L C 2.125 178.975 176.870 -0.033 0.000 1.120 34 L CA 1.074 55.887 54.840 -0.045 0.000 0.799 34 L CB -0.267 41.765 42.059 -0.045 0.000 0.925 34 L HN 0.353 nan 8.230 nan 0.000 0.446 35 S N -0.447 115.238 115.700 -0.025 0.000 2.500 35 S HA -0.047 4.423 4.470 -0.001 0.000 0.239 35 S C 1.543 176.140 174.600 -0.004 0.000 0.989 35 S CA 0.925 59.118 58.200 -0.013 0.000 0.951 35 S CB -0.230 62.965 63.200 -0.008 0.000 0.759 35 S HN 0.441 nan 8.310 nan 0.000 0.523 36 A N 0.932 123.747 122.820 -0.008 0.000 2.606 36 A HA 0.496 4.816 4.320 -0.001 0.000 0.290 36 A C 0.538 178.119 177.584 -0.006 0.000 1.174 36 A CA -0.471 51.571 52.037 0.008 0.000 0.958 36 A CB -0.061 18.957 19.000 0.031 0.000 1.194 36 A HN 0.348 nan 8.150 nan 0.000 0.526 37 V N -1.863 118.035 119.914 -0.026 0.000 2.763 37 V HA 0.450 4.570 4.120 -0.001 0.000 0.306 37 V C 0.954 177.010 176.094 -0.064 0.000 1.059 37 V CA 0.253 62.524 62.300 -0.048 0.000 1.138 37 V CB 0.178 31.969 31.823 -0.054 0.000 0.940 37 V HN 1.967 nan 8.190 nan 0.000 0.489 38 A N 2.648 125.381 122.820 -0.145 0.000 2.744 38 A HA -0.287 4.032 4.320 -0.001 0.000 0.300 38 A C 1.041 178.508 177.584 -0.196 0.000 1.512 38 A CA 1.578 53.434 52.037 -0.302 0.000 0.851 38 A CB -1.930 16.995 19.000 -0.124 0.000 0.987 38 A HN 1.498 nan 8.150 nan 0.000 0.507 39 R N -0.421 120.021 120.500 -0.097 0.000 2.570 39 R HA 0.315 4.655 4.340 -0.001 0.000 0.277 39 R C 0.576 176.859 176.300 -0.029 0.000 1.039 39 R CA 0.169 56.259 56.100 -0.016 0.000 1.065 39 R CB 0.086 30.411 30.300 0.041 0.000 0.964 39 R HN 0.526 nan 8.270 nan 0.000 0.428 40 M N 4.674 124.221 119.600 -0.087 0.000 2.664 40 M HA 0.105 4.584 4.480 -0.001 0.000 0.332 40 M C 0.786 177.113 176.300 0.045 0.000 1.354 40 M CA -0.167 55.012 55.300 -0.200 0.000 1.399 40 M CB 1.303 33.652 32.600 -0.419 0.000 1.224 40 M HN 0.698 nan 8.290 nan 0.000 0.479 41 S N 0.374 116.173 115.700 0.165 0.000 2.400 41 S HA -0.121 4.348 4.470 -0.001 0.000 0.232 41 S C 1.356 176.051 174.600 0.159 0.000 1.025 41 S CA 0.936 59.231 58.200 0.158 0.000 0.993 41 S CB 0.003 63.285 63.200 0.136 0.000 0.808 41 S HN 0.866 nan 8.310 nan 0.000 0.478 42 C N 0.714 120.136 119.300 0.203 0.000 2.982 42 C HA 0.356 4.815 4.460 -0.001 0.000 0.091 42 C C 0.567 175.579 174.990 0.037 0.000 2.445 42 C CA -0.635 58.475 59.018 0.153 0.000 1.201 42 C CB -0.622 27.135 27.740 0.028 0.000 2.073 42 C HN 0.379 nan 8.230 nan 0.000 0.508 43 N N 2.146 120.745 118.700 -0.169 0.000 2.458 43 N HA 0.127 4.867 4.740 -0.001 0.000 0.258 43 N C -2.319 172.949 175.510 -0.403 0.000 1.219 43 N CA -0.176 52.511 53.050 -0.605 0.000 0.902 43 N CB 0.940 39.192 38.487 -0.392 0.000 1.076 43 N HN 0.446 nan 8.380 nan 0.000 0.455 44 P HA 0.223 nan 4.420 nan 0.000 0.228 44 P C -1.257 175.865 177.300 -0.296 0.000 1.764 44 P CA -0.032 62.865 63.100 -0.339 0.000 0.929 44 P CB 0.022 31.555 31.700 -0.279 0.000 1.675 45 A N 0.296 122.951 122.820 -0.276 0.000 2.606 45 A HA 0.756 5.076 4.320 -0.001 0.000 0.293 45 A C -1.424 176.024 177.584 -0.228 0.000 1.082 45 A CA -0.626 51.251 52.037 -0.267 0.000 0.685 45 A CB 1.242 20.084 19.000 -0.264 0.000 1.284 45 A HN 0.083 nan 8.150 nan 0.000 0.408 46 I N 1.008 121.412 120.570 -0.277 0.000 2.498 46 I HA 0.646 4.816 4.170 -0.001 0.000 0.290 46 I C 0.625 176.642 176.117 -0.166 0.000 1.032 46 I CA 0.505 61.655 61.300 -0.250 0.000 1.073 46 I CB 2.107 39.887 38.000 -0.367 0.000 1.251 46 I HN 1.537 nan 8.210 nan 0.000 0.426 47 G N 3.752 112.519 108.800 -0.056 0.000 2.447 47 G HA2 0.399 4.359 3.960 -0.001 0.000 0.220 47 G HA3 0.399 4.359 3.960 -0.001 0.000 0.220 47 G C -0.233 174.648 174.900 -0.033 0.000 1.261 47 G CA -0.126 45.018 45.100 0.075 0.000 1.000 47 G HN 1.566 nan 8.290 nan 0.000 0.515 48 G N -3.123 105.656 108.800 -0.036 0.000 2.318 48 G HA2 0.328 4.288 3.960 -0.001 0.000 0.367 48 G HA3 0.328 4.288 3.960 -0.001 0.000 0.367 48 G C 0.910 175.767 174.900 -0.071 0.000 1.260 48 G CA 0.743 45.792 45.100 -0.084 0.000 1.055 48 G HN 1.924 nan 8.290 nan 0.000 0.484 49 V N 0.765 120.647 119.914 -0.053 0.000 2.217 49 V HA -0.044 4.076 4.120 -0.001 0.000 0.248 49 V C 3.351 179.421 176.094 -0.040 0.000 1.050 49 V CA 4.158 66.447 62.300 -0.018 0.000 1.007 49 V CB -1.284 30.570 31.823 0.052 0.000 0.639 49 V HN 1.907 nan 8.190 nan 0.000 0.452 50 A N -1.300 121.510 122.820 -0.018 0.000 2.147 50 A HA 0.008 4.328 4.320 -0.001 0.000 0.211 50 A C 2.130 179.624 177.584 -0.149 0.000 1.160 50 A CA 0.780 52.766 52.037 -0.085 0.000 0.781 50 A CB -0.243 18.796 19.000 0.064 0.000 0.842 50 A HN 0.566 nan 8.150 nan 0.000 0.475 51 K N -0.158 120.196 120.400 -0.076 0.000 2.155 51 K HA -0.027 4.292 4.320 -0.001 0.000 0.203 51 K C 2.065 178.655 176.600 -0.015 0.000 1.052 51 K CA 0.949 57.207 56.287 -0.048 0.000 0.948 51 K CB -0.279 32.188 32.500 -0.055 0.000 0.728 51 K HN 0.417 nan 8.250 nan 0.000 0.448 52 G N 1.316 110.096 108.800 -0.035 0.000 2.459 52 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.217 52 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.217 52 G C 1.366 176.218 174.900 -0.080 0.000 1.183 52 G CA 0.716 45.805 45.100 -0.018 0.000 0.776 52 G HN 0.204 nan 8.290 nan 0.000 0.552 53 Q N -0.166 119.514 119.800 -0.200 0.000 2.084 53 Q HA 0.033 4.372 4.340 -0.001 0.000 0.202 53 Q C 2.416 178.351 176.000 -0.108 0.000 0.978 53 Q CA 1.075 56.737 55.803 -0.234 0.000 0.844 53 Q CB -0.363 27.949 28.738 -0.709 0.000 0.898 53 Q HN 0.613 nan 8.270 nan 0.000 0.426 54 I N -0.158 120.345 120.570 -0.112 0.000 2.493 54 I HA -0.236 3.934 4.170 -0.001 0.000 0.254 54 I C 1.165 177.339 176.117 0.095 0.000 1.160 54 I CA 1.068 62.388 61.300 0.034 0.000 1.445 54 I CB 0.052 38.085 38.000 0.054 0.000 1.086 54 I HN 0.215 nan 8.210 nan 0.000 0.433 55 T N 0.955 115.577 114.554 0.112 0.000 2.701 55 T HA -0.107 4.243 4.350 -0.001 0.000 0.263 55 T C 1.959 176.783 174.700 0.208 0.000 1.040 55 T CA 1.106 63.316 62.100 0.183 0.000 1.147 55 T CB -0.234 68.822 68.868 0.315 0.000 0.865 55 T HN 0.373 nan 8.240 nan 0.000 0.426 56 R N 1.155 121.766 120.500 0.184 0.000 2.105 56 R HA -0.079 4.261 4.340 -0.001 0.000 0.239 56 R C 2.428 178.895 176.300 0.277 0.000 1.135 56 R CA 1.286 57.485 56.100 0.165 0.000 0.967 56 R CB -0.288 30.057 30.300 0.076 0.000 0.861 56 R HN 0.586 nan 8.270 nan 0.000 0.442 57 E N 0.579 120.912 120.200 0.221 0.000 2.106 57 E HA -0.133 4.217 4.350 -0.001 0.000 0.192 57 E C 2.043 178.755 176.600 0.187 0.000 0.984 57 E CA 0.840 57.367 56.400 0.212 0.000 0.806 57 E CB -0.105 29.707 29.700 0.186 0.000 0.750 57 E HN 0.313 nan 8.360 nan 0.000 0.458 58 I N 1.252 121.924 120.570 0.170 0.000 2.226 58 I HA -0.283 3.886 4.170 -0.001 0.000 0.245 58 I C 2.211 178.425 176.117 0.162 0.000 1.100 58 I CA 1.390 62.781 61.300 0.150 0.000 1.374 58 I CB -0.159 37.924 38.000 0.137 0.000 1.057 58 I HN 0.074 nan 8.210 nan 0.000 0.413 59 D N 0.709 121.227 120.400 0.196 0.000 2.084 59 D HA -0.195 4.445 4.640 -0.001 0.000 0.194 59 D C 2.228 178.682 176.300 0.257 0.000 0.990 59 D CA 1.565 55.697 54.000 0.220 0.000 0.826 59 D CB -0.004 40.936 40.800 0.233 0.000 0.971 59 D HN 0.297 nan 8.370 nan 0.000 0.453 60 A N -0.046 122.966 122.820 0.320 0.000 1.948 60 A HA -0.157 4.162 4.320 -0.001 0.000 0.220 60 A C 2.220 179.875 177.584 0.119 0.000 1.177 60 A CA 1.174 53.334 52.037 0.206 0.000 0.636 60 A CB -0.805 18.290 19.000 0.158 0.000 0.815 60 A HN 0.402 nan 8.150 nan 0.000 0.449 61 L N -1.740 119.558 121.223 0.124 0.000 2.554 61 L HA 0.202 4.542 4.340 -0.001 0.000 0.226 61 L C 1.475 178.395 176.870 0.083 0.000 1.137 61 L CA 0.568 55.463 54.840 0.093 0.000 0.863 61 L CB -0.034 42.079 42.059 0.091 0.000 0.985 61 L HN 0.613 nan 8.230 nan 0.000 0.451 62 G N -0.079 108.780 108.800 0.099 0.000 2.173 62 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.174 62 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.174 62 G C 0.278 175.225 174.900 0.079 0.000 1.025 62 G CA -0.314 44.836 45.100 0.084 0.000 0.706 62 G HN 0.461 nan 8.290 nan 0.000 0.499 63 G N -1.185 107.673 108.800 0.096 0.000 2.511 63 G HA2 0.599 4.559 3.960 -0.001 0.000 0.316 63 G HA3 0.599 4.559 3.960 -0.001 0.000 0.316 63 G C 0.570 175.528 174.900 0.098 0.000 1.210 63 G CA -0.037 45.118 45.100 0.092 0.000 0.969 63 G HN 0.041 nan 8.290 nan 0.000 0.492 64 E N 0.049 120.306 120.200 0.095 0.000 2.190 64 E HA -0.041 4.309 4.350 -0.001 0.000 0.191 64 E C 2.349 179.000 176.600 0.085 0.000 0.978 64 E CA 0.149 56.612 56.400 0.104 0.000 0.839 64 E CB -0.110 29.657 29.700 0.111 0.000 0.787 64 E HN 0.590 nan 8.360 nan 0.000 0.473 65 M N 0.209 119.867 119.600 0.097 0.000 2.144 65 M HA -0.156 4.324 4.480 -0.001 0.000 0.260 65 M C 1.890 178.200 176.300 0.016 0.000 1.067 65 M CA 2.135 57.493 55.300 0.096 0.000 1.095 65 M CB -0.270 32.411 32.600 0.135 0.000 1.365 65 M HN 0.098 nan 8.290 nan 0.000 0.406 66 G N 0.412 109.241 108.800 0.049 0.000 2.453 66 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.215 66 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.215 66 G C 1.470 176.370 174.900 -0.000 0.000 1.201 66 G CA 1.104 46.240 45.100 0.059 0.000 0.784 66 G HN 0.489 nan 8.290 nan 0.000 0.545 67 K N 0.679 121.079 120.400 0.001 0.000 2.057 67 K HA 0.050 4.370 4.320 -0.001 0.000 0.207 67 K C 2.917 179.342 176.600 -0.292 0.000 1.049 67 K CA 1.029 57.287 56.287 -0.049 0.000 0.931 67 K CB -0.262 32.274 32.500 0.059 0.000 0.714 67 K HN 0.264 nan 8.250 nan 0.000 0.440 68 A N 1.208 123.780 122.820 -0.415 0.000 1.908 68 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 68 A C 2.135 179.396 177.584 -0.538 0.000 1.181 68 A CA 1.453 52.953 52.037 -0.896 0.000 0.627 68 A CB -0.424 18.132 19.000 -0.739 0.000 0.818 68 A HN 0.303 nan 8.150 nan 0.000 0.445 69 I N -0.522 119.896 120.570 -0.252 0.000 2.617 69 I HA -0.077 4.092 4.170 -0.001 0.000 0.256 69 I C 1.153 177.256 176.117 -0.024 0.000 1.167 69 I CA 1.279 62.464 61.300 -0.192 0.000 1.469 69 I CB -0.170 37.548 38.000 -0.469 0.000 1.098 69 I HN 0.172 nan 8.210 nan 0.000 0.436 70 D N 0.700 121.107 120.400 0.012 0.000 2.183 70 D HA -0.000 4.639 4.640 -0.001 0.000 0.203 70 D C 2.215 178.529 176.300 0.024 0.000 0.969 70 D CA 1.296 55.376 54.000 0.134 0.000 0.842 70 D CB -0.045 40.777 40.800 0.036 0.000 0.957 70 D HN 0.437 nan 8.370 nan 0.000 0.484 71 A N -0.398 122.334 122.820 -0.148 0.000 2.014 71 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 71 A C 1.862 179.382 177.584 -0.106 0.000 1.163 71 A CA 1.281 53.212 52.037 -0.178 0.000 0.652 71 A CB 0.063 18.789 19.000 -0.456 0.000 0.808 71 A HN 0.168 nan 8.150 nan 0.000 0.449 72 T N -0.731 113.761 114.554 -0.102 0.000 3.111 72 T HA 0.315 4.665 4.350 -0.001 0.000 0.284 72 T C 0.868 175.566 174.700 -0.002 0.000 0.983 72 T CA 0.198 62.271 62.100 -0.045 0.000 0.900 72 T CB 0.432 69.256 68.868 -0.072 0.000 1.132 72 T HN 0.472 nan 8.240 nan 0.000 0.531 73 G N 0.601 109.435 108.800 0.057 0.000 2.554 73 G HA2 0.443 4.403 3.960 -0.001 0.000 0.238 73 G HA3 0.443 4.403 3.960 -0.001 0.000 0.238 73 G C 0.493 175.418 174.900 0.042 0.000 1.259 73 G CA -0.164 44.920 45.100 -0.027 0.000 0.843 73 G HN 0.375 nan 8.290 nan 0.000 0.582 74 I N -0.497 120.031 120.570 -0.071 0.000 3.812 74 I HA 0.162 4.332 4.170 -0.001 0.000 0.292 74 I C 0.851 176.976 176.117 0.013 0.000 1.206 74 I CA 0.303 61.597 61.300 -0.010 0.000 1.370 74 I CB 0.516 38.494 38.000 -0.037 0.000 1.328 74 I HN 0.641 nan 8.210 nan 0.000 0.453 75 Q N 0.404 120.164 119.800 -0.067 0.000 2.305 75 Q HA 0.429 4.768 4.340 -0.001 0.000 0.271 75 Q C -1.724 174.220 176.000 -0.092 0.000 1.046 75 Q CA -0.542 55.259 55.803 -0.003 0.000 0.798 75 Q CB 1.807 30.529 28.738 -0.027 0.000 1.286 75 Q HN -0.068 nan 8.270 nan 0.000 0.435 76 F N 1.695 121.639 119.950 -0.009 0.000 2.420 76 F HA 0.619 5.145 4.527 -0.001 0.000 0.342 76 F C 0.148 175.938 175.800 -0.016 0.000 1.113 76 F CA -0.477 57.527 58.000 0.007 0.000 1.059 76 F CB 1.945 40.955 39.000 0.016 0.000 1.128 76 F HN 0.585 nan 8.300 nan 0.000 0.475 77 R N 3.647 124.207 120.500 0.101 0.000 2.510 77 R HA 0.452 4.792 4.340 -0.001 0.000 0.287 77 R C -1.398 174.902 176.300 0.000 0.000 1.084 77 R CA -0.914 55.206 56.100 0.034 0.000 0.934 77 R CB 1.448 31.737 30.300 -0.018 0.000 1.201 77 R HN 0.693 nan 8.270 nan 0.000 0.431 78 M N 5.304 124.903 119.600 -0.002 0.000 2.162 78 M HA 0.341 4.820 4.480 -0.001 0.000 0.356 78 M C -1.360 174.932 176.300 -0.013 0.000 1.303 78 M CA 0.008 55.293 55.300 -0.025 0.000 1.116 78 M CB 0.706 33.310 32.600 0.007 0.000 1.632 78 M HN 0.510 nan 8.290 nan 0.000 0.469 79 L N 5.420 126.619 121.223 -0.040 0.000 2.357 79 L HA 0.425 4.764 4.340 -0.001 0.000 0.273 79 L C 0.193 177.028 176.870 -0.058 0.000 1.080 79 L CA -0.859 53.950 54.840 -0.052 0.000 0.803 79 L CB 0.693 42.707 42.059 -0.075 0.000 1.174 79 L HN 0.848 nan 8.230 nan 0.000 0.443 80 N N 1.555 120.208 118.700 -0.079 0.000 2.663 80 N HA -0.184 4.555 4.740 -0.001 0.000 0.263 80 N C 0.619 175.980 175.510 -0.247 0.000 1.109 80 N CA 0.553 53.521 53.050 -0.138 0.000 0.701 80 N CB -0.698 37.700 38.487 -0.150 0.000 0.879 80 N HN 0.614 nan 8.380 nan 0.000 0.550 81 R N 0.152 120.581 120.500 -0.119 0.000 2.075 81 R HA 0.134 4.474 4.340 -0.001 0.000 0.226 81 R C 1.701 177.965 176.300 -0.060 0.000 1.114 81 R CA 1.459 57.535 56.100 -0.039 0.000 0.972 81 R CB 0.075 30.406 30.300 0.051 0.000 0.869 81 R HN 0.302 nan 8.270 nan 0.000 0.437 82 S N 0.606 116.270 115.700 -0.061 0.000 2.453 82 S HA 0.003 4.473 4.470 -0.001 0.000 0.231 82 S C 0.425 174.989 174.600 -0.059 0.000 1.005 82 S CA 0.745 58.927 58.200 -0.029 0.000 0.949 82 S CB 0.064 63.254 63.200 -0.017 0.000 0.774 82 S HN 0.165 nan 8.310 nan 0.000 0.510 83 K N 1.357 121.669 120.400 -0.147 0.000 2.318 83 K HA 0.415 4.735 4.320 -0.001 0.000 0.243 83 K C 0.852 177.340 176.600 -0.187 0.000 1.047 83 K CA -0.265 55.934 56.287 -0.145 0.000 0.937 83 K CB -0.369 32.039 32.500 -0.153 0.000 1.225 83 K HN 0.180 nan 8.250 nan 0.000 0.506 84 G N 0.324 109.063 108.800 -0.101 0.000 2.580 84 G HA2 0.213 4.173 3.960 -0.001 0.000 0.278 84 G HA3 0.213 4.173 3.960 -0.001 0.000 0.278 84 G C -1.755 173.159 174.900 0.023 0.000 1.212 84 G CA -1.251 43.842 45.100 -0.012 0.000 0.939 84 G HN 0.185 nan 8.290 nan 0.000 0.513 85 P HA -0.212 nan 4.420 nan 0.000 0.218 85 P C 1.882 179.198 177.300 0.026 0.000 1.150 85 P CA 2.240 65.394 63.100 0.091 0.000 0.841 85 P CB 0.199 31.753 31.700 -0.244 0.000 0.784 86 A N -2.034 120.744 122.820 -0.069 0.000 2.067 86 A HA -0.070 4.250 4.320 -0.001 0.000 0.217 86 A C 1.983 179.590 177.584 0.039 0.000 1.156 86 A CA 1.279 53.310 52.037 -0.010 0.000 0.683 86 A CB -0.884 18.091 19.000 -0.042 0.000 0.808 86 A HN 0.061 nan 8.150 nan 0.000 0.455 87 M N -0.822 118.773 119.600 -0.009 0.000 2.516 87 M HA 0.116 4.596 4.480 -0.001 0.000 0.259 87 M C -0.070 176.201 176.300 -0.049 0.000 1.146 87 M CA 0.267 55.541 55.300 -0.042 0.000 1.122 87 M CB -1.077 31.457 32.600 -0.110 0.000 1.341 87 M HN 0.415 nan 8.290 nan 0.000 0.478 88 H N 0.959 120.044 119.070 0.025 0.000 3.145 88 H HA 0.086 4.641 4.556 -0.001 0.000 0.288 88 H C -0.219 175.134 175.328 0.042 0.000 0.969 88 H CA 0.590 56.667 56.048 0.048 0.000 1.444 88 H CB 0.236 30.068 29.762 0.116 0.000 1.500 88 H HN 0.025 nan 8.280 nan 0.000 0.552 89 S N 6.538 122.261 115.700 0.038 0.000 2.756 89 S HA 0.231 4.701 4.470 -0.001 0.000 0.303 89 S C -2.646 171.851 174.600 -0.172 0.000 1.135 89 S CA -1.418 56.736 58.200 -0.077 0.000 1.066 89 S CB 1.649 64.810 63.200 -0.065 0.000 1.008 89 S HN 0.477 nan 8.310 nan 0.000 0.482 90 P HA 0.377 nan 4.420 nan 0.000 0.276 90 P C -0.672 176.518 177.300 -0.183 0.000 1.230 90 P CA -0.487 62.332 63.100 -0.468 0.000 0.776 90 P CB 0.700 31.775 31.700 -1.042 0.000 0.888 91 R N 1.912 122.417 120.500 0.008 0.000 2.561 91 R HA 0.695 5.034 4.340 -0.001 0.000 0.266 91 R C -2.087 174.227 176.300 0.023 0.000 1.091 91 R CA -0.606 55.571 56.100 0.128 0.000 0.927 91 R CB 1.460 31.735 30.300 -0.042 0.000 1.240 91 R HN 0.531 nan 8.270 nan 0.000 0.449 92 A N 3.211 125.948 122.820 -0.138 0.000 2.475 92 A HA 0.501 4.821 4.320 -0.001 0.000 0.301 92 A C -1.289 176.040 177.584 -0.425 0.000 1.059 92 A CA -0.832 50.904 52.037 -0.501 0.000 0.710 92 A CB 2.083 20.337 19.000 -1.243 0.000 1.288 92 A HN 0.588 nan 8.150 nan 0.000 0.408 93 Q N 0.599 120.177 119.800 -0.371 0.000 2.314 93 Q HA 0.516 4.856 4.340 -0.001 0.000 0.258 93 Q C 0.135 175.967 176.000 -0.279 0.000 0.954 93 Q CA 0.153 55.793 55.803 -0.272 0.000 0.890 93 Q CB 1.552 30.184 28.738 -0.177 0.000 1.210 93 Q HN 0.849 nan 8.270 nan 0.000 0.410 94 A N 2.278 124.954 122.820 -0.239 0.000 2.306 94 A HA 0.237 4.557 4.320 -0.001 0.000 0.330 94 A C -0.266 177.258 177.584 -0.100 0.000 1.146 94 A CA -0.636 51.294 52.037 -0.178 0.000 0.827 94 A CB 0.717 19.578 19.000 -0.231 0.000 1.178 94 A HN 0.679 nan 8.150 nan 0.000 0.490 95 D N 1.565 121.944 120.400 -0.035 0.000 2.374 95 D HA 0.094 4.734 4.640 -0.001 0.000 0.240 95 D C 0.798 177.109 176.300 0.017 0.000 1.229 95 D CA -0.077 53.921 54.000 -0.003 0.000 0.895 95 D CB 0.562 41.373 40.800 0.018 0.000 1.046 95 D HN 0.488 nan 8.370 nan 0.000 0.498 96 K N 1.433 121.823 120.400 -0.017 0.000 2.034 96 K HA -0.202 4.117 4.320 -0.001 0.000 0.214 96 K C 1.861 178.487 176.600 0.043 0.000 1.051 96 K CA 1.724 57.995 56.287 -0.026 0.000 0.931 96 K CB -0.439 32.041 32.500 -0.033 0.000 0.715 96 K HN 0.440 nan 8.250 nan 0.000 0.446 97 T N -0.109 114.470 114.554 0.042 0.000 2.821 97 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 97 T C 1.984 176.724 174.700 0.066 0.000 1.046 97 T CA 1.313 63.444 62.100 0.051 0.000 1.139 97 T CB 0.074 68.966 68.868 0.038 0.000 0.871 97 T HN 0.060 nan 8.240 nan 0.000 0.454 98 Q N -0.706 119.135 119.800 0.069 0.000 2.172 98 Q HA 0.085 4.425 4.340 -0.001 0.000 0.200 98 Q C 1.724 177.780 176.000 0.093 0.000 0.964 98 Q CA 1.218 57.063 55.803 0.070 0.000 0.855 98 Q CB -0.580 28.189 28.738 0.053 0.000 0.918 98 Q HN 0.832 nan 8.270 nan 0.000 0.444 99 Y N -0.332 119.956 120.300 -0.020 0.000 2.114 99 Y HA -0.241 4.309 4.550 -0.001 0.000 0.284 99 Y C 2.558 178.469 175.900 0.018 0.000 1.143 99 Y CA 1.941 60.020 58.100 -0.036 0.000 1.135 99 Y CB -0.562 37.835 38.460 -0.106 0.000 0.980 99 Y HN 0.195 nan 8.280 nan 0.000 0.499 100 S N -0.061 115.786 115.700 0.245 0.000 2.370 100 S HA -0.206 4.263 4.470 -0.001 0.000 0.226 100 S C 1.959 176.580 174.600 0.034 0.000 1.033 100 S CA 1.670 59.948 58.200 0.130 0.000 1.011 100 S CB -0.682 62.574 63.200 0.092 0.000 0.852 100 S HN 0.408 nan 8.310 nan 0.000 0.457 101 L N 0.573 121.821 121.223 0.042 0.000 2.012 101 L HA 0.005 4.345 4.340 -0.001 0.000 0.210 101 L C 2.243 179.115 176.870 0.003 0.000 1.073 101 L CA 2.096 56.948 54.840 0.020 0.000 0.748 101 L CB -1.505 40.573 42.059 0.033 0.000 0.891 101 L HN 0.564 nan 8.230 nan 0.000 0.431 102 Y N -1.132 119.096 120.300 -0.119 0.000 2.128 102 Y HA -0.326 4.224 4.550 -0.001 0.000 0.284 102 Y C 2.546 178.345 175.900 -0.169 0.000 1.154 102 Y CA 1.768 59.777 58.100 -0.153 0.000 1.149 102 Y CB -0.045 38.278 38.460 -0.228 0.000 0.976 102 Y HN 0.080 nan 8.280 nan 0.000 0.505 103 M N 0.224 119.808 119.600 -0.026 0.000 2.159 103 M HA -0.203 4.276 4.480 -0.001 0.000 0.263 103 M C 2.327 178.560 176.300 -0.111 0.000 1.063 103 M CA 1.688 56.939 55.300 -0.080 0.000 1.110 103 M CB -1.169 31.372 32.600 -0.099 0.000 1.374 103 M HN 0.364 nan 8.290 nan 0.000 0.411 104 R N -0.084 120.361 120.500 -0.092 0.000 2.066 104 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 104 R C 2.354 178.596 176.300 -0.095 0.000 1.131 104 R CA 1.433 57.484 56.100 -0.081 0.000 0.955 104 R CB -0.131 30.134 30.300 -0.058 0.000 0.851 104 R HN 0.203 nan 8.270 nan 0.000 0.432 105 R N 0.229 120.662 120.500 -0.111 0.000 2.113 105 R HA -0.162 4.178 4.340 -0.001 0.000 0.244 105 R C 2.177 178.474 176.300 -0.006 0.000 1.142 105 R CA 2.051 58.118 56.100 -0.054 0.000 0.953 105 R CB -0.236 29.978 30.300 -0.142 0.000 0.860 105 R HN 0.253 nan 8.270 nan 0.000 0.438 106 I N -0.056 120.394 120.570 -0.201 0.000 2.252 106 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 106 I C 2.367 178.448 176.117 -0.060 0.000 1.102 106 I CA 1.102 62.306 61.300 -0.161 0.000 1.385 106 I CB -1.161 36.689 38.000 -0.250 0.000 1.064 106 I HN 0.047 nan 8.210 nan 0.000 0.414 107 V N 1.056 120.925 119.914 -0.075 0.000 2.343 107 V HA -0.242 3.877 4.120 -0.001 0.000 0.247 107 V C 2.372 178.425 176.094 -0.068 0.000 1.051 107 V CA 1.667 63.932 62.300 -0.058 0.000 1.036 107 V CB -0.640 31.148 31.823 -0.060 0.000 0.654 107 V HN 0.443 nan 8.190 nan 0.000 0.451 108 E N -1.116 119.023 120.200 -0.101 0.000 2.347 108 E HA -0.141 4.209 4.350 -0.001 0.000 0.196 108 E C 1.509 177.943 176.600 -0.276 0.000 1.008 108 E CA 0.679 56.968 56.400 -0.186 0.000 0.852 108 E CB -0.042 29.515 29.700 -0.239 0.000 0.783 108 E HN 0.749 nan 8.360 nan 0.000 0.505 109 H N -0.430 118.592 119.070 -0.080 0.000 2.549 109 H HA 0.154 4.710 4.556 -0.001 0.000 0.279 109 H C -0.240 175.051 175.328 -0.061 0.000 1.018 109 H CA -0.012 55.993 56.048 -0.071 0.000 1.175 109 H CB 0.472 30.182 29.762 -0.087 0.000 1.485 109 H HN -0.110 nan 8.280 nan 0.000 0.543 110 E N 1.069 121.275 120.200 0.010 0.000 2.055 110 E HA 0.155 4.505 4.350 -0.001 0.000 0.274 110 E C -1.797 174.783 176.600 -0.032 0.000 0.949 110 E CA -2.424 53.971 56.400 -0.009 0.000 0.775 110 E CB 1.077 30.767 29.700 -0.017 0.000 1.097 110 E HN 0.070 nan 8.360 nan 0.000 0.404 111 P HA -0.125 nan 4.420 nan 0.000 0.218 111 P C 0.445 177.689 177.300 -0.094 0.000 1.148 111 P CA 0.875 63.942 63.100 -0.055 0.000 0.822 111 P CB 0.348 32.018 31.700 -0.050 0.000 0.784 112 N N -0.548 118.090 118.700 -0.103 0.000 2.396 112 N HA -0.014 4.726 4.740 -0.001 0.000 0.180 112 N C 0.622 176.078 175.510 -0.089 0.000 1.028 112 N CA 0.561 53.509 53.050 -0.169 0.000 0.893 112 N CB -0.287 38.128 38.487 -0.119 0.000 0.967 112 N HN 0.253 nan 8.380 nan 0.000 0.440 113 I N 1.996 122.551 120.570 -0.024 0.000 2.322 113 I HA 0.067 4.236 4.170 -0.001 0.000 0.292 113 I C -0.372 175.777 176.117 0.053 0.000 1.060 113 I CA -0.451 60.864 61.300 0.024 0.000 1.309 113 I CB 0.481 38.475 38.000 -0.011 0.000 1.415 113 I HN -0.249 nan 8.210 nan 0.000 0.492 114 D N 6.971 127.456 120.400 0.141 0.000 2.253 114 D HA 0.590 5.230 4.640 -0.001 0.000 0.249 114 D C -0.241 176.070 176.300 0.020 0.000 1.049 114 D CA -0.180 53.898 54.000 0.131 0.000 0.929 114 D CB 1.536 42.515 40.800 0.298 0.000 1.176 114 D HN 0.281 nan 8.370 nan 0.000 0.437 115 L N 1.177 122.400 121.223 -0.001 0.000 2.342 115 L HA 0.640 4.980 4.340 -0.001 0.000 0.271 115 L C -0.805 176.040 176.870 -0.041 0.000 1.008 115 L CA -1.032 53.786 54.840 -0.038 0.000 0.818 115 L CB 1.662 43.698 42.059 -0.039 0.000 1.296 115 L HN 0.145 nan 8.230 nan 0.000 0.427 116 L N 2.296 123.482 121.223 -0.062 0.000 2.464 116 L HA 0.377 4.717 4.340 -0.001 0.000 0.266 116 L C -0.877 175.959 176.870 -0.058 0.000 0.965 116 L CA -0.243 54.565 54.840 -0.054 0.000 0.833 116 L CB 2.328 44.350 42.059 -0.061 0.000 1.296 116 L HN 0.640 nan 8.230 nan 0.000 0.405 117 Q N 3.951 123.722 119.800 -0.049 0.000 2.456 117 Q HA 0.402 4.742 4.340 -0.001 0.000 0.234 117 Q C -1.478 174.490 176.000 -0.053 0.000 1.061 117 Q CA -0.142 55.628 55.803 -0.055 0.000 0.896 117 Q CB 0.677 29.385 28.738 -0.049 0.000 1.233 117 Q HN 0.657 nan 8.270 nan 0.000 0.506 118 D N 1.196 121.559 120.400 -0.061 0.000 2.665 118 D HA 0.395 5.035 4.640 -0.001 0.000 0.287 118 D C -1.363 174.895 176.300 -0.069 0.000 1.266 118 D CA -0.287 53.680 54.000 -0.056 0.000 0.830 118 D CB 2.218 42.993 40.800 -0.042 0.000 1.356 118 D HN 0.384 nan 8.370 nan 0.000 0.437 119 T N 0.317 114.833 114.554 -0.063 0.000 2.823 119 T HA 0.484 4.834 4.350 -0.001 0.000 0.279 119 T C -0.269 174.404 174.700 -0.046 0.000 0.998 119 T CA -0.545 61.513 62.100 -0.070 0.000 0.994 119 T CB 1.507 70.329 68.868 -0.077 0.000 0.960 119 T HN 0.125 nan 8.240 nan 0.000 0.448 120 V N 4.612 124.500 119.914 -0.043 0.000 2.432 120 V HA 0.238 4.358 4.120 -0.001 0.000 0.271 120 V C 1.080 177.165 176.094 -0.015 0.000 1.046 120 V CA -0.228 62.059 62.300 -0.022 0.000 0.945 120 V CB 0.359 32.172 31.823 -0.017 0.000 0.992 120 V HN 0.897 nan 8.190 nan 0.000 0.471 121 I N 1.845 122.412 120.570 -0.005 0.000 4.025 121 I HA 0.747 4.916 4.170 -0.001 0.000 0.336 121 I C 0.717 176.838 176.117 0.008 0.000 1.390 121 I CA -0.036 61.264 61.300 -0.002 0.000 1.099 121 I CB 0.451 38.450 38.000 -0.001 0.000 1.049 121 I HN 0.601 nan 8.210 nan 0.000 0.394 122 G N 0.477 109.287 108.800 0.015 0.000 2.473 122 G HA2 0.437 4.397 3.960 -0.001 0.000 0.298 122 G HA3 0.437 4.397 3.960 -0.001 0.000 0.298 122 G C -2.037 172.894 174.900 0.052 0.000 1.575 122 G CA -0.489 44.628 45.100 0.029 0.000 0.846 122 G HN -0.049 nan 8.290 nan 0.000 0.585 123 V N 0.950 120.907 119.914 0.072 0.000 2.444 123 V HA 0.814 4.934 4.120 -0.001 0.000 0.294 123 V C -0.011 176.148 176.094 0.108 0.000 1.022 123 V CA -0.429 61.951 62.300 0.134 0.000 0.850 123 V CB 1.584 33.523 31.823 0.194 0.000 0.992 123 V HN 0.945 nan 8.190 nan 0.000 0.426 124 S N 4.750 120.486 115.700 0.059 0.000 2.578 124 S HA 0.914 5.383 4.470 -0.001 0.000 0.283 124 S C -0.238 174.342 174.600 -0.034 0.000 1.195 124 S CA 0.130 58.332 58.200 0.005 0.000 1.050 124 S CB 1.361 64.539 63.200 -0.036 0.000 1.012 124 S HN 1.493 nan 8.310 nan 0.000 0.511 125 A N 3.672 126.489 122.820 -0.006 0.000 2.488 125 A HA 0.661 4.980 4.320 -0.001 0.000 0.298 125 A C -1.371 176.209 177.584 -0.006 0.000 1.044 125 A CA -0.920 51.114 52.037 -0.005 0.000 0.693 125 A CB 1.015 20.067 19.000 0.086 0.000 1.272 125 A HN 0.750 nan 8.150 nan 0.000 0.402 126 N N 0.942 119.629 118.700 -0.022 0.000 2.444 126 N HA 0.508 5.247 4.740 -0.001 0.000 0.262 126 N C -0.140 175.370 175.510 0.002 0.000 0.974 126 N CA 0.163 53.205 53.050 -0.013 0.000 0.933 126 N CB 1.399 39.870 38.487 -0.027 0.000 1.137 126 N HN 0.616 nan 8.380 nan 0.000 0.498 127 S N 1.772 117.475 115.700 0.006 0.000 3.559 127 S HA -0.162 4.307 4.470 -0.001 0.000 0.369 127 S C 1.206 175.813 174.600 0.011 0.000 0.987 127 S CA 0.968 59.172 58.200 0.007 0.000 1.187 127 S CB -1.605 61.597 63.200 0.004 0.000 0.914 127 S HN 1.157 nan 8.310 nan 0.000 0.480 128 G N -0.172 108.639 108.800 0.019 0.000 2.143 128 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.249 128 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.249 128 G C -0.222 174.700 174.900 0.037 0.000 0.981 128 G CA 0.777 45.889 45.100 0.020 0.000 0.665 128 G HN 0.781 nan 8.290 nan 0.000 0.528 129 K N -0.360 120.070 120.400 0.050 0.000 2.378 129 K HA 0.588 4.908 4.320 -0.001 0.000 0.252 129 K C -0.117 176.553 176.600 0.116 0.000 0.931 129 K CA -1.265 55.072 56.287 0.084 0.000 0.794 129 K CB 1.316 33.855 32.500 0.064 0.000 1.181 129 K HN 0.099 nan 8.250 nan 0.000 0.425 130 F N 2.917 122.891 119.950 0.040 0.000 2.629 130 F HA -0.115 4.411 4.527 -0.001 0.000 0.369 130 F C 0.947 176.776 175.800 0.048 0.000 1.125 130 F CA 1.397 59.429 58.000 0.053 0.000 1.330 130 F CB 0.802 39.845 39.000 0.073 0.000 1.071 130 F HN 0.692 nan 8.300 nan 0.000 0.595 131 S N 1.832 116.938 115.700 -0.991 0.000 3.313 131 S HA 0.323 4.792 4.470 -0.001 0.000 0.247 131 S C 0.204 174.191 174.600 -1.022 0.000 1.058 131 S CA 0.356 58.096 58.200 -0.767 0.000 0.794 131 S CB -0.164 62.834 63.200 -0.336 0.000 0.842 131 S HN 0.884 nan 8.310 nan 0.000 0.526 132 S N -0.386 114.781 115.700 -0.888 0.000 2.776 132 S HA 0.827 5.296 4.470 -0.001 0.000 0.292 132 S C -1.602 172.952 174.600 -0.076 0.000 1.187 132 S CA -0.646 57.317 58.200 -0.395 0.000 0.834 132 S CB 1.615 64.712 63.200 -0.170 0.000 1.199 132 S HN 0.622 nan 8.310 nan 0.000 0.514 133 V N 1.137 121.091 119.914 0.066 0.000 2.668 133 V HA 0.561 4.681 4.120 -0.001 0.000 0.304 133 V C -0.795 175.333 176.094 0.057 0.000 1.071 133 V CA -0.423 61.953 62.300 0.126 0.000 0.894 133 V CB 2.190 34.128 31.823 0.191 0.000 1.008 133 V HN 1.056 nan 8.190 nan 0.000 0.425 134 T N 4.815 119.394 114.554 0.043 0.000 2.744 134 T HA 0.498 4.848 4.350 -0.001 0.000 0.291 134 T C 0.033 174.741 174.700 0.014 0.000 0.957 134 T CA -0.252 61.862 62.100 0.022 0.000 1.002 134 T CB 1.179 70.058 68.868 0.018 0.000 0.919 134 T HN 0.680 nan 8.240 nan 0.000 0.468 135 V N 2.547 122.464 119.914 0.006 0.000 3.134 135 V HA 0.498 4.618 4.120 -0.001 0.000 0.313 135 V C 1.831 177.921 176.094 -0.006 0.000 1.069 135 V CA -0.946 61.351 62.300 -0.005 0.000 1.048 135 V CB 0.832 32.649 31.823 -0.010 0.000 1.119 135 V HN 0.817 nan 8.190 nan 0.000 0.461 136 R N 0.785 121.277 120.500 -0.012 0.000 2.103 136 R HA -0.163 4.176 4.340 -0.001 0.000 0.242 136 R C 2.353 178.649 176.300 -0.007 0.000 1.142 136 R CA 2.239 58.332 56.100 -0.011 0.000 0.960 136 R CB -0.536 29.753 30.300 -0.018 0.000 0.858 136 R HN 1.064 nan 8.270 nan 0.000 0.439 137 S N -1.318 114.377 115.700 -0.007 0.000 2.442 137 S HA -0.030 4.439 4.470 -0.001 0.000 0.236 137 S C 1.418 176.018 174.600 -0.001 0.000 1.007 137 S CA 1.119 59.316 58.200 -0.004 0.000 0.965 137 S CB -0.030 63.167 63.200 -0.004 0.000 0.773 137 S HN 0.657 nan 8.310 nan 0.000 0.504 138 G N 0.611 109.411 108.800 0.001 0.000 2.159 138 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.227 138 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.227 138 G C 0.112 175.014 174.900 0.004 0.000 0.986 138 G CA -0.072 45.030 45.100 0.003 0.000 0.651 138 G HN 0.581 nan 8.290 nan 0.000 0.523 139 R N 0.469 120.971 120.500 0.004 0.000 2.694 139 R HA 0.548 4.888 4.340 -0.001 0.000 0.268 139 R C 0.585 176.890 176.300 0.008 0.000 1.061 139 R CA 0.635 56.739 56.100 0.006 0.000 1.133 139 R CB 0.651 30.956 30.300 0.008 0.000 1.020 139 R HN 0.549 nan 8.270 nan 0.000 0.475 140 A N 3.924 126.748 122.820 0.007 0.000 2.304 140 A HA 0.501 4.821 4.320 -0.001 0.000 0.323 140 A C -0.373 177.221 177.584 0.017 0.000 1.195 140 A CA -0.620 51.420 52.037 0.006 0.000 0.826 140 A CB 0.623 19.618 19.000 -0.009 0.000 1.184 140 A HN 0.651 nan 8.150 nan 0.000 0.496 141 I N 1.976 122.563 120.570 0.030 0.000 2.382 141 I HA 0.243 4.413 4.170 -0.001 0.000 0.286 141 I C 0.167 176.326 176.117 0.070 0.000 1.002 141 I CA -0.120 61.214 61.300 0.057 0.000 1.135 141 I CB 1.804 39.835 38.000 0.051 0.000 1.288 141 I HN 0.739 nan 8.210 nan 0.000 0.448 142 Q N 4.712 124.557 119.800 0.075 0.000 2.261 142 Q HA 0.778 5.117 4.340 -0.001 0.000 0.252 142 Q C -0.882 175.199 176.000 0.135 0.000 0.915 142 Q CA -0.447 55.379 55.803 0.039 0.000 0.915 142 Q CB 1.803 30.547 28.738 0.010 0.000 1.204 142 Q HN 0.801 nan 8.270 nan 0.000 0.421 143 A N 2.657 125.567 122.820 0.149 0.000 2.606 143 A HA 0.331 4.650 4.320 -0.001 0.000 0.293 143 A C -0.525 177.278 177.584 0.366 0.000 1.082 143 A CA -0.708 51.516 52.037 0.312 0.000 0.685 143 A CB 1.338 20.598 19.000 0.433 0.000 1.284 143 A HN 0.822 nan 8.150 nan 0.000 0.408 144 K N 0.025 120.605 120.400 0.300 0.000 2.243 144 K HA 0.375 4.695 4.320 -0.001 0.000 0.201 144 K C 0.515 177.337 176.600 0.371 0.000 1.051 144 K CA 1.392 57.838 56.287 0.264 0.000 0.970 144 K CB 0.280 32.871 32.500 0.151 0.000 0.755 144 K HN 0.929 nan 8.250 nan 0.000 0.465 145 A N 0.665 123.667 122.820 0.303 0.000 2.555 145 A HA 0.670 4.989 4.320 -0.001 0.000 0.297 145 A C -1.799 175.646 177.584 -0.231 0.000 1.060 145 A CA -0.701 51.384 52.037 0.079 0.000 0.710 145 A CB 1.674 20.745 19.000 0.119 0.000 1.282 145 A HN 0.073 nan 8.150 nan 0.000 0.399 146 A N 2.440 124.913 122.820 -0.577 0.000 2.356 146 A HA 0.728 5.048 4.320 -0.001 0.000 0.310 146 A C -0.622 176.863 177.584 -0.165 0.000 1.075 146 A CA -0.461 51.275 52.037 -0.502 0.000 0.746 146 A CB 0.628 19.066 19.000 -0.936 0.000 1.221 146 A HN 0.824 nan 8.150 nan 0.000 0.443 147 I N 2.735 123.251 120.570 -0.090 0.000 2.331 147 I HA 0.295 4.464 4.170 -0.001 0.000 0.292 147 I C -0.916 175.209 176.117 0.013 0.000 0.998 147 I CA -0.464 60.850 61.300 0.024 0.000 1.267 147 I CB 0.984 38.970 38.000 -0.023 0.000 1.386 147 I HN 0.412 nan 8.210 nan 0.000 0.476 148 L N 6.080 127.341 121.223 0.063 0.000 2.272 148 L HA 0.533 4.872 4.340 -0.001 0.000 0.289 148 L C 0.366 177.207 176.870 -0.048 0.000 1.032 148 L CA 0.112 54.920 54.840 -0.054 0.000 0.810 148 L CB 1.459 43.381 42.059 -0.229 0.000 1.205 148 L HN 0.776 nan 8.230 nan 0.000 0.422 149 A N 2.962 125.768 122.820 -0.025 0.000 3.216 149 A HA 0.365 4.685 4.320 -0.001 0.000 0.321 149 A C 0.449 178.057 177.584 0.040 0.000 1.042 149 A CA -0.377 51.672 52.037 0.019 0.000 0.838 149 A CB -0.016 19.010 19.000 0.042 0.000 1.136 149 A HN 0.803 nan 8.150 nan 0.000 0.483 150 C N 0.217 119.539 119.300 0.036 0.000 2.791 150 C HA 0.471 4.930 4.460 -0.001 0.000 0.270 150 C C 2.067 177.154 174.990 0.163 0.000 1.257 150 C CA 0.510 59.590 59.018 0.104 0.000 1.699 150 C CB -1.393 26.390 27.740 0.072 0.000 1.904 150 C HN 1.290 nan 8.230 nan 0.000 0.603 151 G N 2.134 110.975 108.800 0.069 0.000 2.634 151 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.309 151 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.309 151 G C 0.857 175.620 174.900 -0.228 0.000 1.265 151 G CA 1.287 46.355 45.100 -0.054 0.000 0.998 151 G HN 0.757 nan 8.290 nan 0.000 0.551 152 T N -2.322 111.941 114.554 -0.484 0.000 3.206 152 T HA 0.519 4.869 4.350 -0.001 0.000 0.253 152 T C 1.534 176.034 174.700 -0.332 0.000 1.042 152 T CA 1.023 62.731 62.100 -0.654 0.000 0.931 152 T CB -0.072 68.335 68.868 -0.768 0.000 1.029 152 T HN 0.359 nan 8.240 nan 0.000 0.564 153 F N 0.703 120.638 119.950 -0.025 0.000 2.512 153 F HA 0.401 4.927 4.527 -0.001 0.000 0.296 153 F C 0.758 176.578 175.800 0.034 0.000 1.110 153 F CA -0.692 57.316 58.000 0.013 0.000 1.446 153 F CB -0.128 38.871 39.000 -0.001 0.000 1.092 153 F HN 0.181 nan 8.300 nan 0.000 0.554 154 L N 2.088 123.428 121.223 0.195 0.000 2.515 154 L HA 0.069 4.409 4.340 -0.001 0.000 0.281 154 L C 0.405 177.330 176.870 0.091 0.000 1.131 154 L CA -0.166 54.740 54.840 0.110 0.000 0.905 154 L CB -1.448 40.637 42.059 0.044 0.000 1.246 154 L HN 0.203 nan 8.230 nan 0.000 0.463 155 N N 2.225 120.975 118.700 0.083 0.000 2.688 155 N HA -0.167 4.572 4.740 -0.001 0.000 0.258 155 N C 0.551 176.131 175.510 0.117 0.000 1.016 155 N CA 0.984 54.082 53.050 0.081 0.000 0.747 155 N CB -0.401 38.114 38.487 0.045 0.000 0.895 155 N HN 0.818 nan 8.380 nan 0.000 0.543 156 G N -0.131 108.754 108.800 0.141 0.000 2.483 156 G HA2 0.483 4.443 3.960 -0.001 0.000 0.248 156 G HA3 0.483 4.443 3.960 -0.001 0.000 0.248 156 G C -0.106 174.866 174.900 0.120 0.000 1.248 156 G CA -0.271 44.917 45.100 0.148 0.000 0.838 156 G HN 0.269 nan 8.290 nan 0.000 0.566 157 L N 1.903 123.199 121.223 0.122 0.000 2.470 157 L HA 0.433 4.772 4.340 -0.001 0.000 0.268 157 L C -0.766 176.114 176.870 0.017 0.000 0.964 157 L CA -0.699 54.167 54.840 0.045 0.000 0.839 157 L CB 1.982 44.056 42.059 0.024 0.000 1.276 157 L HN 0.326 nan 8.230 nan 0.000 0.403 158 I N 3.979 124.505 120.570 -0.073 0.000 2.342 158 I HA 0.288 4.458 4.170 -0.001 0.000 0.291 158 I C -0.217 175.770 176.117 -0.218 0.000 1.010 158 I CA -0.346 60.913 61.300 -0.068 0.000 1.308 158 I CB 0.958 38.894 38.000 -0.108 0.000 1.400 158 I HN 0.516 nan 8.210 nan 0.000 0.488 159 H N 7.328 126.435 119.070 0.062 0.000 2.685 159 H HA 0.464 5.020 4.556 -0.001 0.000 0.307 159 H C -0.489 174.887 175.328 0.081 0.000 1.017 159 H CA -0.374 55.692 56.048 0.030 0.000 1.237 159 H CB 1.802 31.593 29.762 0.049 0.000 1.409 159 H HN 0.419 nan 8.280 nan 0.000 0.488 160 I N 2.856 123.481 120.570 0.091 0.000 2.371 160 I HA 0.239 4.408 4.170 -0.001 0.000 0.282 160 I C 1.210 177.384 176.117 0.095 0.000 1.031 160 I CA -0.200 61.185 61.300 0.142 0.000 1.180 160 I CB 1.183 39.296 38.000 0.188 0.000 1.336 160 I HN 0.835 nan 8.210 nan 0.000 0.467 161 G N 5.571 114.440 108.800 0.115 0.000 2.601 161 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.306 161 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.306 161 G C 0.544 175.502 174.900 0.096 0.000 1.172 161 G CA 0.876 46.031 45.100 0.092 0.000 0.966 161 G HN 0.479 nan 8.290 nan 0.000 0.542 162 M N 2.308 121.951 119.600 0.072 0.000 2.534 162 M HA 0.298 4.777 4.480 -0.001 0.000 0.263 162 M C 0.483 176.832 176.300 0.082 0.000 1.152 162 M CA 1.406 56.755 55.300 0.082 0.000 1.145 162 M CB -0.121 32.516 32.600 0.062 0.000 1.333 162 M HN 0.625 nan 8.290 nan 0.000 0.477 163 D N 0.214 120.600 120.400 -0.023 0.000 2.229 163 D HA 0.363 5.003 4.640 -0.001 0.000 0.249 163 D C -0.420 175.591 176.300 -0.481 0.000 1.027 163 D CA -0.441 53.430 54.000 -0.214 0.000 0.923 163 D CB 0.362 41.030 40.800 -0.220 0.000 1.174 163 D HN 0.326 nan 8.370 nan 0.000 0.443 164 H N -0.915 117.716 119.070 -0.732 0.000 2.856 164 H HA 0.486 5.041 4.556 -0.001 0.000 0.355 164 H C -1.605 173.271 175.328 -0.754 0.000 1.079 164 H CA -1.038 54.489 56.048 -0.868 0.000 1.240 164 H CB 0.193 29.553 29.762 -0.671 0.000 1.701 164 H HN 0.387 nan 8.280 nan 0.000 0.527 165 F N 1.154 121.039 119.950 -0.109 0.000 2.538 165 F HA 0.492 5.018 4.527 -0.001 0.000 0.325 165 F C -2.306 173.460 175.800 -0.058 0.000 1.066 165 F CA -2.646 55.293 58.000 -0.101 0.000 0.946 165 F CB 1.446 40.386 39.000 -0.100 0.000 1.199 165 F HN 0.263 nan 8.300 nan 0.000 0.473 166 P HA 0.374 nan 4.420 nan 0.000 0.269 166 P C -0.454 176.906 177.300 0.100 0.000 1.215 166 P CA -0.115 63.046 63.100 0.103 0.000 0.780 166 P CB 0.747 32.497 31.700 0.084 0.000 0.898 167 G N 0.103 108.959 108.800 0.094 0.000 2.238 167 G HA2 0.369 4.329 3.960 -0.001 0.000 0.276 167 G HA3 0.369 4.329 3.960 -0.001 0.000 0.276 167 G C 0.377 175.348 174.900 0.119 0.000 1.744 167 G CA -0.124 45.033 45.100 0.094 0.000 0.912 167 G HN 0.571 nan 8.290 nan 0.000 0.744 168 G N 0.226 109.157 108.800 0.218 0.000 2.441 168 G HA2 0.160 4.119 3.960 -0.001 0.000 0.212 168 G HA3 0.160 4.119 3.960 -0.001 0.000 0.212 168 G C 1.332 176.050 174.900 -0.305 0.000 1.164 168 G CA 1.355 46.574 45.100 0.198 0.000 0.811 168 G HN 0.731 nan 8.290 nan 0.000 0.535 169 R N -1.042 119.370 120.500 -0.147 0.000 2.191 169 R HA 0.299 4.639 4.340 -0.001 0.000 0.187 169 R C 0.534 176.885 176.300 0.084 0.000 1.078 169 R CA 0.517 56.504 56.100 -0.189 0.000 1.139 169 R CB 0.064 30.291 30.300 -0.121 0.000 1.120 169 R HN 0.269 nan 8.270 nan 0.000 0.536 170 S N -1.081 114.683 115.700 0.107 0.000 2.726 170 S HA 0.143 4.612 4.470 -0.001 0.000 0.308 170 S C 0.878 175.453 174.600 -0.042 0.000 1.115 170 S CA -0.067 58.150 58.200 0.029 0.000 0.965 170 S CB 1.618 64.891 63.200 0.122 0.000 1.145 170 S HN 0.313 nan 8.310 nan 0.000 0.532 171 T N 1.330 115.796 114.554 -0.147 0.000 2.792 171 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 171 T C 1.552 176.237 174.700 -0.025 0.000 1.059 171 T CA 2.188 64.240 62.100 -0.081 0.000 1.136 171 T CB -0.744 68.043 68.868 -0.135 0.000 0.846 171 T HN 0.706 nan 8.240 nan 0.000 0.489 172 A N -0.133 122.688 122.820 0.003 0.000 2.209 172 A HA 0.234 4.554 4.320 -0.001 0.000 0.212 172 A C 0.796 178.412 177.584 0.053 0.000 1.158 172 A CA 0.417 52.468 52.037 0.023 0.000 0.742 172 A CB -0.119 18.903 19.000 0.038 0.000 0.790 172 A HN 0.657 nan 8.150 nan 0.000 0.472 173 E N -0.093 120.165 120.200 0.096 0.000 2.199 173 E HA 0.468 4.818 4.350 -0.001 0.000 0.269 173 E C -2.904 173.772 176.600 0.126 0.000 0.899 173 E CA -2.241 54.244 56.400 0.142 0.000 0.772 173 E CB 1.565 31.473 29.700 0.347 0.000 1.155 173 E HN 0.038 nan 8.360 nan 0.000 0.408 174 P HA 0.166 nan 4.420 nan 0.000 0.276 174 P C -2.495 174.866 177.300 0.101 0.000 1.230 174 P CA -1.334 61.800 63.100 0.057 0.000 0.776 174 P CB 0.127 31.830 31.700 0.005 0.000 0.888 175 P HA 0.089 nan 4.420 nan 0.000 0.277 175 P C -0.720 176.635 177.300 0.092 0.000 1.240 175 P CA -0.118 63.086 63.100 0.174 0.000 0.798 175 P CB 0.601 32.388 31.700 0.145 0.000 0.979 176 V N 2.498 122.471 119.914 0.099 0.000 2.546 176 V HA 0.131 4.250 4.120 -0.001 0.000 0.284 176 V C 1.387 177.503 176.094 0.037 0.000 1.050 176 V CA 0.347 62.670 62.300 0.038 0.000 0.981 176 V CB 0.660 32.500 31.823 0.029 0.000 0.990 176 V HN 0.628 nan 8.190 nan 0.000 0.474 177 E N 2.919 123.129 120.200 0.017 0.000 2.367 177 E HA 0.125 4.474 4.350 -0.001 0.000 0.204 177 E C 2.034 178.634 176.600 0.001 0.000 0.840 177 E CA 0.665 57.073 56.400 0.014 0.000 1.051 177 E CB 0.471 30.183 29.700 0.021 0.000 1.051 177 E HN 0.880 nan 8.360 nan 0.000 0.509 178 G N 1.967 110.768 108.800 0.000 0.000 2.404 178 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.215 178 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.215 178 G C 1.559 176.454 174.900 -0.007 0.000 1.174 178 G CA 0.540 45.640 45.100 0.000 0.000 0.780 178 G HN 0.096 nan 8.290 nan 0.000 0.537 179 L N 0.582 121.799 121.223 -0.010 0.000 2.042 179 L HA -0.020 4.320 4.340 -0.001 0.000 0.210 179 L C 2.904 179.763 176.870 -0.018 0.000 1.076 179 L CA 2.478 57.312 54.840 -0.011 0.000 0.749 179 L CB -0.837 41.215 42.059 -0.012 0.000 0.893 179 L HN 0.210 nan 8.230 nan 0.000 0.432 180 T N -1.155 113.364 114.554 -0.058 0.000 2.788 180 T HA -0.165 4.184 4.350 -0.001 0.000 0.268 180 T C 1.672 176.250 174.700 -0.202 0.000 1.044 180 T CA 1.595 63.597 62.100 -0.163 0.000 1.139 180 T CB -0.042 68.590 68.868 -0.393 0.000 0.867 180 T HN 0.364 nan 8.240 nan 0.000 0.454 181 E N 0.585 120.718 120.200 -0.112 0.000 2.107 181 E HA -0.003 4.347 4.350 -0.001 0.000 0.191 181 E C 2.331 178.957 176.600 0.043 0.000 0.982 181 E CA 0.787 57.176 56.400 -0.017 0.000 0.809 181 E CB -0.379 29.331 29.700 0.015 0.000 0.756 181 E HN 0.336 nan 8.360 nan 0.000 0.459 182 S N -0.447 115.272 115.700 0.032 0.000 2.402 182 S HA -0.088 4.382 4.470 -0.001 0.000 0.229 182 S C 1.700 176.352 174.600 0.086 0.000 1.021 182 S CA 0.654 58.887 58.200 0.055 0.000 0.974 182 S CB -0.047 63.175 63.200 0.038 0.000 0.800 182 S HN 0.107 nan 8.310 nan 0.000 0.484 183 L N 1.415 122.680 121.223 0.070 0.000 2.095 183 L HA 0.266 4.605 4.340 -0.001 0.000 0.204 183 L C 2.771 179.828 176.870 0.312 0.000 1.080 183 L CA 1.442 56.336 54.840 0.091 0.000 0.759 183 L CB -0.967 40.979 42.059 -0.189 0.000 0.914 183 L HN 0.365 nan 8.230 nan 0.000 0.439 184 A N -1.413 121.585 122.820 0.297 0.000 1.940 184 A HA -0.261 4.058 4.320 -0.001 0.000 0.219 184 A C 2.564 180.315 177.584 0.279 0.000 1.176 184 A CA 1.926 54.196 52.037 0.388 0.000 0.631 184 A CB -0.946 18.306 19.000 0.419 0.000 0.814 184 A HN 0.426 nan 8.150 nan 0.000 0.446 185 S N -0.600 115.221 115.700 0.202 0.000 2.400 185 S HA -0.070 4.400 4.470 -0.001 0.000 0.232 185 S C 1.499 176.188 174.600 0.149 0.000 1.025 185 S CA 1.322 59.612 58.200 0.150 0.000 0.993 185 S CB -0.411 62.857 63.200 0.112 0.000 0.808 185 S HN 0.485 nan 8.310 nan 0.000 0.478 186 L N 0.921 122.266 121.223 0.203 0.000 2.627 186 L HA 0.291 4.631 4.340 -0.001 0.000 0.232 186 L C 1.246 178.195 176.870 0.132 0.000 1.150 186 L CA 0.299 55.254 54.840 0.191 0.000 0.917 186 L CB -0.279 41.939 42.059 0.264 0.000 1.104 186 L HN 0.584 nan 8.230 nan 0.000 0.445 187 G N -0.115 108.764 108.800 0.132 0.000 2.255 187 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.239 187 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.239 187 G C -0.329 174.520 174.900 -0.085 0.000 1.083 187 G CA -0.570 44.540 45.100 0.016 0.000 0.826 187 G HN 0.161 nan 8.290 nan 0.000 0.493 188 F N 1.703 121.760 119.950 0.179 0.000 2.467 188 F HA 0.614 5.141 4.527 -0.001 0.000 0.336 188 F C 1.002 177.036 175.800 0.389 0.000 1.123 188 F CA -0.189 57.963 58.000 0.253 0.000 0.964 188 F CB 2.010 41.147 39.000 0.229 0.000 1.136 188 F HN 0.305 nan 8.300 nan 0.000 0.447 189 S N 3.847 119.854 115.700 0.511 0.000 2.601 189 S HA 0.783 5.253 4.470 -0.001 0.000 0.271 189 S C -0.840 174.080 174.600 0.533 0.000 1.305 189 S CA -0.478 57.983 58.200 0.435 0.000 1.022 189 S CB 0.897 64.274 63.200 0.295 0.000 0.940 189 S HN 0.536 nan 8.310 nan 0.000 0.525 190 F N -1.445 118.554 119.950 0.082 0.000 2.619 190 F HA 0.880 5.407 4.527 -0.001 0.000 0.308 190 F C -0.022 175.473 175.800 -0.508 0.000 1.097 190 F CA -0.882 56.827 58.000 -0.484 0.000 0.953 190 F CB 0.965 39.593 39.000 -0.621 0.000 1.287 190 F HN 0.868 nan 8.300 nan 0.000 0.446 191 G N 1.489 109.666 108.800 -1.039 0.000 3.119 191 G HA2 0.792 4.752 3.960 -0.001 0.000 0.206 191 G HA3 0.792 4.752 3.960 -0.001 0.000 0.206 191 G C -1.485 173.241 174.900 -0.291 0.000 1.313 191 G CA -1.388 43.351 45.100 -0.602 0.000 1.010 191 G HN 0.729 nan 8.290 nan 0.000 0.578 192 R N -0.838 119.684 120.500 0.036 0.000 2.621 192 R HA 0.534 4.874 4.340 -0.001 0.000 0.284 192 R C -1.325 174.979 176.300 0.007 0.000 0.998 192 R CA -0.549 55.574 56.100 0.039 0.000 0.895 192 R CB 2.237 32.528 30.300 -0.015 0.000 1.195 192 R HN 0.286 nan 8.270 nan 0.000 0.450 193 L N 2.132 123.157 121.223 -0.330 0.000 2.323 193 L HA 0.589 4.929 4.340 -0.001 0.000 0.265 193 L C -0.597 176.026 176.870 -0.413 0.000 1.012 193 L CA -0.967 53.581 54.840 -0.487 0.000 0.820 193 L CB 2.206 43.806 42.059 -0.765 0.000 1.334 193 L HN 0.395 nan 8.230 nan 0.000 0.427 194 K N 0.785 121.084 120.400 -0.167 0.000 2.345 194 K HA 0.653 4.973 4.320 -0.001 0.000 0.255 194 K C -1.002 175.637 176.600 0.065 0.000 0.934 194 K CA -0.672 55.609 56.287 -0.009 0.000 0.801 194 K CB 2.197 34.661 32.500 -0.060 0.000 1.137 194 K HN 0.637 nan 8.250 nan 0.000 0.424 195 T N -1.542 113.109 114.554 0.161 0.000 2.909 195 T HA 0.678 5.027 4.350 -0.001 0.000 0.299 195 T C -0.001 174.735 174.700 0.060 0.000 1.073 195 T CA -1.019 61.140 62.100 0.099 0.000 0.999 195 T CB 1.822 70.756 68.868 0.111 0.000 1.098 195 T HN 0.560 nan 8.240 nan 0.000 0.477 196 G N 0.074 108.874 108.800 0.000 0.000 2.417 196 G HA2 0.611 4.571 3.960 -0.001 0.000 0.334 196 G HA3 0.611 4.571 3.960 -0.001 0.000 0.334 196 G C -0.894 173.936 174.900 -0.116 0.000 1.150 196 G CA -0.716 44.355 45.100 -0.048 0.000 0.923 196 G HN 0.909 nan 8.290 nan 0.000 0.485 197 T N 1.600 116.011 114.554 -0.238 0.000 2.876 197 T HA 0.720 5.070 4.350 -0.001 0.000 0.289 197 T C -2.640 171.915 174.700 -0.241 0.000 1.014 197 T CA -1.849 60.102 62.100 -0.247 0.000 0.986 197 T CB 2.308 70.966 68.868 -0.351 0.000 1.021 197 T HN 0.347 nan 8.240 nan 0.000 0.458 198 P HA 0.398 nan 4.420 nan 0.000 0.276 198 P C -2.780 174.407 177.300 -0.188 0.000 1.252 198 P CA -1.808 61.180 63.100 -0.187 0.000 0.802 198 P CB -0.110 31.400 31.700 -0.317 0.000 1.035 199 P HA 0.145 nan 4.420 nan 0.000 0.272 199 P C -0.450 176.794 177.300 -0.093 0.000 1.230 199 P CA 0.063 63.137 63.100 -0.043 0.000 0.788 199 P CB 0.562 32.257 31.700 -0.008 0.000 0.949 200 R N 2.078 122.562 120.500 -0.026 0.000 2.589 200 R HA 0.671 5.010 4.340 -0.001 0.000 0.293 200 R C 0.289 176.582 176.300 -0.013 0.000 0.963 200 R CA -0.919 55.177 56.100 -0.006 0.000 0.905 200 R CB 0.946 31.278 30.300 0.054 0.000 1.144 200 R HN 0.592 nan 8.270 nan 0.000 0.459 201 I N -2.370 118.189 120.570 -0.018 0.000 2.892 201 I HA 0.414 4.583 4.170 -0.001 0.000 0.306 201 I C -0.322 175.791 176.117 -0.007 0.000 1.078 201 I CA -1.110 60.171 61.300 -0.032 0.000 1.032 201 I CB 2.311 40.265 38.000 -0.076 0.000 1.229 201 I HN 0.290 nan 8.210 nan 0.000 0.435 202 D N 2.829 123.222 120.400 -0.012 0.000 2.343 202 D HA 0.139 4.778 4.640 -0.001 0.000 0.255 202 D C 0.894 177.197 176.300 0.004 0.000 1.187 202 D CA 0.035 54.037 54.000 0.003 0.000 0.875 202 D CB 1.710 42.509 40.800 -0.001 0.000 1.136 202 D HN 0.686 nan 8.370 nan 0.000 0.469 203 S N 4.609 120.330 115.700 0.035 0.000 2.374 203 S HA -0.231 4.239 4.470 -0.001 0.000 0.227 203 S C 1.738 176.401 174.600 0.105 0.000 1.037 203 S CA 1.051 59.295 58.200 0.074 0.000 1.024 203 S CB -0.136 63.128 63.200 0.106 0.000 0.861 203 S HN 0.620 nan 8.310 nan 0.000 0.456 204 R N 1.717 122.262 120.500 0.076 0.000 2.241 204 R HA 0.005 4.344 4.340 -0.001 0.000 0.224 204 R C 2.172 178.500 176.300 0.045 0.000 1.101 204 R CA 1.243 57.391 56.100 0.080 0.000 0.995 204 R CB -0.458 29.865 30.300 0.039 0.000 0.870 204 R HN 0.590 nan 8.270 nan 0.000 0.463 205 S N -0.523 115.175 115.700 -0.003 0.000 2.631 205 S HA 0.122 4.591 4.470 -0.001 0.000 0.217 205 S C 0.608 175.145 174.600 -0.105 0.000 0.958 205 S CA -0.522 57.652 58.200 -0.043 0.000 0.920 205 S CB 0.280 63.451 63.200 -0.047 0.000 0.776 205 S HN -0.099 nan 8.310 nan 0.000 0.517 206 V N 2.371 122.185 119.914 -0.166 0.000 2.539 206 V HA 0.339 4.459 4.120 -0.001 0.000 0.292 206 V C -0.107 175.725 176.094 -0.437 0.000 1.045 206 V CA -0.775 61.289 62.300 -0.393 0.000 0.945 206 V CB 1.543 32.949 31.823 -0.695 0.000 0.993 206 V HN 0.321 nan 8.190 nan 0.000 0.464 207 D N 2.918 123.090 120.400 -0.380 0.000 2.468 207 D HA 0.153 4.793 4.640 -0.001 0.000 0.218 207 D C 0.225 176.354 176.300 -0.284 0.000 1.155 207 D CA -0.131 53.728 54.000 -0.235 0.000 0.924 207 D CB 0.276 40.991 40.800 -0.142 0.000 1.029 207 D HN 0.515 nan 8.370 nan 0.000 0.515 208 Y N 1.558 121.803 120.300 -0.092 0.000 2.542 208 Y HA -0.005 4.545 4.550 -0.001 0.000 0.326 208 Y C 2.093 177.980 175.900 -0.022 0.000 1.218 208 Y CA 0.246 58.297 58.100 -0.083 0.000 1.277 208 Y CB 0.204 38.601 38.460 -0.106 0.000 1.064 208 Y HN 0.268 nan 8.280 nan 0.000 0.499 209 T N -1.039 113.551 114.554 0.060 0.000 3.031 209 T HA 0.071 4.420 4.350 -0.001 0.000 0.254 209 T C 1.719 176.434 174.700 0.026 0.000 1.060 209 T CA 0.865 62.993 62.100 0.046 0.000 1.135 209 T CB 0.103 68.984 68.868 0.023 0.000 0.896 209 T HN 0.284 nan 8.240 nan 0.000 0.472 210 I N 0.513 121.078 120.570 -0.009 0.000 2.729 210 I HA 0.118 4.288 4.170 -0.001 0.000 0.256 210 I C 0.569 176.683 176.117 -0.005 0.000 1.115 210 I CA 0.103 61.393 61.300 -0.017 0.000 1.446 210 I CB -0.171 37.802 38.000 -0.046 0.000 1.176 210 I HN -0.084 nan 8.210 nan 0.000 0.446 211 V N 3.099 122.998 119.914 -0.026 0.000 2.617 211 V HA -0.029 4.091 4.120 -0.001 0.000 0.304 211 V C 0.580 176.752 176.094 0.129 0.000 1.040 211 V CA 0.179 62.490 62.300 0.019 0.000 1.149 211 V CB 0.277 32.065 31.823 -0.058 0.000 0.914 211 V HN 0.472 nan 8.190 nan 0.000 0.487 212 T N 2.242 116.870 114.554 0.122 0.000 2.780 212 T HA 0.399 4.749 4.350 -0.001 0.000 0.294 212 T C -0.217 174.578 174.700 0.158 0.000 0.949 212 T CA -0.712 61.465 62.100 0.128 0.000 1.074 212 T CB 1.055 69.964 68.868 0.069 0.000 0.910 212 T HN 0.809 nan 8.240 nan 0.000 0.501 213 E N 2.478 122.764 120.200 0.143 0.000 2.338 213 E HA 0.089 4.438 4.350 -0.001 0.000 0.272 213 E C -0.366 176.178 176.600 -0.093 0.000 1.029 213 E CA -0.546 55.832 56.400 -0.037 0.000 0.872 213 E CB 0.630 30.353 29.700 0.038 0.000 1.015 213 E HN 0.725 nan 8.360 nan 0.000 0.417 214 Q N 5.686 125.365 119.800 -0.202 0.000 2.558 214 Q HA 0.322 4.662 4.340 -0.001 0.000 0.252 214 Q C -2.508 173.424 176.000 -0.113 0.000 1.015 214 Q CA -2.309 53.436 55.803 -0.095 0.000 0.720 214 Q CB 1.526 30.251 28.738 -0.022 0.000 1.215 214 Q HN 0.423 nan 8.270 nan 0.000 0.500 215 P HA 0.129 nan 4.420 nan 0.000 0.274 215 P C 0.045 177.332 177.300 -0.023 0.000 1.237 215 P CA -0.057 63.011 63.100 -0.053 0.000 0.793 215 P CB 0.673 32.357 31.700 -0.027 0.000 0.977 216 G N 1.139 109.937 108.800 -0.004 0.000 2.554 216 G HA2 0.247 4.206 3.960 -0.001 0.000 0.238 216 G HA3 0.247 4.206 3.960 -0.001 0.000 0.238 216 G C -0.604 174.315 174.900 0.031 0.000 1.259 216 G CA -0.429 44.688 45.100 0.029 0.000 0.843 216 G HN 0.549 nan 8.290 nan 0.000 0.582 217 D N 0.177 120.600 120.400 0.039 0.000 2.382 217 D HA 0.201 4.841 4.640 -0.001 0.000 0.245 217 D C 0.471 176.783 176.300 0.021 0.000 1.120 217 D CA -0.657 53.359 54.000 0.026 0.000 0.890 217 D CB 1.095 41.910 40.800 0.025 0.000 1.201 217 D HN 0.187 nan 8.370 nan 0.000 0.433 218 V N 2.372 122.293 119.914 0.012 0.000 2.557 218 V HA 0.014 4.133 4.120 -0.001 0.000 0.301 218 V C 0.439 176.530 176.094 -0.004 0.000 1.026 218 V CA 0.622 62.923 62.300 0.003 0.000 1.137 218 V CB -0.475 31.349 31.823 0.003 0.000 0.917 218 V HN 0.915 nan 8.190 nan 0.000 0.484 219 D N 3.341 123.731 120.400 -0.017 0.000 3.061 219 D HA -0.098 4.542 4.640 -0.001 0.000 0.252 219 D C -2.365 173.910 176.300 -0.042 0.000 1.080 219 D CA -0.072 53.909 54.000 -0.033 0.000 0.871 219 D CB -0.141 40.644 40.800 -0.024 0.000 1.018 219 D HN 0.496 nan 8.370 nan 0.000 0.425 220 P HA 0.393 nan 4.420 nan 0.000 0.277 220 P C -0.604 176.619 177.300 -0.129 0.000 1.271 220 P CA -0.751 62.311 63.100 -0.064 0.000 0.795 220 P CB 0.817 32.477 31.700 -0.066 0.000 1.101 221 V N 1.761 121.604 119.914 -0.119 0.000 2.384 221 V HA 0.334 4.453 4.120 -0.001 0.000 0.287 221 V C -2.255 173.714 176.094 -0.209 0.000 1.020 221 V CA -1.804 60.393 62.300 -0.171 0.000 0.850 221 V CB 1.076 32.779 31.823 -0.200 0.000 0.987 221 V HN 0.535 nan 8.190 nan 0.000 0.436 222 P HA 0.265 nan 4.420 nan 0.000 0.271 222 P C 0.256 177.472 177.300 -0.140 0.000 1.216 222 P CA -0.154 62.855 63.100 -0.152 0.000 0.771 222 P CB 0.535 32.142 31.700 -0.154 0.000 0.864 223 F N 0.050 119.935 119.950 -0.108 0.000 2.113 223 F HA -0.072 4.454 4.527 -0.000 0.000 0.297 223 F C 1.729 177.352 175.800 -0.295 0.000 1.103 223 F CA 1.350 59.252 58.000 -0.164 0.000 1.248 223 F CB -0.501 38.471 39.000 -0.048 0.000 0.999 223 F HN 0.204 nan 8.300 nan 0.000 0.475 224 S N -0.469 115.238 115.700 0.012 0.000 2.548 224 S HA 0.121 4.591 4.470 -0.001 0.000 0.277 224 S C 0.752 175.272 174.600 -0.133 0.000 1.315 224 S CA -0.565 57.610 58.200 -0.042 0.000 1.050 224 S CB 0.147 63.376 63.200 0.049 0.000 0.918 224 S HN 0.127 nan 8.310 nan 0.000 0.497 225 F N 2.572 122.563 119.950 0.068 0.000 2.502 225 F HA 0.023 4.549 4.527 -0.001 0.000 0.298 225 F C 2.448 178.269 175.800 0.035 0.000 1.111 225 F CA 0.429 58.456 58.000 0.046 0.000 1.445 225 F CB -0.154 38.874 39.000 0.046 0.000 1.081 225 F HN 0.500 nan 8.300 nan 0.000 0.558 226 S N -1.419 114.389 115.700 0.181 0.000 2.446 226 S HA -0.000 4.469 4.470 -0.001 0.000 0.225 226 S C 1.090 175.729 174.600 0.064 0.000 1.016 226 S CA 0.059 58.328 58.200 0.114 0.000 0.943 226 S CB -0.200 63.062 63.200 0.103 0.000 0.786 226 S HN 0.093 nan 8.310 nan 0.000 0.508 227 S N 1.119 116.842 115.700 0.038 0.000 2.584 227 S HA 0.215 4.684 4.470 -0.001 0.000 0.270 227 S C 1.287 175.881 174.600 -0.009 0.000 1.346 227 S CA -0.060 58.141 58.200 0.001 0.000 1.018 227 S CB 1.204 64.388 63.200 -0.025 0.000 0.899 227 S HN 0.445 nan 8.310 nan 0.000 0.542 228 T N -0.212 114.326 114.554 -0.026 0.000 3.019 228 T HA 0.230 4.580 4.350 -0.001 0.000 0.247 228 T C 0.389 175.056 174.700 -0.056 0.000 0.992 228 T CA 0.573 62.657 62.100 -0.027 0.000 1.036 228 T CB -0.110 68.750 68.868 -0.014 0.000 1.063 228 T HN 0.697 nan 8.240 nan 0.000 0.476 229 S N 0.220 115.873 115.700 -0.078 0.000 2.588 229 S HA 0.607 5.076 4.470 -0.001 0.000 0.275 229 S C -0.180 174.317 174.600 -0.173 0.000 1.130 229 S CA -0.108 58.025 58.200 -0.112 0.000 0.855 229 S CB 1.738 64.889 63.200 -0.082 0.000 1.116 229 S HN 0.658 nan 8.310 nan 0.000 0.472 230 V N -1.680 118.080 119.914 -0.257 0.000 3.355 230 V HA 0.661 4.780 4.120 -0.001 0.000 0.330 230 V C 1.446 177.363 176.094 -0.294 0.000 1.479 230 V CA 0.300 62.364 62.300 -0.395 0.000 1.150 230 V CB -0.285 30.984 31.823 -0.925 0.000 1.044 230 V HN 1.100 nan 8.190 nan 0.000 0.501 231 A N 3.018 125.735 122.820 -0.172 0.000 1.883 231 A HA -0.227 4.093 4.320 -0.001 0.000 0.217 231 A C 1.958 179.507 177.584 -0.058 0.000 1.186 231 A CA 2.651 54.627 52.037 -0.102 0.000 0.624 231 A CB -0.870 18.087 19.000 -0.071 0.000 0.822 231 A HN 0.914 nan 8.150 nan 0.000 0.444 232 N N -0.802 117.869 118.700 -0.049 0.000 2.459 232 N HA -0.111 4.629 4.740 -0.001 0.000 0.181 232 N C 1.047 176.562 175.510 0.008 0.000 1.046 232 N CA 0.760 53.800 53.050 -0.017 0.000 0.904 232 N CB -0.315 38.163 38.487 -0.015 0.000 0.964 232 N HN 0.274 nan 8.380 nan 0.000 0.444 233 R N 0.307 120.812 120.500 0.009 0.000 2.340 233 R HA 0.128 4.467 4.340 -0.001 0.000 0.215 233 R C -0.338 176.067 176.300 0.175 0.000 1.017 233 R CA -0.033 56.128 56.100 0.101 0.000 1.111 233 R CB -0.973 29.425 30.300 0.164 0.000 1.049 233 R HN 0.284 nan 8.270 nan 0.000 0.490 234 N N 1.252 120.016 118.700 0.106 0.000 3.034 234 N HA 0.123 4.863 4.740 -0.001 0.000 0.265 234 N C 0.702 176.247 175.510 0.060 0.000 1.166 234 N CA 0.035 53.146 53.050 0.101 0.000 1.081 234 N CB 0.568 39.097 38.487 0.070 0.000 1.378 234 N HN 0.157 nan 8.380 nan 0.000 0.520 235 L N -0.027 121.232 121.223 0.059 0.000 2.425 235 L HA 0.262 4.602 4.340 -0.001 0.000 0.215 235 L C 0.317 177.207 176.870 0.033 0.000 1.065 235 L CA 0.474 55.338 54.840 0.040 0.000 0.842 235 L CB 0.362 42.445 42.059 0.041 0.000 1.033 235 L HN 0.028 nan 8.230 nan 0.000 0.474 236 V N -1.118 118.814 119.914 0.030 0.000 3.001 236 V HA 0.530 4.650 4.120 -0.001 0.000 0.314 236 V C -0.298 175.797 176.094 0.002 0.000 1.099 236 V CA -0.803 61.517 62.300 0.033 0.000 0.989 236 V CB 1.899 33.754 31.823 0.053 0.000 1.040 236 V HN 0.196 nan 8.190 nan 0.000 0.434 237 S N 0.343 116.026 115.700 -0.028 0.000 2.621 237 S HA 0.703 5.173 4.470 -0.001 0.000 0.302 237 S C -0.386 174.053 174.600 -0.267 0.000 1.093 237 S CA -0.656 57.456 58.200 -0.147 0.000 1.017 237 S CB 1.577 64.653 63.200 -0.206 0.000 1.077 237 S HN 0.734 nan 8.310 nan 0.000 0.517 238 C N 0.581 119.710 119.300 -0.286 0.000 2.352 238 C HA 0.698 5.157 4.460 -0.001 0.000 0.387 238 C C -0.915 173.782 174.990 -0.488 0.000 1.294 238 C CA -0.522 58.386 59.018 -0.183 0.000 2.137 238 C CB -0.270 27.477 27.740 0.011 0.000 2.146 238 C HN 0.870 nan 8.230 nan 0.000 0.559 239 Y N 0.502 120.891 120.300 0.148 0.000 2.331 239 Y HA 0.531 5.081 4.550 -0.001 0.000 0.326 239 Y C -0.176 175.769 175.900 0.075 0.000 1.020 239 Y CA -0.490 57.676 58.100 0.111 0.000 1.136 239 Y CB 0.694 39.214 38.460 0.100 0.000 1.157 239 Y HN 0.346 nan 8.280 nan 0.000 0.444 240 L N 4.116 125.426 121.223 0.144 0.000 2.312 240 L HA 0.789 5.129 4.340 -0.001 0.000 0.281 240 L C -0.172 176.687 176.870 -0.017 0.000 1.070 240 L CA -0.306 54.540 54.840 0.009 0.000 0.805 240 L CB 1.331 43.386 42.059 -0.006 0.000 1.174 240 L HN 0.656 nan 8.230 nan 0.000 0.434 241 T N 0.677 115.172 114.554 -0.097 0.000 2.787 241 T HA 0.520 4.870 4.350 -0.001 0.000 0.297 241 T C -1.021 173.591 174.700 -0.147 0.000 1.221 241 T CA -1.158 60.884 62.100 -0.097 0.000 1.006 241 T CB 2.437 71.253 68.868 -0.087 0.000 1.328 241 T HN 0.621 nan 8.240 nan 0.000 0.509 242 K N -0.425 119.887 120.400 -0.146 0.000 2.400 242 K HA 0.788 5.108 4.320 -0.001 0.000 0.246 242 K C -0.547 175.989 176.600 -0.107 0.000 0.995 242 K CA -0.997 55.181 56.287 -0.183 0.000 0.840 242 K CB 1.524 33.865 32.500 -0.264 0.000 1.293 242 K HN 0.716 nan 8.250 nan 0.000 0.445 243 T N -1.310 113.206 114.554 -0.064 0.000 2.918 243 T HA 0.362 4.712 4.350 -0.001 0.000 0.283 243 T C -0.023 174.628 174.700 -0.081 0.000 1.001 243 T CA -0.592 61.464 62.100 -0.074 0.000 1.041 243 T CB 1.242 70.066 68.868 -0.073 0.000 1.028 243 T HN 0.520 nan 8.240 nan 0.000 0.511 244 T N 1.559 116.029 114.554 -0.140 0.000 2.943 244 T HA 0.271 4.620 4.350 -0.001 0.000 0.284 244 T C 1.669 176.335 174.700 -0.058 0.000 1.015 244 T CA -0.711 61.346 62.100 -0.071 0.000 1.042 244 T CB 1.477 70.307 68.868 -0.064 0.000 1.055 244 T HN 0.841 nan 8.240 nan 0.000 0.500 245 E N 1.649 121.921 120.200 0.119 0.000 2.187 245 E HA -0.313 4.037 4.350 -0.001 0.000 0.199 245 E C 1.742 178.412 176.600 0.116 0.000 1.004 245 E CA 1.388 57.929 56.400 0.234 0.000 0.813 245 E CB -0.083 29.691 29.700 0.123 0.000 0.736 245 E HN 0.575 nan 8.360 nan 0.000 0.468 246 K N 0.420 120.827 120.400 0.012 0.000 2.155 246 K HA -0.070 4.250 4.320 -0.001 0.000 0.203 246 K C 1.984 178.547 176.600 -0.061 0.000 1.052 246 K CA 1.531 57.807 56.287 -0.019 0.000 0.948 246 K CB 0.038 32.521 32.500 -0.029 0.000 0.728 246 K HN 0.150 nan 8.250 nan 0.000 0.448 247 T N -0.102 114.365 114.554 -0.144 0.000 2.708 247 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 247 T C 1.352 175.954 174.700 -0.163 0.000 1.037 247 T CA 1.644 63.634 62.100 -0.184 0.000 1.146 247 T CB -0.423 68.277 68.868 -0.279 0.000 0.865 247 T HN 0.461 nan 8.240 nan 0.000 0.435 248 H N 1.046 120.132 119.070 0.028 0.000 2.387 248 H HA -0.034 4.522 4.556 -0.001 0.000 0.299 248 H C 2.218 177.511 175.328 -0.058 0.000 1.090 248 H CA 1.185 57.241 56.048 0.013 0.000 1.332 248 H CB -0.124 29.679 29.762 0.068 0.000 1.386 248 H HN 0.234 nan 8.280 nan 0.000 0.516 249 D N 0.658 121.090 120.400 0.052 0.000 2.104 249 D HA -0.137 4.503 4.640 -0.001 0.000 0.194 249 D C 2.161 178.407 176.300 -0.090 0.000 0.994 249 D CA 1.041 55.028 54.000 -0.022 0.000 0.830 249 D CB -0.253 40.541 40.800 -0.010 0.000 0.959 249 D HN 0.389 nan 8.370 nan 0.000 0.452 250 I N 0.179 120.703 120.570 -0.078 0.000 2.286 250 I HA -0.249 3.920 4.170 -0.001 0.000 0.248 250 I C 2.065 178.091 176.117 -0.151 0.000 1.115 250 I CA 0.620 61.865 61.300 -0.091 0.000 1.392 250 I CB -0.100 37.866 38.000 -0.056 0.000 1.065 250 I HN -0.029 nan 8.210 nan 0.000 0.418 251 L N 0.195 121.307 121.223 -0.186 0.000 2.240 251 L HA -0.041 4.299 4.340 -0.001 0.000 0.211 251 L C 2.494 178.912 176.870 -0.753 0.000 1.106 251 L CA 1.372 56.026 54.840 -0.309 0.000 0.793 251 L CB -0.618 41.327 42.059 -0.191 0.000 0.927 251 L HN 0.064 nan 8.230 nan 0.000 0.446 252 R N -1.114 118.905 120.500 -0.802 0.000 2.152 252 R HA -0.135 4.205 4.340 -0.001 0.000 0.232 252 R C 2.048 177.902 176.300 -0.743 0.000 1.117 252 R CA 1.548 56.944 56.100 -1.174 0.000 0.981 252 R CB -0.782 29.228 30.300 -0.484 0.000 0.870 252 R HN 0.353 nan 8.270 nan 0.000 0.451 253 T N -0.039 114.259 114.554 -0.427 0.000 2.624 253 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 253 T C 1.729 176.297 174.700 -0.219 0.000 1.041 253 T CA 1.795 63.748 62.100 -0.244 0.000 1.159 253 T CB -0.343 68.429 68.868 -0.161 0.000 0.863 253 T HN 0.548 nan 8.240 nan 0.000 0.434 254 G N -0.595 108.050 108.800 -0.258 0.000 3.042 254 G HA2 0.163 4.122 3.960 -0.001 0.000 0.212 254 G HA3 0.163 4.122 3.960 -0.001 0.000 0.212 254 G C 0.969 175.843 174.900 -0.043 0.000 1.166 254 G CA -0.320 44.709 45.100 -0.119 0.000 0.767 254 G HN 0.278 nan 8.290 nan 0.000 0.546 255 F N 2.030 121.838 119.950 -0.237 0.000 2.091 255 F HA -0.075 4.451 4.527 -0.001 0.000 0.299 255 F C 1.952 177.584 175.800 -0.281 0.000 1.103 255 F CA 0.998 58.714 58.000 -0.472 0.000 1.228 255 F CB -0.362 38.120 39.000 -0.863 0.000 0.984 255 F HN 0.137 nan 8.300 nan 0.000 0.477 256 D N -0.851 119.588 120.400 0.066 0.000 2.371 256 D HA -0.037 4.603 4.640 -0.001 0.000 0.221 256 D C 2.261 178.628 176.300 0.112 0.000 0.986 256 D CA 0.486 54.564 54.000 0.130 0.000 0.899 256 D CB -0.131 40.730 40.800 0.102 0.000 0.902 256 D HN 0.279 nan 8.370 nan 0.000 0.530 257 R N 0.106 120.659 120.500 0.087 0.000 2.123 257 R HA 0.083 4.422 4.340 -0.001 0.000 0.209 257 R C 0.750 177.106 176.300 0.093 0.000 1.078 257 R CA 0.201 56.348 56.100 0.079 0.000 1.028 257 R CB 0.208 30.543 30.300 0.057 0.000 0.939 257 R HN 0.032 nan 8.270 nan 0.000 0.463 258 S N 2.851 118.616 115.700 0.109 0.000 2.481 258 S HA 0.118 4.588 4.470 -0.001 0.000 0.282 258 S C -1.932 172.728 174.600 0.101 0.000 1.243 258 S CA -1.116 57.150 58.200 0.110 0.000 1.078 258 S CB 0.921 64.197 63.200 0.125 0.000 0.916 258 S HN 0.076 nan 8.310 nan 0.000 0.495 259 P HA 0.204 nan 4.420 nan 0.000 0.259 259 P C 0.327 177.581 177.300 -0.078 0.000 1.480 259 P CA -0.017 63.041 63.100 -0.071 0.000 0.842 259 P CB -0.018 31.523 31.700 -0.265 0.000 1.513 260 L N -2.110 119.118 121.223 0.007 0.000 2.717 260 L HA 0.268 4.607 4.340 -0.001 0.000 0.239 260 L C 0.883 177.771 176.870 0.031 0.000 1.086 260 L CA -0.376 54.464 54.840 -0.001 0.000 0.897 260 L CB -0.003 42.061 42.059 0.008 0.000 1.214 260 L HN -0.084 nan 8.230 nan 0.000 0.508 261 F N 2.080 121.975 119.950 -0.092 0.000 2.593 261 F HA 0.053 4.580 4.527 -0.001 0.000 0.393 261 F C 0.544 176.263 175.800 -0.135 0.000 1.037 261 F CA 0.282 58.193 58.000 -0.149 0.000 1.195 261 F CB 0.389 39.300 39.000 -0.148 0.000 1.034 261 F HN -0.244 nan 8.300 nan 0.000 0.552 262 T N 5.540 119.714 114.554 -0.635 0.000 2.841 262 T HA 0.628 4.978 4.350 -0.001 0.000 0.285 262 T C -0.089 174.226 174.700 -0.642 0.000 0.991 262 T CA 0.380 62.160 62.100 -0.534 0.000 0.966 262 T CB 0.363 69.078 68.868 -0.255 0.000 0.962 262 T HN 1.602 nan 8.240 nan 0.000 0.438 274 P HA 0.585 nan 4.420 nan 0.000 0.207 274 P C -0.360 176.927 177.300 -0.022 0.000 1.873 274 P CA 0.302 63.398 63.100 -0.006 0.000 1.100 274 P CB 0.593 32.290 31.700 -0.004 0.000 1.831 275 S N 0.468 116.147 115.700 -0.035 0.000 2.633 275 S HA 0.222 4.691 4.470 -0.001 0.000 0.271 275 S C 0.058 174.598 174.600 -0.100 0.000 1.112 275 S CA -0.423 57.741 58.200 -0.060 0.000 0.828 275 S CB 0.769 63.954 63.200 -0.026 0.000 1.086 275 S HN 0.140 nan 8.310 nan 0.000 0.461 276 I N 1.810 122.274 120.570 -0.176 0.000 3.035 276 I HA 0.225 4.394 4.170 -0.001 0.000 0.271 276 I C 1.598 177.650 176.117 -0.107 0.000 1.190 276 I CA 1.253 62.411 61.300 -0.236 0.000 1.472 276 I CB -0.143 37.544 38.000 -0.521 0.000 1.116 276 I HN 0.726 nan 8.210 nan 0.000 0.443 277 E N 0.339 120.525 120.200 -0.024 0.000 2.031 277 E HA -0.266 4.083 4.350 -0.001 0.000 0.193 277 E C 1.758 178.313 176.600 -0.075 0.000 0.994 277 E CA 1.742 58.215 56.400 0.122 0.000 0.800 277 E CB -0.328 29.451 29.700 0.132 0.000 0.752 277 E HN 0.485 nan 8.360 nan 0.000 0.447 278 D N 0.563 120.952 120.400 -0.018 0.000 2.123 278 D HA -0.193 4.447 4.640 -0.001 0.000 0.196 278 D C 1.797 178.101 176.300 0.007 0.000 0.992 278 D CA 1.323 55.319 54.000 -0.006 0.000 0.833 278 D CB 0.057 40.854 40.800 -0.006 0.000 0.954 278 D HN -0.018 nan 8.370 nan 0.000 0.455 279 K N -0.338 120.062 120.400 -0.000 0.000 2.009 279 K HA -0.121 4.199 4.320 -0.001 0.000 0.210 279 K C 2.233 178.874 176.600 0.069 0.000 1.049 279 K CA 1.531 57.834 56.287 0.026 0.000 0.929 279 K CB -0.199 32.194 32.500 -0.179 0.000 0.714 279 K HN 0.234 nan 8.250 nan 0.000 0.440 280 I N 0.130 120.703 120.570 0.005 0.000 2.394 280 I HA -0.241 3.929 4.170 -0.001 0.000 0.251 280 I C 2.493 178.683 176.117 0.121 0.000 1.136 280 I CA 0.754 62.123 61.300 0.116 0.000 1.425 280 I CB -0.268 37.871 38.000 0.231 0.000 1.079 280 I HN 0.189 nan 8.210 nan 0.000 0.425 281 S N 0.937 116.655 115.700 0.029 0.000 2.345 281 S HA -0.102 4.367 4.470 -0.001 0.000 0.220 281 S C 2.195 176.782 174.600 -0.023 0.000 1.031 281 S CA 1.246 59.433 58.200 -0.021 0.000 0.996 281 S CB -0.082 63.085 63.200 -0.055 0.000 0.882 281 S HN 0.336 nan 8.310 nan 0.000 0.445 282 R N -1.003 119.464 120.500 -0.056 0.000 2.189 282 R HA 0.069 4.409 4.340 -0.001 0.000 0.218 282 R C -0.295 175.717 176.300 -0.480 0.000 1.074 282 R CA 0.702 56.653 56.100 -0.247 0.000 0.991 282 R CB -0.047 30.098 30.300 -0.259 0.000 0.883 282 R HN 0.356 nan 8.270 nan 0.000 0.457 283 F N 0.504 120.486 119.950 0.053 0.000 2.622 283 F HA 0.284 4.811 4.527 -0.001 0.000 0.338 283 F C -1.754 174.076 175.800 0.049 0.000 1.334 283 F CA -2.184 55.856 58.000 0.068 0.000 1.179 283 F CB 1.734 40.810 39.000 0.127 0.000 1.471 283 F HN -0.148 nan 8.300 nan 0.000 0.576 284 P HA 0.006 nan 4.420 nan 0.000 0.249 284 P C 0.708 178.033 177.300 0.041 0.000 1.229 284 P CA 0.784 63.923 63.100 0.064 0.000 0.788 284 P CB 0.558 32.286 31.700 0.047 0.000 1.072 285 D N 0.261 120.708 120.400 0.079 0.000 2.183 285 D HA 0.006 4.646 4.640 -0.001 0.000 0.205 285 D C 0.726 177.035 176.300 0.015 0.000 0.962 285 D CA 0.745 54.777 54.000 0.053 0.000 0.849 285 D CB -0.043 40.804 40.800 0.079 0.000 0.978 285 D HN 0.166 nan 8.370 nan 0.000 0.488 286 K N 0.870 121.271 120.400 0.002 0.000 2.383 286 K HA 0.107 4.427 4.320 -0.001 0.000 0.286 286 K C 0.627 177.127 176.600 -0.167 0.000 1.051 286 K CA 0.011 56.227 56.287 -0.120 0.000 0.974 286 K CB 0.933 33.279 32.500 -0.257 0.000 0.968 286 K HN -0.195 nan 8.250 nan 0.000 0.475 287 S N 1.713 117.350 115.700 -0.105 0.000 2.671 287 S HA 0.023 4.493 4.470 -0.001 0.000 0.220 287 S C -0.131 174.499 174.600 0.050 0.000 0.951 287 S CA -0.049 58.132 58.200 -0.032 0.000 0.932 287 S CB 0.031 63.233 63.200 0.002 0.000 0.777 287 S HN 0.557 nan 8.310 nan 0.000 0.508 288 S N -0.285 115.373 115.700 -0.069 0.000 2.537 288 S HA 0.602 5.072 4.470 -0.001 0.000 0.271 288 S C -1.837 172.588 174.600 -0.292 0.000 1.148 288 S CA -0.631 57.542 58.200 -0.046 0.000 0.868 288 S CB 0.970 64.098 63.200 -0.120 0.000 1.115 288 S HN 0.514 nan 8.310 nan 0.000 0.461 289 H N 1.352 120.439 119.070 0.029 0.000 2.894 289 H HA 0.443 4.998 4.556 -0.001 0.000 0.367 289 H C -0.760 174.505 175.328 -0.104 0.000 1.144 289 H CA -0.716 55.335 56.048 0.004 0.000 1.180 289 H CB 1.106 30.948 29.762 0.134 0.000 1.758 289 H HN 0.562 nan 8.280 nan 0.000 0.541 290 H N 2.445 121.561 119.070 0.077 0.000 2.683 290 H HA 0.258 4.814 4.556 -0.001 0.000 0.339 290 H C -0.069 175.186 175.328 -0.122 0.000 1.081 290 H CA 0.143 56.122 56.048 -0.115 0.000 1.432 290 H CB 0.921 30.561 29.762 -0.203 0.000 1.462 290 H HN 0.511 nan 8.280 nan 0.000 0.557 291 I N -0.241 120.242 120.570 -0.145 0.000 2.582 291 I HA 0.407 4.576 4.170 -0.001 0.000 0.292 291 I C -1.319 174.646 176.117 -0.253 0.000 1.066 291 I CA -0.854 60.395 61.300 -0.085 0.000 1.053 291 I CB 1.644 39.653 38.000 0.015 0.000 1.241 291 I HN 0.108 nan 8.210 nan 0.000 0.421 292 F N 5.872 125.884 119.950 0.103 0.000 2.426 292 F HA 0.567 5.094 4.527 -0.001 0.000 0.348 292 F C -0.294 175.575 175.800 0.115 0.000 1.124 292 F CA -0.703 57.358 58.000 0.102 0.000 1.008 292 F CB 1.659 40.710 39.000 0.085 0.000 1.139 292 F HN 0.274 nan 8.300 nan 0.000 0.452 293 L N 4.287 125.671 121.223 0.268 0.000 2.278 293 L HA 0.399 4.739 4.340 -0.001 0.000 0.287 293 L C -0.427 176.623 176.870 0.301 0.000 1.072 293 L CA -0.199 54.782 54.840 0.234 0.000 0.819 293 L CB 0.585 42.741 42.059 0.161 0.000 1.176 293 L HN 0.613 nan 8.230 nan 0.000 0.435 294 E N 5.024 125.388 120.200 0.274 0.000 2.185 294 E HA 0.343 4.693 4.350 -0.001 0.000 0.261 294 E C -2.474 174.240 176.600 0.189 0.000 0.879 294 E CA -2.087 54.443 56.400 0.218 0.000 0.756 294 E CB 1.804 31.599 29.700 0.157 0.000 1.152 294 E HN 0.297 nan 8.360 nan 0.000 0.416 295 P HA -0.055 nan 4.420 nan 0.000 0.266 295 P C -0.029 177.316 177.300 0.076 0.000 1.195 295 P CA 0.291 63.472 63.100 0.134 0.000 0.768 295 P CB 0.662 32.446 31.700 0.141 0.000 0.838 296 E N 0.809 121.050 120.200 0.068 0.000 2.474 296 E HA 0.184 4.534 4.350 -0.001 0.000 0.194 296 E C 0.847 177.458 176.600 0.017 0.000 1.041 296 E CA 0.014 56.433 56.400 0.032 0.000 0.874 296 E CB 0.323 30.055 29.700 0.053 0.000 0.914 296 E HN 0.600 nan 8.360 nan 0.000 0.498 297 G N -0.329 108.489 108.800 0.030 0.000 2.623 297 G HA2 0.121 4.081 3.960 -0.001 0.000 0.290 297 G HA3 0.121 4.081 3.960 -0.001 0.000 0.290 297 G C 0.513 175.433 174.900 0.032 0.000 1.437 297 G CA -0.220 44.895 45.100 0.026 0.000 0.798 297 G HN -0.030 nan 8.290 nan 0.000 0.488 298 T N -1.970 112.601 114.554 0.028 0.000 2.867 298 T HA 0.017 4.366 4.350 -0.001 0.000 0.268 298 T C 0.708 175.426 174.700 0.029 0.000 1.057 298 T CA 1.899 64.016 62.100 0.029 0.000 1.136 298 T CB -0.098 68.785 68.868 0.026 0.000 0.874 298 T HN 0.625 nan 8.240 nan 0.000 0.466 299 D N 0.348 120.764 120.400 0.026 0.000 2.945 299 D HA 0.280 4.919 4.640 -0.001 0.000 0.369 299 D C -0.503 175.812 176.300 0.025 0.000 1.294 299 D CA -0.490 53.524 54.000 0.023 0.000 0.778 299 D CB 0.058 40.868 40.800 0.017 0.000 1.188 299 D HN 0.164 nan 8.370 nan 0.000 0.479 300 T N -1.067 113.506 114.554 0.032 0.000 2.952 300 T HA 0.350 4.699 4.350 -0.001 0.000 0.286 300 T C 0.447 175.171 174.700 0.039 0.000 1.024 300 T CA -0.571 61.550 62.100 0.034 0.000 1.029 300 T CB 2.123 71.013 68.868 0.038 0.000 1.094 300 T HN -0.065 nan 8.240 nan 0.000 0.515 301 V N 1.982 121.918 119.914 0.037 0.000 3.650 301 V HA 0.376 4.496 4.120 -0.001 0.000 0.271 301 V C 0.787 176.909 176.094 0.047 0.000 1.281 301 V CA 0.297 62.621 62.300 0.039 0.000 1.120 301 V CB -0.405 31.435 31.823 0.029 0.000 0.856 301 V HN 0.874 nan 8.190 nan 0.000 0.443 302 E N 1.388 121.618 120.200 0.051 0.000 2.316 302 E HA 0.336 4.685 4.350 -0.001 0.000 0.275 302 E C -0.446 176.202 176.600 0.080 0.000 1.029 302 E CA -0.124 56.312 56.400 0.060 0.000 0.871 302 E CB 0.790 30.528 29.700 0.063 0.000 1.022 302 E HN 0.459 nan 8.360 nan 0.000 0.418 303 M N 4.925 124.574 119.600 0.083 0.000 2.327 303 M HA 0.243 4.723 4.480 -0.001 0.000 0.298 303 M C -1.713 174.669 176.300 0.136 0.000 1.065 303 M CA -0.805 54.562 55.300 0.113 0.000 0.916 303 M CB 1.356 34.007 32.600 0.085 0.000 1.630 303 M HN 0.589 nan 8.290 nan 0.000 0.442 304 Y N 4.280 124.602 120.300 0.037 0.000 2.316 304 Y HA 0.493 5.043 4.550 -0.001 0.000 0.331 304 Y C -0.796 175.130 175.900 0.043 0.000 1.083 304 Y CA -0.304 57.815 58.100 0.032 0.000 1.206 304 Y CB 0.977 39.453 38.460 0.028 0.000 1.195 304 Y HN 0.405 nan 8.280 nan 0.000 0.497 305 V N 6.814 126.551 119.914 -0.294 0.000 2.218 305 V HA 0.096 4.216 4.120 -0.001 0.000 0.261 305 V C -0.034 175.943 176.094 -0.195 0.000 1.142 305 V CA -0.896 61.300 62.300 -0.174 0.000 0.965 305 V CB -0.419 31.277 31.823 -0.213 0.000 1.190 305 V HN 0.745 nan 8.190 nan 0.000 0.478 306 N N 3.014 121.753 118.700 0.066 0.000 2.407 306 N HA 0.322 5.062 4.740 -0.001 0.000 0.250 306 N C 1.290 176.938 175.510 0.231 0.000 1.236 306 N CA 1.848 55.038 53.050 0.233 0.000 0.879 306 N CB 0.777 39.532 38.487 0.446 0.000 1.088 306 N HN 0.868 nan 8.380 nan 0.000 0.450 307 G N 2.089 110.997 108.800 0.181 0.000 2.143 307 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.249 307 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.249 307 G C 0.094 175.079 174.900 0.142 0.000 0.981 307 G CA 0.264 45.461 45.100 0.161 0.000 0.665 307 G HN 0.594 nan 8.290 nan 0.000 0.528 308 F N 2.196 122.111 119.950 -0.058 0.000 2.818 308 F HA 0.561 5.088 4.527 -0.001 0.000 0.369 308 F C 0.825 176.565 175.800 -0.102 0.000 1.327 308 F CA -0.321 57.633 58.000 -0.076 0.000 1.211 308 F CB 0.714 39.660 39.000 -0.091 0.000 1.036 308 F HN 0.040 nan 8.300 nan 0.000 0.510 309 S N 1.193 116.847 115.700 -0.077 0.000 2.533 309 S HA 0.339 4.809 4.470 -0.001 0.000 0.282 309 S C 0.215 174.726 174.600 -0.149 0.000 1.304 309 S CA 0.468 58.608 58.200 -0.099 0.000 1.063 309 S CB 0.797 63.950 63.200 -0.080 0.000 0.881 309 S HN 0.481 nan 8.310 nan 0.000 0.493 310 T N 1.382 115.879 114.554 -0.096 0.000 2.889 310 T HA 0.453 4.803 4.350 -0.001 0.000 0.315 310 T C -0.218 174.491 174.700 0.014 0.000 1.291 310 T CA -0.650 61.401 62.100 -0.083 0.000 1.028 310 T CB 1.319 70.100 68.868 -0.145 0.000 1.235 310 T HN 0.294 nan 8.240 nan 0.000 0.491 311 S N 2.180 117.905 115.700 0.042 0.000 2.819 311 S HA 0.363 4.833 4.470 -0.001 0.000 0.249 311 S C 0.359 175.018 174.600 0.098 0.000 1.030 311 S CA -0.437 57.822 58.200 0.098 0.000 1.052 311 S CB -0.148 63.108 63.200 0.094 0.000 1.017 311 S HN 0.585 nan 8.310 nan 0.000 0.576 312 L N 2.421 123.688 121.223 0.073 0.000 2.473 312 L HA 0.256 4.596 4.340 -0.001 0.000 0.268 312 L C -2.353 174.564 176.870 0.078 0.000 1.215 312 L CA -1.962 52.916 54.840 0.063 0.000 0.823 312 L CB -0.290 41.787 42.059 0.029 0.000 1.099 312 L HN -0.069 nan 8.230 nan 0.000 0.483 313 P HA -0.060 nan 4.420 nan 0.000 0.264 313 P C 0.388 177.733 177.300 0.075 0.000 1.183 313 P CA 0.137 63.278 63.100 0.067 0.000 0.763 313 P CB 0.505 32.232 31.700 0.044 0.000 0.807 314 E N 2.882 123.137 120.200 0.092 0.000 2.108 314 E HA -0.350 3.999 4.350 -0.001 0.000 0.203 314 E C 1.274 177.913 176.600 0.065 0.000 1.022 314 E CA 2.052 58.508 56.400 0.093 0.000 0.823 314 E CB -0.117 29.643 29.700 0.100 0.000 0.744 314 E HN 0.570 nan 8.360 nan 0.000 0.456 315 D N 0.094 120.524 120.400 0.049 0.000 2.219 315 D HA -0.166 4.474 4.640 -0.001 0.000 0.205 315 D C 1.993 178.307 176.300 0.023 0.000 0.970 315 D CA 0.847 54.865 54.000 0.030 0.000 0.851 315 D CB -0.421 40.392 40.800 0.022 0.000 0.943 315 D HN 0.403 nan 8.370 nan 0.000 0.488 316 I N 0.230 120.816 120.570 0.027 0.000 2.500 316 I HA -0.183 3.987 4.170 -0.001 0.000 0.252 316 I C 2.679 178.825 176.117 0.047 0.000 1.142 316 I CA 0.519 61.828 61.300 0.016 0.000 1.451 316 I CB -0.154 37.842 38.000 -0.007 0.000 1.093 316 I HN -0.067 nan 8.210 nan 0.000 0.430 317 Q N 0.748 120.597 119.800 0.082 0.000 2.030 317 Q HA -0.209 4.130 4.340 -0.001 0.000 0.204 317 Q C 2.394 178.436 176.000 0.069 0.000 0.986 317 Q CA 1.715 57.606 55.803 0.148 0.000 0.843 317 Q CB -0.143 28.692 28.738 0.161 0.000 0.904 317 Q HN 0.514 nan 8.270 nan 0.000 0.420 318 I N 0.606 121.189 120.570 0.021 0.000 2.208 318 I HA -0.282 3.887 4.170 -0.001 0.000 0.245 318 I C 2.436 178.531 176.117 -0.036 0.000 1.097 318 I CA 0.942 62.226 61.300 -0.027 0.000 1.363 318 I CB -0.513 37.475 38.000 -0.019 0.000 1.051 318 I HN 0.178 nan 8.210 nan 0.000 0.413 319 A N 1.031 123.842 122.820 -0.014 0.000 1.933 319 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 319 A C 2.418 179.989 177.584 -0.022 0.000 1.175 319 A CA 1.948 53.972 52.037 -0.021 0.000 0.628 319 A CB -1.279 17.711 19.000 -0.016 0.000 0.814 319 A HN 0.474 nan 8.150 nan 0.000 0.444 320 G N -0.354 108.454 108.800 0.013 0.000 2.404 320 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.214 320 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.214 320 G C 1.463 176.335 174.900 -0.046 0.000 1.189 320 G CA 0.968 46.097 45.100 0.047 0.000 0.789 320 G HN 0.365 nan 8.290 nan 0.000 0.533 321 L N 0.346 121.473 121.223 -0.160 0.000 2.043 321 L HA -0.058 4.282 4.340 -0.001 0.000 0.212 321 L C 3.003 179.754 176.870 -0.199 0.000 1.075 321 L CA 1.347 55.996 54.840 -0.318 0.000 0.752 321 L CB -0.216 41.625 42.059 -0.363 0.000 0.891 321 L HN 0.113 nan 8.230 nan 0.000 0.432 322 R N -0.940 119.480 120.500 -0.133 0.000 2.237 322 R HA -0.081 4.259 4.340 -0.001 0.000 0.219 322 R C 2.328 178.572 176.300 -0.094 0.000 1.080 322 R CA 1.246 57.283 56.100 -0.106 0.000 0.995 322 R CB -0.357 29.896 30.300 -0.079 0.000 0.875 322 R HN 0.543 nan 8.270 nan 0.000 0.462 323 S N 0.398 116.044 115.700 -0.090 0.000 2.470 323 S HA 0.038 4.507 4.470 -0.001 0.000 0.225 323 S C 1.023 175.568 174.600 -0.092 0.000 1.006 323 S CA 0.020 58.172 58.200 -0.080 0.000 0.934 323 S CB -0.162 62.995 63.200 -0.070 0.000 0.778 323 S HN 0.083 nan 8.310 nan 0.000 0.517 324 I N 4.535 125.037 120.570 -0.113 0.000 2.598 324 I HA 0.161 4.331 4.170 -0.001 0.000 0.284 324 I C -2.163 173.887 176.117 -0.111 0.000 1.140 324 I CA -2.098 59.131 61.300 -0.118 0.000 1.420 324 I CB 0.301 38.212 38.000 -0.149 0.000 1.387 324 I HN 0.071 nan 8.210 nan 0.000 0.553 325 P HA -0.031 nan 4.420 nan 0.000 0.262 325 P C 0.841 178.078 177.300 -0.104 0.000 1.182 325 P CA 0.714 63.762 63.100 -0.087 0.000 0.761 325 P CB 0.722 32.378 31.700 -0.073 0.000 0.795 326 G N 2.695 111.430 108.800 -0.109 0.000 2.241 326 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.244 326 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.244 326 G C 0.398 175.193 174.900 -0.174 0.000 0.998 326 G CA 0.088 45.101 45.100 -0.145 0.000 0.621 326 G HN 0.507 nan 8.290 nan 0.000 0.519 327 L N 0.315 121.446 121.223 -0.153 0.000 3.110 327 L HA 0.386 4.726 4.340 -0.001 0.000 0.266 327 L C 1.669 178.462 176.870 -0.129 0.000 1.257 327 L CA -0.157 54.588 54.840 -0.159 0.000 1.038 327 L CB 0.656 42.606 42.059 -0.182 0.000 1.395 327 L HN 0.053 nan 8.230 nan 0.000 0.566 328 E N 1.013 121.148 120.200 -0.108 0.000 2.204 328 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 328 E C 0.851 177.405 176.600 -0.076 0.000 0.990 328 E CA 1.087 57.436 56.400 -0.084 0.000 0.821 328 E CB 0.145 29.804 29.700 -0.070 0.000 0.750 328 E HN 0.404 nan 8.360 nan 0.000 0.477 329 E N -0.279 119.873 120.200 -0.081 0.000 2.869 329 E HA 0.320 4.669 4.350 -0.001 0.000 0.207 329 E C -0.739 175.817 176.600 -0.073 0.000 0.986 329 E CA -0.303 56.057 56.400 -0.067 0.000 1.131 329 E CB 1.052 30.719 29.700 -0.055 0.000 1.098 329 E HN 0.082 nan 8.360 nan 0.000 0.459 330 A N 1.700 124.465 122.820 -0.091 0.000 2.492 330 A HA 0.137 4.457 4.320 -0.001 0.000 0.254 330 A C 0.059 177.599 177.584 -0.074 0.000 1.091 330 A CA 0.217 52.195 52.037 -0.098 0.000 0.768 330 A CB 0.154 19.076 19.000 -0.130 0.000 1.028 330 A HN 0.066 nan 8.150 nan 0.000 0.498 331 K N 2.479 122.844 120.400 -0.059 0.000 2.253 331 K HA 0.332 4.652 4.320 -0.001 0.000 0.277 331 K C -0.417 176.160 176.600 -0.038 0.000 1.053 331 K CA 0.022 56.285 56.287 -0.040 0.000 0.892 331 K CB 1.387 33.871 32.500 -0.026 0.000 1.102 331 K HN 0.815 nan 8.250 nan 0.000 0.469 332 M N 5.705 125.284 119.600 -0.034 0.000 2.077 332 M HA 0.192 4.671 4.480 -0.001 0.000 0.348 332 M C 0.229 176.526 176.300 -0.004 0.000 1.252 332 M CA -0.149 55.134 55.300 -0.028 0.000 1.096 332 M CB 0.526 33.108 32.600 -0.029 0.000 1.568 332 M HN 0.713 nan 8.290 nan 0.000 0.456 333 I N 3.139 123.712 120.570 0.005 0.000 2.333 333 I HA -0.081 4.089 4.170 -0.001 0.000 0.246 333 I C 0.590 176.729 176.117 0.035 0.000 1.106 333 I CA 0.960 62.271 61.300 0.019 0.000 1.411 333 I CB 0.033 38.048 38.000 0.025 0.000 1.082 333 I HN 0.633 nan 8.210 nan 0.000 0.420 334 R N 0.542 121.071 120.500 0.048 0.000 2.744 334 R HA 0.403 4.742 4.340 -0.001 0.000 0.279 334 R C -2.615 173.739 176.300 0.089 0.000 0.977 334 R CA -1.841 54.309 56.100 0.082 0.000 0.906 334 R CB 1.548 31.920 30.300 0.119 0.000 1.197 334 R HN -0.159 nan 8.270 nan 0.000 0.463 335 P HA 0.102 nan 4.420 nan 0.000 0.277 335 P C -0.254 177.161 177.300 0.191 0.000 1.240 335 P CA -0.348 62.840 63.100 0.148 0.000 0.798 335 P CB 0.889 32.690 31.700 0.168 0.000 0.979 336 G N 1.577 110.460 108.800 0.138 0.000 2.483 336 G HA2 0.448 4.407 3.960 -0.001 0.000 0.248 336 G HA3 0.448 4.407 3.960 -0.001 0.000 0.248 336 G C -0.932 174.063 174.900 0.159 0.000 1.248 336 G CA -0.169 44.970 45.100 0.064 0.000 0.838 336 G HN 0.627 nan 8.290 nan 0.000 0.566 337 Y N -1.249 119.105 120.300 0.090 0.000 2.689 337 Y HA 0.798 5.347 4.550 -0.001 0.000 0.333 337 Y C -0.221 175.739 175.900 0.099 0.000 1.190 337 Y CA -1.537 56.627 58.100 0.106 0.000 1.063 337 Y CB 1.096 39.634 38.460 0.129 0.000 1.294 337 Y HN 0.786 nan 8.280 nan 0.000 0.466 338 A N 1.286 124.355 122.820 0.415 0.000 2.355 338 A HA 0.735 5.055 4.320 -0.001 0.000 0.324 338 A C -1.826 176.028 177.584 0.450 0.000 1.117 338 A CA -0.747 51.474 52.037 0.307 0.000 0.785 338 A CB 1.318 20.422 19.000 0.174 0.000 1.254 338 A HN 0.822 nan 8.150 nan 0.000 0.453 339 I N 0.757 121.542 120.570 0.359 0.000 2.362 339 I HA 0.406 4.576 4.170 -0.001 0.000 0.289 339 I C -0.128 176.210 176.117 0.369 0.000 0.994 339 I CA -0.081 61.429 61.300 0.350 0.000 1.158 339 I CB 1.260 39.422 38.000 0.270 0.000 1.315 339 I HN 0.724 nan 8.210 nan 0.000 0.451 340 E N 7.108 127.522 120.200 0.356 0.000 2.175 340 E HA 0.449 4.799 4.350 -0.001 0.000 0.278 340 E C -1.809 174.964 176.600 0.287 0.000 0.969 340 E CA -0.558 55.998 56.400 0.261 0.000 0.796 340 E CB 1.049 30.892 29.700 0.238 0.000 1.104 340 E HN 0.578 nan 8.360 nan 0.000 0.395 341 Y N 0.571 120.915 120.300 0.074 0.000 2.625 341 Y HA 0.442 4.992 4.550 -0.001 0.000 0.338 341 Y C -1.133 174.806 175.900 0.066 0.000 1.123 341 Y CA -1.600 56.532 58.100 0.052 0.000 1.046 341 Y CB 0.675 39.147 38.460 0.020 0.000 1.299 341 Y HN 0.195 nan 8.280 nan 0.000 0.464 342 D N 2.404 122.867 120.400 0.104 0.000 2.304 342 D HA 0.350 4.990 4.640 -0.001 0.000 0.250 342 D C -0.789 175.468 176.300 -0.071 0.000 1.107 342 D CA 0.366 54.322 54.000 -0.072 0.000 0.885 342 D CB 0.952 41.612 40.800 -0.233 0.000 1.192 342 D HN 0.585 nan 8.370 nan 0.000 0.436 343 F N -0.172 119.547 119.950 -0.385 0.000 2.588 343 F HA 0.675 5.202 4.527 -0.001 0.000 0.314 343 F C -1.536 173.920 175.800 -0.573 0.000 1.069 343 F CA -1.400 56.382 58.000 -0.363 0.000 0.931 343 F CB 0.984 39.872 39.000 -0.187 0.000 1.260 343 F HN 0.029 nan 8.300 nan 0.000 0.465 344 F N 1.677 121.543 119.950 -0.141 0.000 2.404 344 F HA 0.378 4.904 4.527 -0.001 0.000 0.354 344 F C 0.106 175.807 175.800 -0.165 0.000 1.122 344 F CA -0.704 57.178 58.000 -0.196 0.000 1.080 344 F CB 0.712 39.789 39.000 0.129 0.000 1.131 344 F HN 0.550 nan 8.300 nan 0.000 0.471 345 H N 4.216 123.158 119.070 -0.215 0.000 3.192 345 H HA -0.009 4.547 4.556 -0.001 0.000 0.295 345 H C -1.705 173.394 175.328 -0.381 0.000 0.943 345 H CA -0.732 55.024 56.048 -0.486 0.000 1.416 345 H CB 0.068 28.936 29.762 -1.490 0.000 1.434 345 H HN 0.375 nan 8.280 nan 0.000 0.565 346 P HA -0.147 nan 4.420 nan 0.000 0.234 346 P C 0.670 178.056 177.300 0.143 0.000 1.167 346 P CA 0.703 63.878 63.100 0.125 0.000 0.763 346 P CB -0.055 31.745 31.700 0.166 0.000 0.835 347 W N -0.076 121.338 121.300 0.190 0.000 2.584 347 W HA 0.045 4.705 4.660 -0.001 0.000 0.264 347 W C 1.432 178.004 176.519 0.087 0.000 1.264 347 W CA 0.528 57.937 57.345 0.107 0.000 1.306 347 W CB -1.691 27.814 29.460 0.075 0.000 1.110 347 W HN -0.039 nan 8.180 nan 0.000 0.606 348 Q N 1.242 121.040 119.800 -0.005 0.000 2.436 348 Q HA 0.032 4.372 4.340 -0.001 0.000 0.209 348 Q C 0.840 176.855 176.000 0.024 0.000 0.965 348 Q CA 0.768 56.601 55.803 0.052 0.000 0.910 348 Q CB -0.263 28.490 28.738 0.025 0.000 0.980 348 Q HN 0.609 nan 8.270 nan 0.000 0.491 349 I N -2.601 117.991 120.570 0.037 0.000 2.607 349 I HA 0.432 4.602 4.170 -0.001 0.000 0.305 349 I C -0.162 175.965 176.117 0.016 0.000 0.995 349 I CA -1.251 60.036 61.300 -0.021 0.000 1.148 349 I CB 1.524 39.524 38.000 0.001 0.000 1.323 349 I HN -0.252 nan 8.210 nan 0.000 0.461 350 R N 2.124 122.606 120.500 -0.029 0.000 2.652 350 R HA 0.225 4.564 4.340 -0.001 0.000 0.271 350 R C 1.255 177.572 176.300 0.027 0.000 1.129 350 R CA -0.173 55.925 56.100 -0.004 0.000 1.200 350 R CB 0.790 31.067 30.300 -0.039 0.000 1.146 350 R HN 0.813 nan 8.270 nan 0.000 0.581 351 S N -0.584 115.138 115.700 0.037 0.000 2.442 351 S HA -0.126 4.343 4.470 -0.001 0.000 0.236 351 S C 1.568 176.208 174.600 0.066 0.000 1.007 351 S CA 1.644 59.875 58.200 0.051 0.000 0.965 351 S CB -0.053 63.172 63.200 0.042 0.000 0.773 351 S HN 0.648 nan 8.310 nan 0.000 0.504 352 T N 0.966 115.554 114.554 0.057 0.000 3.129 352 T HA 0.201 4.550 4.350 -0.001 0.000 0.251 352 T C 0.827 175.618 174.700 0.152 0.000 1.117 352 T CA 0.420 62.576 62.100 0.094 0.000 1.034 352 T CB -0.325 68.588 68.868 0.075 0.000 0.968 352 T HN 0.352 nan 8.240 nan 0.000 0.526 353 M N 0.120 119.787 119.600 0.112 0.000 2.961 353 M HA -0.136 4.343 4.480 -0.001 0.000 0.198 353 M C 0.116 176.418 176.300 0.003 0.000 0.610 353 M CA 0.728 56.127 55.300 0.164 0.000 0.755 353 M CB -1.918 30.863 32.600 0.302 0.000 2.707 353 M HN 0.495 nan 8.290 nan 0.000 0.299 354 E N 1.787 121.801 120.200 -0.310 0.000 2.343 354 E HA 0.343 4.692 4.350 -0.001 0.000 0.269 354 E C 0.364 176.701 176.600 -0.439 0.000 1.047 354 E CA 0.338 56.252 56.400 -0.809 0.000 0.874 354 E CB 1.112 30.321 29.700 -0.819 0.000 1.033 354 E HN 0.331 nan 8.360 nan 0.000 0.409 355 T N 1.241 115.511 114.554 -0.473 0.000 2.909 355 T HA 0.293 4.642 4.350 -0.001 0.000 0.289 355 T C 0.940 175.510 174.700 -0.218 0.000 1.005 355 T CA -0.579 61.321 62.100 -0.334 0.000 1.084 355 T CB 1.527 70.174 68.868 -0.368 0.000 0.975 355 T HN 0.529 nan 8.240 nan 0.000 0.509 356 R N 1.422 121.824 120.500 -0.162 0.000 2.055 356 R HA 0.051 4.391 4.340 -0.001 0.000 0.228 356 R C -0.526 175.675 176.300 -0.166 0.000 1.143 356 R CA 1.100 57.121 56.100 -0.132 0.000 0.945 356 R CB -1.505 28.748 30.300 -0.078 0.000 0.841 356 R HN 0.539 nan 8.270 nan 0.000 0.429 357 P HA -0.110 nan 4.420 nan 0.000 0.218 357 P C -0.193 177.014 177.300 -0.155 0.000 1.146 357 P CA 1.115 64.013 63.100 -0.337 0.000 0.813 357 P CB 0.302 31.473 31.700 -0.883 0.000 0.778 358 V N -1.073 118.797 119.914 -0.074 0.000 2.655 358 V HA 0.264 4.384 4.120 -0.001 0.000 0.301 358 V C -0.764 175.315 176.094 -0.024 0.000 1.082 358 V CA -1.135 61.172 62.300 0.012 0.000 0.899 358 V CB 1.776 33.678 31.823 0.131 0.000 1.014 358 V HN -0.120 nan 8.190 nan 0.000 0.429 359 E N 5.268 125.462 120.200 -0.010 0.000 2.415 359 E HA 0.182 4.532 4.350 -0.001 0.000 0.262 359 E C 0.626 177.248 176.600 0.036 0.000 1.038 359 E CA 0.657 57.042 56.400 -0.025 0.000 0.921 359 E CB 0.323 30.029 29.700 0.010 0.000 0.950 359 E HN 0.876 nan 8.360 nan 0.000 0.438 360 N N 0.727 119.426 118.700 -0.002 0.000 2.863 360 N HA -0.238 4.502 4.740 -0.001 0.000 0.245 360 N C -0.905 174.673 175.510 0.113 0.000 1.001 360 N CA 0.748 53.899 53.050 0.169 0.000 0.901 360 N CB -1.162 37.482 38.487 0.263 0.000 1.124 360 N HN 0.334 nan 8.380 nan 0.000 0.582 361 L N 1.018 122.194 121.223 -0.078 0.000 2.280 361 L HA 0.569 4.909 4.340 -0.001 0.000 0.287 361 L C -0.794 175.966 176.870 -0.183 0.000 1.023 361 L CA -0.428 54.360 54.840 -0.087 0.000 0.819 361 L CB 0.487 42.512 42.059 -0.056 0.000 1.212 361 L HN -0.047 nan 8.230 nan 0.000 0.420 362 F N 4.600 124.511 119.950 -0.064 0.000 2.480 362 F HA 0.566 5.093 4.527 -0.001 0.000 0.329 362 F C -0.416 175.549 175.800 0.275 0.000 1.091 362 F CA -0.542 57.469 58.000 0.019 0.000 0.972 362 F CB 1.426 40.435 39.000 0.015 0.000 1.150 362 F HN 0.153 nan 8.300 nan 0.000 0.467 363 F N 1.856 121.872 119.950 0.110 0.000 2.467 363 F HA 0.748 5.275 4.527 -0.001 0.000 0.336 363 F C -0.026 175.842 175.800 0.113 0.000 1.123 363 F CA -1.839 56.197 58.000 0.061 0.000 0.964 363 F CB 1.359 40.370 39.000 0.019 0.000 1.136 363 F HN 0.504 nan 8.300 nan 0.000 0.447 364 A N 2.060 125.027 122.820 0.246 0.000 2.427 364 A HA 0.855 5.174 4.320 -0.001 0.000 0.298 364 A C 0.010 177.677 177.584 0.137 0.000 1.036 364 A CA 0.022 52.170 52.037 0.185 0.000 0.701 364 A CB 1.398 20.492 19.000 0.157 0.000 1.250 364 A HN 1.564 nan 8.150 nan 0.000 0.412 365 G N 0.728 109.615 108.800 0.144 0.000 2.416 365 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.203 365 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.203 365 G C 0.633 175.604 174.900 0.118 0.000 1.227 365 G CA 0.605 45.779 45.100 0.124 0.000 1.041 365 G HN 1.208 nan 8.290 nan 0.000 0.546 366 Q N -0.379 119.469 119.800 0.081 0.000 2.297 366 Q HA 0.131 4.471 4.340 -0.001 0.000 0.208 366 Q C 2.500 178.598 176.000 0.164 0.000 0.981 366 Q CA 2.089 57.929 55.803 0.063 0.000 0.876 366 Q CB -0.255 28.427 28.738 -0.094 0.000 0.921 366 Q HN 0.583 nan 8.270 nan 0.000 0.446 367 I N 0.164 120.823 120.570 0.148 0.000 2.614 367 I HA -0.207 3.963 4.170 -0.001 0.000 0.258 367 I C 0.434 176.724 176.117 0.288 0.000 1.189 367 I CA 0.684 62.100 61.300 0.192 0.000 1.462 367 I CB 0.068 38.096 38.000 0.046 0.000 1.092 367 I HN 0.217 nan 8.210 nan 0.000 0.442 368 N N 1.122 119.980 118.700 0.264 0.000 2.313 368 N HA 0.108 4.848 4.740 -0.001 0.000 0.207 368 N C 1.028 176.684 175.510 0.243 0.000 1.141 368 N CA 0.847 54.077 53.050 0.301 0.000 0.830 368 N CB 0.474 39.115 38.487 0.257 0.000 1.008 368 N HN 0.389 nan 8.380 nan 0.000 0.481 369 G N 0.687 109.594 108.800 0.179 0.000 2.198 369 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.260 369 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.260 369 G C 0.313 175.195 174.900 -0.029 0.000 1.025 369 G CA 1.057 46.072 45.100 -0.141 0.000 0.769 369 G HN 0.494 nan 8.290 nan 0.000 0.507 370 T N -1.019 113.588 114.554 0.088 0.000 2.912 370 T HA 0.762 5.112 4.350 -0.001 0.000 0.280 370 T C 0.381 175.119 174.700 0.063 0.000 0.989 370 T CA 0.708 62.876 62.100 0.113 0.000 0.995 370 T CB 1.613 70.575 68.868 0.157 0.000 1.077 370 T HN 1.629 nan 8.240 nan 0.000 0.531 371 S N 0.534 116.249 115.700 0.024 0.000 2.547 371 S HA 0.828 5.298 4.470 -0.001 0.000 0.281 371 S C -0.281 174.259 174.600 -0.099 0.000 1.118 371 S CA 0.083 58.260 58.200 -0.040 0.000 0.947 371 S CB 1.164 64.338 63.200 -0.043 0.000 1.053 371 S HN 1.847 nan 8.310 nan 0.000 0.482 372 G N 1.809 110.500 108.800 -0.182 0.000 2.326 372 G HA2 0.209 4.169 3.960 -0.001 0.000 0.478 372 G HA3 0.209 4.169 3.960 -0.001 0.000 0.478 372 G C -0.579 174.165 174.900 -0.261 0.000 1.551 372 G CA -0.507 44.417 45.100 -0.294 0.000 0.946 372 G HN 0.631 nan 8.290 nan 0.000 0.671 373 Y N 0.683 120.818 120.300 -0.275 0.000 2.133 373 Y HA 0.032 4.582 4.550 -0.001 0.000 0.287 373 Y C 2.779 178.554 175.900 -0.208 0.000 1.134 373 Y CA 2.002 59.828 58.100 -0.457 0.000 1.133 373 Y CB -0.585 37.370 38.460 -0.842 0.000 0.987 373 Y HN 0.696 nan 8.280 nan 0.000 0.502 374 E N 0.527 120.725 120.200 -0.002 0.000 2.058 374 E HA -0.205 4.145 4.350 -0.001 0.000 0.194 374 E C 1.952 178.585 176.600 0.055 0.000 0.997 374 E CA 1.690 58.110 56.400 0.034 0.000 0.801 374 E CB -0.325 29.384 29.700 0.014 0.000 0.746 374 E HN 0.455 nan 8.360 nan 0.000 0.450 375 E N 0.426 120.643 120.200 0.028 0.000 2.085 375 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 375 E C 1.947 178.604 176.600 0.095 0.000 0.994 375 E CA 1.472 57.911 56.400 0.064 0.000 0.801 375 E CB -0.296 29.427 29.700 0.038 0.000 0.743 375 E HN 0.334 nan 8.360 nan 0.000 0.453 376 A N 0.764 123.637 122.820 0.088 0.000 1.897 376 A HA 0.024 4.343 4.320 -0.001 0.000 0.215 376 A C 2.353 180.026 177.584 0.148 0.000 1.181 376 A CA 1.548 53.661 52.037 0.125 0.000 0.620 376 A CB -0.797 18.289 19.000 0.143 0.000 0.821 376 A HN 0.283 nan 8.150 nan 0.000 0.443 377 A N 0.103 123.018 122.820 0.158 0.000 1.883 377 A HA 0.108 4.428 4.320 -0.001 0.000 0.217 377 A C 2.503 180.167 177.584 0.133 0.000 1.186 377 A CA 2.230 54.366 52.037 0.165 0.000 0.624 377 A CB -1.069 18.034 19.000 0.173 0.000 0.822 377 A HN 1.083 nan 8.150 nan 0.000 0.444 378 A N -0.879 122.016 122.820 0.125 0.000 1.933 378 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 378 A C 2.122 179.780 177.584 0.123 0.000 1.175 378 A CA 1.750 53.860 52.037 0.123 0.000 0.628 378 A CB -0.523 18.553 19.000 0.127 0.000 0.814 378 A HN 0.678 nan 8.150 nan 0.000 0.444 379 Q N -0.889 118.989 119.800 0.130 0.000 2.046 379 Q HA -0.055 4.285 4.340 -0.001 0.000 0.200 379 Q C 2.276 178.352 176.000 0.126 0.000 0.975 379 Q CA 1.099 56.984 55.803 0.137 0.000 0.836 379 Q CB -0.463 28.365 28.738 0.151 0.000 0.896 379 Q HN 0.669 nan 8.270 nan 0.000 0.428 380 G N 1.264 110.134 108.800 0.117 0.000 2.440 380 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 380 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.218 380 G C 1.381 176.320 174.900 0.065 0.000 1.154 380 G CA 0.513 45.667 45.100 0.091 0.000 0.767 380 G HN 0.231 nan 8.290 nan 0.000 0.552 381 L N -0.234 121.035 121.223 0.076 0.000 1.989 381 L HA -0.121 4.219 4.340 -0.001 0.000 0.211 381 L C 3.050 179.950 176.870 0.049 0.000 1.071 381 L CA 1.362 56.239 54.840 0.061 0.000 0.749 381 L CB -0.178 41.929 42.059 0.079 0.000 0.890 381 L HN 0.179 nan 8.230 nan 0.000 0.431 382 M N -0.701 118.943 119.600 0.074 0.000 2.099 382 M HA -0.148 4.332 4.480 -0.001 0.000 0.262 382 M C 2.538 178.880 176.300 0.069 0.000 1.067 382 M CA 1.867 57.215 55.300 0.079 0.000 1.124 382 M CB -1.691 30.973 32.600 0.107 0.000 1.353 382 M HN 0.336 nan 8.290 nan 0.000 0.410 383 A N 0.606 123.479 122.820 0.089 0.000 1.917 383 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 383 A C 2.460 179.917 177.584 -0.213 0.000 1.182 383 A CA 2.278 54.351 52.037 0.060 0.000 0.633 383 A CB -1.559 17.523 19.000 0.137 0.000 0.819 383 A HN 0.528 nan 8.150 nan 0.000 0.448 384 G N 0.044 108.769 108.800 -0.125 0.000 2.480 384 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.216 384 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.216 384 G C 1.535 176.339 174.900 -0.160 0.000 1.200 384 G CA 1.155 46.161 45.100 -0.156 0.000 0.782 384 G HN 0.478 nan 8.290 nan 0.000 0.554 385 I N 1.280 121.803 120.570 -0.079 0.000 2.145 385 I HA -0.266 3.904 4.170 -0.001 0.000 0.244 385 I C 2.458 178.534 176.117 -0.067 0.000 1.075 385 I CA 1.365 62.635 61.300 -0.051 0.000 1.332 385 I CB -0.268 37.730 38.000 -0.004 0.000 1.033 385 I HN 0.109 nan 8.210 nan 0.000 0.410 386 N N 0.816 119.478 118.700 -0.065 0.000 2.309 386 N HA -0.069 4.670 4.740 -0.001 0.000 0.182 386 N C 1.815 177.244 175.510 -0.135 0.000 1.018 386 N CA 1.334 54.390 53.050 0.009 0.000 0.876 386 N CB -0.307 38.320 38.487 0.233 0.000 0.972 386 N HN 0.389 nan 8.380 nan 0.000 0.434 387 A N 0.677 123.163 122.820 -0.556 0.000 1.930 387 A HA -0.058 4.262 4.320 -0.001 0.000 0.217 387 A C 2.408 179.880 177.584 -0.186 0.000 1.175 387 A CA 1.143 52.819 52.037 -0.603 0.000 0.627 387 A CB -0.598 17.947 19.000 -0.759 0.000 0.815 387 A HN 0.093 nan 8.150 nan 0.000 0.443 388 V N 0.262 120.094 119.914 -0.138 0.000 2.295 388 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 388 V C 2.638 178.720 176.094 -0.019 0.000 1.049 388 V CA 1.935 64.200 62.300 -0.059 0.000 1.024 388 V CB -0.893 30.898 31.823 -0.053 0.000 0.648 388 V HN 0.449 nan 8.190 nan 0.000 0.447 389 R N 0.413 120.908 120.500 -0.009 0.000 2.096 389 R HA -0.177 4.163 4.340 -0.001 0.000 0.235 389 R C 2.311 178.640 176.300 0.049 0.000 1.127 389 R CA 1.599 57.713 56.100 0.023 0.000 0.968 389 R CB -0.480 29.843 30.300 0.037 0.000 0.861 389 R HN 0.442 nan 8.270 nan 0.000 0.440 390 K N 1.022 121.471 120.400 0.081 0.000 2.025 390 K HA -0.028 4.292 4.320 -0.001 0.000 0.207 390 K C 2.060 178.710 176.600 0.083 0.000 1.049 390 K CA 1.085 57.441 56.287 0.115 0.000 0.933 390 K CB -0.244 32.388 32.500 0.219 0.000 0.714 390 K HN 0.055 nan 8.250 nan 0.000 0.438 391 I N 0.295 120.905 120.570 0.067 0.000 2.226 391 I HA -0.246 3.924 4.170 -0.001 0.000 0.245 391 I C 1.643 177.782 176.117 0.037 0.000 1.100 391 I CA 0.657 61.990 61.300 0.054 0.000 1.374 391 I CB -0.176 37.852 38.000 0.046 0.000 1.057 391 I HN 0.124 nan 8.210 nan 0.000 0.413 392 L N 0.477 121.716 121.223 0.027 0.000 2.217 392 L HA 0.016 4.356 4.340 -0.001 0.000 0.211 392 L C 1.768 178.652 176.870 0.024 0.000 1.107 392 L CA 1.561 56.413 54.840 0.019 0.000 0.783 392 L CB -1.289 40.776 42.059 0.009 0.000 0.919 392 L HN 0.469 nan 8.230 nan 0.000 0.442 393 G N -0.741 108.080 108.800 0.033 0.000 2.137 393 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.237 393 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.237 393 G C 0.626 175.545 174.900 0.031 0.000 1.002 393 G CA 0.572 45.693 45.100 0.034 0.000 0.702 393 G HN 0.352 nan 8.290 nan 0.000 0.515 394 K N 0.173 120.591 120.400 0.030 0.000 2.179 394 K HA 0.491 4.810 4.320 -0.001 0.000 0.238 394 K C 0.519 177.141 176.600 0.036 0.000 1.033 394 K CA -0.546 55.758 56.287 0.028 0.000 0.926 394 K CB 0.408 32.920 32.500 0.019 0.000 1.151 394 K HN 0.293 nan 8.250 nan 0.000 0.492 395 E N 1.316 121.536 120.200 0.034 0.000 2.344 395 E HA 0.086 4.435 4.350 -0.001 0.000 0.270 395 E C -0.568 176.060 176.600 0.047 0.000 1.021 395 E CA -0.022 56.401 56.400 0.038 0.000 0.887 395 E CB 0.402 30.123 29.700 0.034 0.000 0.997 395 E HN 0.272 nan 8.360 nan 0.000 0.429 396 L N 2.817 124.074 121.223 0.058 0.000 2.436 396 L HA 0.280 4.619 4.340 -0.001 0.000 0.265 396 L C -0.040 176.868 176.870 0.064 0.000 1.168 396 L CA -0.639 54.246 54.840 0.075 0.000 0.815 396 L CB 0.324 42.442 42.059 0.098 0.000 1.109 396 L HN 0.469 nan 8.230 nan 0.000 0.462 397 I N 2.009 122.621 120.570 0.071 0.000 2.339 397 I HA 0.274 4.444 4.170 -0.001 0.000 0.290 397 I C -0.297 175.861 176.117 0.068 0.000 0.994 397 I CA -0.076 61.261 61.300 0.062 0.000 1.191 397 I CB 1.678 39.711 38.000 0.056 0.000 1.343 397 I HN 0.115 nan 8.210 nan 0.000 0.458 398 V N 7.295 127.243 119.914 0.057 0.000 2.448 398 V HA 0.439 4.558 4.120 -0.001 0.000 0.295 398 V C 0.043 176.166 176.094 0.047 0.000 1.025 398 V CA -0.758 61.575 62.300 0.055 0.000 0.859 398 V CB 1.692 33.543 31.823 0.046 0.000 0.988 398 V HN 0.450 nan 8.190 nan 0.000 0.431 399 L N 3.765 125.018 121.223 0.051 0.000 2.350 399 L HA 0.634 4.973 4.340 -0.001 0.000 0.275 399 L C 1.060 177.946 176.870 0.027 0.000 1.099 399 L CA -0.026 54.841 54.840 0.045 0.000 0.808 399 L CB 1.016 43.110 42.059 0.059 0.000 1.149 399 L HN 0.776 nan 8.230 nan 0.000 0.442 400 G N 1.206 110.014 108.800 0.014 0.000 2.476 400 G HA2 0.301 4.261 3.960 -0.001 0.000 0.286 400 G HA3 0.301 4.261 3.960 -0.001 0.000 0.286 400 G C 0.565 175.436 174.900 -0.048 0.000 1.177 400 G CA -0.600 44.492 45.100 -0.013 0.000 0.870 400 G HN 0.735 nan 8.290 nan 0.000 0.528 401 R N 0.018 120.456 120.500 -0.102 0.000 2.328 401 R HA -0.025 4.315 4.340 -0.001 0.000 0.207 401 R C 0.960 177.074 176.300 -0.309 0.000 1.056 401 R CA 1.220 57.196 56.100 -0.206 0.000 1.016 401 R CB 0.213 30.353 30.300 -0.267 0.000 0.872 401 R HN 0.677 nan 8.270 nan 0.000 0.471 402 D N -0.513 119.780 120.400 -0.177 0.000 2.379 402 D HA -0.065 4.575 4.640 -0.001 0.000 0.208 402 D C 1.443 177.740 176.300 -0.006 0.000 1.065 402 D CA 0.242 54.197 54.000 -0.075 0.000 0.848 402 D CB 0.096 40.907 40.800 0.018 0.000 0.949 402 D HN 0.171 nan 8.370 nan 0.000 0.509 403 Q N 0.066 119.860 119.800 -0.011 0.000 2.226 403 Q HA 0.379 4.718 4.340 -0.001 0.000 0.199 403 Q C 0.337 176.368 176.000 0.052 0.000 0.945 403 Q CA 0.816 56.635 55.803 0.026 0.000 0.861 403 Q CB 0.678 29.434 28.738 0.029 0.000 0.953 403 Q HN 0.306 nan 8.270 nan 0.000 0.490 404 A N -1.428 121.419 122.820 0.045 0.000 2.604 404 A HA 0.355 4.674 4.320 -0.001 0.000 0.295 404 A C -0.985 176.661 177.584 0.102 0.000 1.067 404 A CA -0.655 51.451 52.037 0.115 0.000 0.683 404 A CB 0.031 19.109 19.000 0.130 0.000 1.281 404 A HN 0.217 nan 8.150 nan 0.000 0.407 405 Y N 0.855 121.195 120.300 0.067 0.000 2.274 405 Y HA -0.175 4.374 4.550 -0.001 0.000 0.290 405 Y C 2.019 177.968 175.900 0.081 0.000 1.145 405 Y CA 2.285 60.428 58.100 0.072 0.000 1.203 405 Y CB -0.244 38.265 38.460 0.081 0.000 0.984 405 Y HN 0.655 nan 8.280 nan 0.000 0.533 406 I N -0.914 119.798 120.570 0.237 0.000 2.286 406 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 406 I C 2.637 178.829 176.117 0.126 0.000 1.115 406 I CA 1.350 62.753 61.300 0.172 0.000 1.392 406 I CB -0.826 37.264 38.000 0.150 0.000 1.065 406 I HN 0.253 nan 8.210 nan 0.000 0.418 407 G N 0.653 109.507 108.800 0.091 0.000 2.404 407 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.215 407 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.215 407 G C 1.718 176.635 174.900 0.029 0.000 1.174 407 G CA 0.834 45.963 45.100 0.048 0.000 0.780 407 G HN 0.223 nan 8.290 nan 0.000 0.537 408 V N 0.988 120.906 119.914 0.008 0.000 2.255 408 V HA -0.191 3.929 4.120 -0.001 0.000 0.247 408 V C 2.696 178.839 176.094 0.081 0.000 1.051 408 V CA 1.839 64.138 62.300 -0.001 0.000 1.018 408 V CB -0.628 31.160 31.823 -0.058 0.000 0.641 408 V HN 0.401 nan 8.190 nan 0.000 0.445 409 L N -0.522 120.794 121.223 0.156 0.000 1.989 409 L HA -0.218 4.121 4.340 -0.001 0.000 0.211 409 L C 2.336 179.295 176.870 0.148 0.000 1.071 409 L CA 2.013 56.998 54.840 0.241 0.000 0.749 409 L CB -0.241 41.968 42.059 0.251 0.000 0.890 409 L HN 0.218 nan 8.230 nan 0.000 0.431 410 I N -0.243 120.396 120.570 0.116 0.000 2.286 410 I HA -0.300 3.870 4.170 -0.001 0.000 0.248 410 I C 2.073 178.220 176.117 0.050 0.000 1.115 410 I CA 1.541 62.896 61.300 0.090 0.000 1.392 410 I CB -0.364 37.694 38.000 0.095 0.000 1.065 410 I HN 0.414 nan 8.210 nan 0.000 0.418 411 D N 1.034 121.453 120.400 0.031 0.000 2.084 411 D HA -0.209 4.431 4.640 -0.001 0.000 0.196 411 D C 1.713 177.994 176.300 -0.031 0.000 0.985 411 D CA 1.470 55.473 54.000 0.005 0.000 0.826 411 D CB 0.006 40.803 40.800 -0.006 0.000 0.978 411 D HN 0.147 nan 8.370 nan 0.000 0.456 412 D N -0.141 120.217 120.400 -0.069 0.000 2.149 412 D HA -0.134 4.506 4.640 -0.001 0.000 0.198 412 D C 2.071 178.190 176.300 -0.301 0.000 0.990 412 D CA 0.305 54.184 54.000 -0.201 0.000 0.839 412 D CB -0.221 40.412 40.800 -0.280 0.000 0.948 412 D HN 0.232 nan 8.370 nan 0.000 0.460 413 L N 0.699 121.791 121.223 -0.217 0.000 1.955 413 L HA -0.159 4.181 4.340 -0.001 0.000 0.213 413 L C 2.347 179.206 176.870 -0.018 0.000 1.072 413 L CA 1.478 56.238 54.840 -0.133 0.000 0.755 413 L CB -0.423 41.646 42.059 0.018 0.000 0.888 413 L HN 0.119 nan 8.230 nan 0.000 0.432 414 I N -3.808 116.782 120.570 0.034 0.000 2.614 414 I HA -0.180 3.990 4.170 -0.001 0.000 0.258 414 I C 2.027 178.203 176.117 0.098 0.000 1.189 414 I CA 1.246 62.602 61.300 0.094 0.000 1.462 414 I CB -0.624 37.430 38.000 0.090 0.000 1.092 414 I HN 0.158 nan 8.210 nan 0.000 0.442 415 T N 0.304 114.876 114.554 0.031 0.000 2.896 415 T HA 0.002 4.352 4.350 -0.001 0.000 0.238 415 T C 0.813 175.523 174.700 0.017 0.000 1.045 415 T CA 0.291 62.403 62.100 0.021 0.000 1.248 415 T CB -0.090 68.771 68.868 -0.012 0.000 0.955 415 T HN 0.163 nan 8.240 nan 0.000 0.416 416 K N 2.870 123.240 120.400 -0.049 0.000 2.351 416 K HA 0.040 4.359 4.320 -0.001 0.000 0.287 416 K C -0.641 175.959 176.600 0.001 0.000 1.068 416 K CA 0.089 56.348 56.287 -0.047 0.000 0.998 416 K CB 0.255 32.686 32.500 -0.114 0.000 0.968 416 K HN 0.093 nan 8.250 nan 0.000 0.464 417 E N 3.508 123.753 120.200 0.075 0.000 2.081 417 E HA 0.168 4.518 4.350 -0.001 0.000 0.276 417 E C -1.345 175.331 176.600 0.128 0.000 0.950 417 E CA -0.300 56.196 56.400 0.161 0.000 0.776 417 E CB 1.481 31.348 29.700 0.278 0.000 1.094 417 E HN 0.424 nan 8.360 nan 0.000 0.402 418 T N 3.263 117.888 114.554 0.119 0.000 2.916 418 T HA 0.268 4.618 4.350 -0.001 0.000 0.305 418 T C 0.483 175.229 174.700 0.077 0.000 1.119 418 T CA -0.660 61.493 62.100 0.088 0.000 1.008 418 T CB 1.044 69.948 68.868 0.060 0.000 1.129 418 T HN 0.532 nan 8.240 nan 0.000 0.480 419 K N 0.940 121.377 120.400 0.061 0.000 2.520 419 K HA -0.028 4.292 4.320 -0.001 0.000 0.197 419 K C 0.523 177.102 176.600 -0.035 0.000 1.043 419 K CA 0.913 57.221 56.287 0.035 0.000 0.944 419 K CB 0.160 32.674 32.500 0.023 0.000 0.770 419 K HN 0.530 nan 8.250 nan 0.000 0.480 420 E N 0.555 120.735 120.200 -0.033 0.000 2.227 420 E HA 0.224 4.574 4.350 -0.001 0.000 0.268 420 E C -2.600 173.965 176.600 -0.059 0.000 0.907 420 E CA -2.762 53.608 56.400 -0.050 0.000 0.786 420 E CB 1.533 31.230 29.700 -0.006 0.000 1.191 420 E HN -0.150 nan 8.360 nan 0.000 0.411 421 P HA -0.069 nan 4.420 nan 0.000 0.267 421 P C -1.202 176.138 177.300 0.067 0.000 1.205 421 P CA 0.273 63.349 63.100 -0.039 0.000 0.765 421 P CB 0.117 31.806 31.700 -0.018 0.000 0.828 422 Y N 4.313 124.595 120.300 -0.030 0.000 2.537 422 Y HA 0.134 4.683 4.550 -0.001 0.000 0.339 422 Y C 0.699 176.614 175.900 0.025 0.000 1.066 422 Y CA -0.089 58.012 58.100 0.002 0.000 1.357 422 Y CB 0.512 38.982 38.460 0.016 0.000 1.175 422 Y HN 0.273 nan 8.280 nan 0.000 0.525 423 R N 5.768 126.026 120.500 -0.403 0.000 2.604 423 R HA 0.270 4.610 4.340 -0.001 0.000 0.287 423 R C 0.564 176.510 176.300 -0.591 0.000 0.970 423 R CA -0.939 54.964 56.100 -0.328 0.000 0.946 423 R CB 1.341 31.663 30.300 0.037 0.000 1.127 423 R HN 0.752 nan 8.270 nan 0.000 0.473 424 M N 1.900 121.310 119.600 -0.317 0.000 2.506 424 M HA -0.021 4.458 4.480 -0.001 0.000 0.260 424 M C 1.723 177.978 176.300 -0.075 0.000 1.104 424 M CA 1.108 56.280 55.300 -0.214 0.000 1.112 424 M CB -0.438 32.140 32.600 -0.037 0.000 1.401 424 M HN 0.634 nan 8.290 nan 0.000 0.473 425 F N 0.414 120.285 119.950 -0.131 0.000 2.046 425 F HA -0.186 4.341 4.527 -0.001 0.000 0.297 425 F C 2.369 178.144 175.800 -0.041 0.000 1.123 425 F CA 2.025 59.981 58.000 -0.072 0.000 1.199 425 F CB -1.427 37.527 39.000 -0.076 0.000 0.972 425 F HN 0.050 nan 8.300 nan 0.000 0.474 426 T N -0.117 113.688 114.554 -1.249 0.000 2.881 426 T HA -0.144 4.206 4.350 -0.001 0.000 0.270 426 T C 1.211 175.713 174.700 -0.330 0.000 1.068 426 T CA 0.928 62.512 62.100 -0.860 0.000 1.131 426 T CB -0.880 67.477 68.868 -0.853 0.000 0.871 426 T HN 0.381 nan 8.240 nan 0.000 0.479 427 S N 1.503 117.060 115.700 -0.239 0.000 2.643 427 S HA 0.075 4.544 4.470 -0.001 0.000 0.329 427 S C 0.441 175.042 174.600 0.002 0.000 1.193 427 S CA -0.273 57.899 58.200 -0.046 0.000 1.293 427 S CB -0.383 62.819 63.200 0.003 0.000 1.205 427 S HN 0.334 nan 8.310 nan 0.000 0.550 428 S N 5.001 120.703 115.700 0.003 0.000 3.149 428 S HA 0.342 4.811 4.470 -0.001 0.000 0.228 428 S C 0.640 175.263 174.600 0.039 0.000 1.393 428 S CA -0.230 57.984 58.200 0.023 0.000 1.224 428 S CB -0.368 62.835 63.200 0.006 0.000 1.112 428 S HN 0.951 nan 8.310 nan 0.000 0.502 429 A N 2.192 125.035 122.820 0.038 0.000 2.504 429 A HA -0.039 4.281 4.320 -0.001 0.000 0.280 429 A C 1.425 179.033 177.584 0.039 0.000 1.125 429 A CA 0.089 52.129 52.037 0.004 0.000 0.873 429 A CB -0.371 18.538 19.000 -0.151 0.000 0.997 429 A HN 0.831 nan 8.150 nan 0.000 0.542 430 E N 2.018 122.266 120.200 0.080 0.000 2.284 430 E HA -0.218 4.132 4.350 -0.001 0.000 0.200 430 E C 0.105 176.710 176.600 0.008 0.000 1.008 430 E CA 1.504 57.934 56.400 0.049 0.000 0.829 430 E CB -0.376 29.344 29.700 0.034 0.000 0.744 430 E HN 0.840 nan 8.360 nan 0.000 0.491 431 H N 1.005 120.043 119.070 -0.054 0.000 3.109 431 H HA 0.236 4.792 4.556 -0.001 0.000 0.266 431 H C 0.546 175.833 175.328 -0.069 0.000 1.334 431 H CA -0.169 55.845 56.048 -0.057 0.000 1.456 431 H CB 0.595 30.308 29.762 -0.082 0.000 1.587 431 H HN 0.194 nan 8.280 nan 0.000 0.500 432 R N 1.556 122.085 120.500 0.048 0.000 2.098 432 R HA 0.074 4.413 4.340 -0.001 0.000 0.203 432 R C 2.129 178.468 176.300 0.064 0.000 1.166 432 R CA -0.052 56.089 56.100 0.067 0.000 1.090 432 R CB 0.173 30.500 30.300 0.046 0.000 0.992 432 R HN 0.329 nan 8.270 nan 0.000 0.477 433 L N 1.655 122.890 121.223 0.019 0.000 2.046 433 L HA -0.120 4.220 4.340 -0.001 0.000 0.208 433 L C 2.349 179.229 176.870 0.016 0.000 1.077 433 L CA 1.355 56.185 54.840 -0.017 0.000 0.747 433 L CB -0.354 41.689 42.059 -0.025 0.000 0.896 433 L HN 0.277 nan 8.230 nan 0.000 0.432 434 I N -3.238 117.360 120.570 0.047 0.000 3.001 434 I HA -0.169 4.001 4.170 -0.001 0.000 0.268 434 I C 1.511 177.678 176.117 0.082 0.000 1.267 434 I CA 1.205 62.542 61.300 0.062 0.000 1.472 434 I CB -0.197 37.850 38.000 0.077 0.000 1.089 434 I HN 0.133 nan 8.210 nan 0.000 0.468 435 L N 1.971 123.262 121.223 0.114 0.000 2.959 435 L HA 0.315 4.655 4.340 -0.001 0.000 0.259 435 L C 0.762 177.801 176.870 0.282 0.000 1.185 435 L CA -0.477 54.479 54.840 0.193 0.000 0.998 435 L CB -0.146 41.998 42.059 0.142 0.000 1.337 435 L HN 0.298 nan 8.230 nan 0.000 0.555 436 R N -0.141 120.448 120.500 0.149 0.000 2.756 436 R HA -0.067 4.272 4.340 -0.001 0.000 0.264 436 R C 1.438 177.773 176.300 0.058 0.000 1.026 436 R CA 0.220 56.371 56.100 0.084 0.000 1.121 436 R CB 0.081 30.356 30.300 -0.042 0.000 0.999 436 R HN 0.306 nan 8.270 nan 0.000 0.449 437 H N 1.652 120.748 119.070 0.043 0.000 2.390 437 H HA -0.160 4.396 4.556 -0.000 0.000 0.298 437 H C 0.386 175.772 175.328 0.097 0.000 1.106 437 H CA 1.959 58.018 56.048 0.019 0.000 1.297 437 H CB -0.104 29.607 29.762 -0.084 0.000 1.375 437 H HN 0.878 nan 8.280 nan 0.000 0.509 438 D N 0.471 120.537 120.400 -0.557 0.000 2.349 438 D HA -0.089 4.551 4.640 -0.001 0.000 0.224 438 D C 0.784 177.102 176.300 0.029 0.000 1.029 438 D CA 0.601 54.432 54.000 -0.282 0.000 0.879 438 D CB -0.250 40.247 40.800 -0.505 0.000 0.906 438 D HN 0.616 nan 8.370 nan 0.000 0.528 439 N N -0.649 118.077 118.700 0.043 0.000 2.160 439 N HA 0.241 4.980 4.740 -0.001 0.000 0.226 439 N C 1.302 176.819 175.510 0.011 0.000 1.256 439 N CA 0.132 53.191 53.050 0.016 0.000 0.890 439 N CB -0.071 38.412 38.487 -0.007 0.000 1.116 439 N HN 0.107 nan 8.380 nan 0.000 0.517 440 A N 1.620 124.519 122.820 0.132 0.000 1.948 440 A HA -0.284 4.035 4.320 -0.001 0.000 0.220 440 A C 1.851 179.403 177.584 -0.053 0.000 1.177 440 A CA 2.098 54.217 52.037 0.138 0.000 0.636 440 A CB -0.693 18.510 19.000 0.337 0.000 0.815 440 A HN 0.592 nan 8.150 nan 0.000 0.449 441 D N 0.713 120.853 120.400 -0.433 0.000 2.097 441 D HA -0.180 4.460 4.640 -0.001 0.000 0.195 441 D C 1.866 178.000 176.300 -0.276 0.000 0.989 441 D CA 1.590 55.238 54.000 -0.587 0.000 0.827 441 D CB -0.959 39.066 40.800 -1.291 0.000 0.966 441 D HN 0.507 nan 8.370 nan 0.000 0.456 442 L N -0.119 120.973 121.223 -0.219 0.000 2.042 442 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 442 L C 3.002 179.838 176.870 -0.057 0.000 1.076 442 L CA 1.309 56.082 54.840 -0.111 0.000 0.749 442 L CB -0.609 41.405 42.059 -0.076 0.000 0.893 442 L HN -0.074 nan 8.230 nan 0.000 0.432 443 R N 0.212 120.691 120.500 -0.036 0.000 2.075 443 R HA -0.051 4.288 4.340 -0.001 0.000 0.232 443 R C 2.048 178.354 176.300 0.011 0.000 1.126 443 R CA 1.251 57.354 56.100 0.004 0.000 0.963 443 R CB -0.152 30.168 30.300 0.034 0.000 0.858 443 R HN 0.355 nan 8.270 nan 0.000 0.435 444 L N -1.413 119.813 121.223 0.004 0.000 2.672 444 L HA 0.213 4.553 4.340 -0.001 0.000 0.236 444 L C 2.075 178.957 176.870 0.021 0.000 1.092 444 L CA -0.168 54.689 54.840 0.028 0.000 0.887 444 L CB 0.077 42.170 42.059 0.058 0.000 1.168 444 L HN -0.113 nan 8.230 nan 0.000 0.502 445 R N 1.305 121.796 120.500 -0.015 0.000 2.103 445 R HA -0.211 4.129 4.340 -0.001 0.000 0.242 445 R C 2.179 178.496 176.300 0.028 0.000 1.142 445 R CA 1.740 57.833 56.100 -0.011 0.000 0.960 445 R CB -0.219 30.044 30.300 -0.063 0.000 0.858 445 R HN 0.155 nan 8.270 nan 0.000 0.439 446 K N -0.227 120.185 120.400 0.021 0.000 2.097 446 K HA -0.078 4.242 4.320 -0.001 0.000 0.206 446 K C 1.885 178.543 176.600 0.097 0.000 1.049 446 K CA 1.622 57.938 56.287 0.049 0.000 0.933 446 K CB -0.096 32.418 32.500 0.023 0.000 0.717 446 K HN 0.184 nan 8.250 nan 0.000 0.442 447 I N 0.118 120.729 120.570 0.068 0.000 2.286 447 I HA -0.181 3.988 4.170 -0.001 0.000 0.248 447 I C 2.411 178.569 176.117 0.068 0.000 1.115 447 I CA 1.271 62.611 61.300 0.067 0.000 1.392 447 I CB -0.668 37.365 38.000 0.055 0.000 1.065 447 I HN 0.299 nan 8.210 nan 0.000 0.418 448 G N 0.367 109.210 108.800 0.071 0.000 2.446 448 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.217 448 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.217 448 G C 1.642 176.581 174.900 0.065 0.000 1.168 448 G CA 0.881 46.019 45.100 0.064 0.000 0.771 448 G HN 0.370 nan 8.290 nan 0.000 0.551 449 Y N 1.908 122.196 120.300 -0.020 0.000 2.097 449 Y HA -0.189 4.360 4.550 -0.001 0.000 0.282 449 Y C 2.405 178.293 175.900 -0.020 0.000 1.152 449 Y CA 2.279 60.359 58.100 -0.034 0.000 1.136 449 Y CB -0.491 37.932 38.460 -0.061 0.000 0.975 449 Y HN 0.312 nan 8.280 nan 0.000 0.498 450 D N -1.210 119.191 120.400 0.001 0.000 2.315 450 D HA -0.186 4.453 4.640 -0.001 0.000 0.211 450 D C 1.205 177.432 176.300 -0.122 0.000 0.977 450 D CA 1.522 55.479 54.000 -0.072 0.000 0.894 450 D CB -0.230 40.592 40.800 0.037 0.000 0.910 450 D HN 0.358 nan 8.370 nan 0.000 0.490 451 C N -0.040 119.198 119.300 -0.103 0.000 2.668 451 C HA 0.306 4.765 4.460 -0.001 0.000 0.301 451 C C 0.611 175.537 174.990 -0.107 0.000 1.351 451 C CA -0.878 58.092 59.018 -0.079 0.000 1.757 451 C CB -1.652 26.071 27.740 -0.029 0.000 2.179 451 C HN 0.295 nan 8.230 nan 0.000 0.586 452 N N 0.563 119.146 118.700 -0.196 0.000 2.721 452 N HA -0.156 4.584 4.740 -0.001 0.000 0.249 452 N C 0.308 175.761 175.510 -0.096 0.000 1.072 452 N CA 0.674 53.612 53.050 -0.187 0.000 0.710 452 N CB -1.051 37.350 38.487 -0.142 0.000 0.993 452 N HN 0.616 nan 8.380 nan 0.000 0.547 453 L N -2.630 118.555 121.223 -0.062 0.000 2.749 453 L HA 0.294 4.634 4.340 -0.001 0.000 0.242 453 L C 0.078 176.961 176.870 0.021 0.000 1.103 453 L CA 0.090 54.924 54.840 -0.010 0.000 0.906 453 L CB 0.524 42.588 42.059 0.008 0.000 1.228 453 L HN -0.071 nan 8.230 nan 0.000 0.517 454 V N 0.685 120.621 119.914 0.036 0.000 2.495 454 V HA 0.304 4.424 4.120 -0.001 0.000 0.298 454 V C 0.403 176.567 176.094 0.117 0.000 1.031 454 V CA -0.782 61.565 62.300 0.078 0.000 0.871 454 V CB 1.724 33.603 31.823 0.093 0.000 0.988 454 V HN 0.300 nan 8.190 nan 0.000 0.432 455 S N 3.377 119.128 115.700 0.085 0.000 2.593 455 S HA 0.160 4.629 4.470 -0.001 0.000 0.269 455 S C 1.236 175.879 174.600 0.071 0.000 1.334 455 S CA 0.096 58.348 58.200 0.086 0.000 1.015 455 S CB 1.194 64.427 63.200 0.055 0.000 0.912 455 S HN 0.661 nan 8.310 nan 0.000 0.541 456 S N 0.684 116.416 115.700 0.052 0.000 2.368 456 S HA -0.132 4.337 4.470 -0.001 0.000 0.225 456 S C 1.548 176.094 174.600 -0.091 0.000 1.030 456 S CA 1.141 59.250 58.200 -0.152 0.000 0.999 456 S CB -0.643 62.529 63.200 -0.046 0.000 0.844 456 S HN 0.889 nan 8.310 nan 0.000 0.459 457 D N 1.071 121.493 120.400 0.036 0.000 2.221 457 D HA -0.141 4.499 4.640 -0.001 0.000 0.204 457 D C 1.185 177.506 176.300 0.035 0.000 0.982 457 D CA 0.934 54.970 54.000 0.060 0.000 0.857 457 D CB -0.050 40.782 40.800 0.053 0.000 0.934 457 D HN 0.254 nan 8.370 nan 0.000 0.475 458 D N 0.137 120.546 120.400 0.014 0.000 2.107 458 D HA -0.103 4.536 4.640 -0.001 0.000 0.204 458 D C 2.220 178.502 176.300 -0.030 0.000 0.978 458 D CA 0.299 54.304 54.000 0.008 0.000 0.852 458 D CB -0.474 40.343 40.800 0.027 0.000 1.008 458 D HN 0.207 nan 8.370 nan 0.000 0.458 459 L N 0.957 122.129 121.223 -0.085 0.000 1.990 459 L HA -0.225 4.115 4.340 -0.001 0.000 0.213 459 L C 2.038 178.830 176.870 -0.129 0.000 1.072 459 L CA 2.043 56.789 54.840 -0.156 0.000 0.755 459 L CB -0.904 40.963 42.059 -0.319 0.000 0.889 459 L HN 0.161 nan 8.230 nan 0.000 0.432 460 H N -1.609 117.404 119.070 -0.096 0.000 2.457 460 H HA -0.114 4.441 4.556 -0.001 0.000 0.294 460 H C 2.156 177.448 175.328 -0.061 0.000 1.064 460 H CA 0.894 56.889 56.048 -0.088 0.000 1.330 460 H CB 0.098 29.811 29.762 -0.082 0.000 1.395 460 H HN 0.307 nan 8.280 nan 0.000 0.541 461 R N 0.396 120.933 120.500 0.061 0.000 2.119 461 R HA -0.055 4.284 4.340 -0.001 0.000 0.222 461 R C 2.219 178.516 176.300 -0.006 0.000 1.088 461 R CA 1.623 57.737 56.100 0.024 0.000 0.984 461 R CB -0.621 29.692 30.300 0.021 0.000 0.884 461 R HN 0.062 nan 8.270 nan 0.000 0.447 462 T N -0.142 114.396 114.554 -0.026 0.000 2.985 462 T HA 0.035 4.385 4.350 -0.001 0.000 0.266 462 T C 1.179 175.857 174.700 -0.038 0.000 1.076 462 T CA 1.044 63.111 62.100 -0.055 0.000 1.135 462 T CB -0.089 68.721 68.868 -0.097 0.000 0.890 462 T HN 0.420 nan 8.240 nan 0.000 0.480 463 E N 0.781 120.971 120.200 -0.017 0.000 2.268 463 E HA -0.070 4.280 4.350 -0.001 0.000 0.195 463 E C 2.275 178.869 176.600 -0.010 0.000 0.995 463 E CA 1.278 57.674 56.400 -0.006 0.000 0.836 463 E CB 0.026 29.738 29.700 0.020 0.000 0.763 463 E HN 0.605 nan 8.360 nan 0.000 0.491 464 S N 0.227 115.918 115.700 -0.014 0.000 2.486 464 S HA 0.019 4.488 4.470 -0.001 0.000 0.220 464 S C 1.935 176.515 174.600 -0.032 0.000 1.011 464 S CA -0.149 58.033 58.200 -0.031 0.000 0.921 464 S CB 0.002 63.181 63.200 -0.034 0.000 0.785 464 S HN 0.228 nan 8.310 nan 0.000 0.517 465 I N 2.073 122.629 120.570 -0.024 0.000 2.439 465 I HA -0.019 4.150 4.170 -0.001 0.000 0.251 465 I C 2.149 178.259 176.117 -0.012 0.000 1.139 465 I CA 1.041 62.329 61.300 -0.020 0.000 1.438 465 I CB -0.106 37.881 38.000 -0.022 0.000 1.085 465 I HN 0.489 nan 8.210 nan 0.000 0.427 466 I N -1.617 118.947 120.570 -0.011 0.000 2.353 466 I HA -0.180 3.990 4.170 -0.001 0.000 0.248 466 I C 2.261 178.392 176.117 0.024 0.000 1.119 466 I CA 1.180 62.482 61.300 0.004 0.000 1.417 466 I CB -0.691 37.309 38.000 0.000 0.000 1.078 466 I HN -0.041 nan 8.210 nan 0.000 0.421 467 K N 1.247 121.656 120.400 0.014 0.000 2.103 467 K HA -0.127 4.193 4.320 -0.001 0.000 0.207 467 K C 2.330 178.960 176.600 0.050 0.000 1.048 467 K CA 1.737 58.045 56.287 0.034 0.000 0.930 467 K CB -0.157 32.315 32.500 -0.047 0.000 0.716 467 K HN 0.360 nan 8.250 nan 0.000 0.444 468 R N 0.205 120.702 120.500 -0.004 0.000 2.090 468 R HA -0.049 4.291 4.340 -0.001 0.000 0.228 468 R C 2.274 178.615 176.300 0.069 0.000 1.110 468 R CA 0.738 56.846 56.100 0.012 0.000 0.973 468 R CB -0.311 29.980 30.300 -0.014 0.000 0.869 468 R HN -0.034 nan 8.270 nan 0.000 0.440 469 V N 2.077 122.023 119.914 0.052 0.000 2.261 469 V HA -0.321 3.799 4.120 -0.001 0.000 0.246 469 V C 2.488 178.620 176.094 0.063 0.000 1.047 469 V CA 2.259 64.589 62.300 0.049 0.000 1.015 469 V CB -0.700 31.143 31.823 0.034 0.000 0.642 469 V HN 0.468 nan 8.190 nan 0.000 0.446 470 Q N -0.553 119.291 119.800 0.074 0.000 2.124 470 Q HA -0.268 4.072 4.340 -0.001 0.000 0.202 470 Q C 2.046 178.081 176.000 0.059 0.000 0.977 470 Q CA 2.337 58.176 55.803 0.060 0.000 0.850 470 Q CB -0.652 28.119 28.738 0.055 0.000 0.901 470 Q HN 0.687 nan 8.270 nan 0.000 0.429 471 H N -0.267 118.804 119.070 0.003 0.000 2.422 471 H HA -0.099 4.457 4.556 -0.000 0.000 0.298 471 H C 2.030 177.360 175.328 0.003 0.000 1.098 471 H CA 1.547 57.596 56.048 0.002 0.000 1.315 471 H CB -0.264 29.497 29.762 -0.000 0.000 1.382 471 H HN 0.497 nan 8.280 nan 0.000 0.523 472 C N -0.266 119.106 119.300 0.119 0.000 2.486 472 C HA -0.003 4.456 4.460 -0.001 0.000 0.279 472 C C 2.547 177.559 174.990 0.037 0.000 1.302 472 C CA 0.339 59.397 59.018 0.067 0.000 1.720 472 C CB -1.175 26.598 27.740 0.055 0.000 2.030 472 C HN 0.521 nan 8.230 nan 0.000 0.490 473 L N 0.905 122.146 121.223 0.031 0.000 2.265 473 L HA -0.096 4.244 4.340 -0.001 0.000 0.215 473 L C 2.651 179.520 176.870 -0.002 0.000 1.117 473 L CA 1.119 55.969 54.840 0.016 0.000 0.782 473 L CB -0.692 41.377 42.059 0.017 0.000 0.914 473 L HN 0.403 nan 8.230 nan 0.000 0.441 474 E N 0.075 120.264 120.200 -0.018 0.000 2.051 474 E HA -0.159 4.191 4.350 -0.001 0.000 0.192 474 E C 2.343 178.931 176.600 -0.019 0.000 0.991 474 E CA 1.261 57.638 56.400 -0.039 0.000 0.799 474 E CB -0.233 29.414 29.700 -0.089 0.000 0.748 474 E HN 0.354 nan 8.360 nan 0.000 0.449 475 V N 1.241 121.152 119.914 -0.004 0.000 2.788 475 V HA -0.131 3.989 4.120 -0.001 0.000 0.251 475 V C 2.100 178.199 176.094 0.007 0.000 1.068 475 V CA 0.835 63.138 62.300 0.004 0.000 1.090 475 V CB -0.309 31.524 31.823 0.016 0.000 0.710 475 V HN 0.214 nan 8.190 nan 0.000 0.467 476 M N -0.223 119.383 119.600 0.010 0.000 2.632 476 M HA -0.046 4.433 4.480 -0.001 0.000 0.256 476 M C 1.775 178.079 176.300 0.007 0.000 1.080 476 M CA 1.327 56.634 55.300 0.012 0.000 1.084 476 M CB -0.958 31.652 32.600 0.016 0.000 1.439 476 M HN 0.374 nan 8.290 nan 0.000 0.509 477 K N -1.176 119.225 120.400 0.002 0.000 2.244 477 K HA 0.091 4.411 4.320 -0.001 0.000 0.200 477 K C 1.893 178.492 176.600 -0.002 0.000 1.052 477 K CA 1.003 57.289 56.287 -0.001 0.000 0.980 477 K CB 0.105 32.601 32.500 -0.005 0.000 0.838 477 K HN 0.207 nan 8.250 nan 0.000 0.481 478 T N 1.746 116.299 114.554 -0.002 0.000 2.812 478 T HA 0.023 4.373 4.350 -0.001 0.000 0.264 478 T C 1.065 175.766 174.700 0.002 0.000 1.042 478 T CA 0.610 62.709 62.100 -0.002 0.000 1.140 478 T CB -0.178 68.689 68.868 -0.003 0.000 0.870 478 T HN 0.228 nan 8.240 nan 0.000 0.445 479 A N 2.838 125.661 122.820 0.005 0.000 2.540 479 A HA 0.325 4.645 4.320 -0.001 0.000 0.239 479 A C 0.406 177.995 177.584 0.007 0.000 1.061 479 A CA -0.100 51.942 52.037 0.008 0.000 0.758 479 A CB -0.101 18.906 19.000 0.011 0.000 0.991 479 A HN 0.622 nan 8.150 nan 0.000 0.502 480 K N 0.559 120.964 120.400 0.008 0.000 2.259 480 K HA 0.723 5.042 4.320 -0.001 0.000 0.249 480 K C -1.131 175.475 176.600 0.010 0.000 0.942 480 K CA -0.818 55.473 56.287 0.007 0.000 0.816 480 K CB 2.006 34.509 32.500 0.005 0.000 1.155 480 K HN 0.586 nan 8.250 nan 0.000 0.428 481 V N -1.478 118.441 119.914 0.008 0.000 2.488 481 V HA 0.330 4.449 4.120 -0.001 0.000 0.293 481 V C -0.011 176.086 176.094 0.005 0.000 1.027 481 V CA -0.856 61.450 62.300 0.010 0.000 0.862 481 V CB 0.710 32.542 31.823 0.014 0.000 1.008 481 V HN 0.974 nan 8.190 nan 0.000 0.428 482 T N 2.021 116.578 114.554 0.005 0.000 2.900 482 T HA 0.350 4.700 4.350 -0.001 0.000 0.307 482 T C -1.069 173.628 174.700 -0.006 0.000 1.065 482 T CA -1.040 61.060 62.100 0.000 0.000 1.105 482 T CB 1.210 70.079 68.868 0.003 0.000 0.979 482 T HN 0.616 nan 8.240 nan 0.000 0.544 483 P HA 0.080 nan 4.420 nan 0.000 0.239 483 P C 1.178 178.466 177.300 -0.020 0.000 1.184 483 P CA 0.401 63.491 63.100 -0.017 0.000 0.760 483 P CB -0.313 31.378 31.700 -0.014 0.000 0.884 484 A N 0.621 123.434 122.820 -0.013 0.000 1.929 484 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 484 A C 2.048 179.622 177.584 -0.018 0.000 1.176 484 A CA 1.366 53.397 52.037 -0.011 0.000 0.628 484 A CB -0.633 18.367 19.000 -0.001 0.000 0.816 484 A HN 0.126 nan 8.150 nan 0.000 0.444 485 E N -0.321 119.867 120.200 -0.019 0.000 2.166 485 E HA 0.105 4.454 4.350 -0.001 0.000 0.192 485 E C 1.610 178.126 176.600 -0.140 0.000 0.967 485 E CA 0.945 57.328 56.400 -0.027 0.000 0.840 485 E CB -0.064 29.655 29.700 0.032 0.000 0.795 485 E HN 0.725 nan 8.360 nan 0.000 0.470 486 I N 0.184 120.681 120.570 -0.121 0.000 3.645 486 I HA 0.047 4.217 4.170 -0.001 0.000 0.300 486 I C 1.478 177.510 176.117 -0.142 0.000 1.260 486 I CA 0.019 61.215 61.300 -0.174 0.000 1.365 486 I CB -0.071 37.875 38.000 -0.090 0.000 1.077 486 I HN -0.044 nan 8.210 nan 0.000 0.439 487 N N 1.592 120.236 118.700 -0.093 0.000 2.104 487 N HA -0.155 4.584 4.740 -0.001 0.000 0.190 487 N C 2.053 177.520 175.510 -0.070 0.000 1.024 487 N CA 2.321 55.331 53.050 -0.066 0.000 0.853 487 N CB -0.392 38.069 38.487 -0.043 0.000 1.008 487 N HN 0.493 nan 8.380 nan 0.000 0.424 488 T N -0.959 113.543 114.554 -0.086 0.000 2.904 488 T HA -0.061 4.289 4.350 -0.001 0.000 0.267 488 T C 2.043 176.689 174.700 -0.090 0.000 1.059 488 T CA 0.530 62.587 62.100 -0.072 0.000 1.137 488 T CB -0.467 68.368 68.868 -0.054 0.000 0.879 488 T HN 0.072 nan 8.240 nan 0.000 0.467 489 L N 0.843 121.965 121.223 -0.169 0.000 2.017 489 L HA 0.178 4.518 4.340 -0.001 0.000 0.208 489 L C 2.331 179.154 176.870 -0.077 0.000 1.073 489 L CA 1.552 56.298 54.840 -0.158 0.000 0.745 489 L CB -0.632 41.237 42.059 -0.316 0.000 0.894 489 L HN 0.235 nan 8.230 nan 0.000 0.432 490 L N -1.470 119.707 121.223 -0.077 0.000 2.201 490 L HA -0.182 4.158 4.340 -0.001 0.000 0.212 490 L C 2.576 179.429 176.870 -0.029 0.000 1.105 490 L CA 1.000 55.815 54.840 -0.043 0.000 0.775 490 L CB -0.482 41.553 42.059 -0.041 0.000 0.913 490 L HN 0.352 nan 8.230 nan 0.000 0.440 491 M N -0.216 119.364 119.600 -0.032 0.000 2.108 491 M HA -0.206 4.273 4.480 -0.001 0.000 0.261 491 M C 1.929 178.221 176.300 -0.013 0.000 1.066 491 M CA 1.690 56.977 55.300 -0.021 0.000 1.107 491 M CB -0.377 32.210 32.600 -0.021 0.000 1.356 491 M HN 0.380 nan 8.290 nan 0.000 0.406 492 N N 0.161 118.853 118.700 -0.013 0.000 2.207 492 N HA -0.087 4.652 4.740 -0.001 0.000 0.182 492 N C 1.429 176.940 175.510 0.001 0.000 1.020 492 N CA 1.048 54.096 53.050 -0.003 0.000 0.858 492 N CB -0.313 38.175 38.487 0.002 0.000 0.991 492 N HN 0.373 nan 8.380 nan 0.000 0.427 493 K N 0.362 120.761 120.400 -0.002 0.000 2.365 493 K HA 0.025 4.345 4.320 -0.001 0.000 0.199 493 K C 0.564 177.165 176.600 0.001 0.000 1.045 493 K CA 0.508 56.797 56.287 0.003 0.000 0.962 493 K CB -0.037 32.465 32.500 0.003 0.000 0.759 493 K HN 0.255 nan 8.250 nan 0.000 0.469 494 G N 1.883 110.681 108.800 -0.003 0.000 2.295 494 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.287 494 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.287 494 G C 0.086 174.984 174.900 -0.003 0.000 1.055 494 G CA 0.216 45.314 45.100 -0.003 0.000 0.922 494 G HN 0.154 nan 8.290 nan 0.000 0.503 495 L N -0.581 120.638 121.223 -0.006 0.000 2.568 495 L HA 0.595 4.935 4.340 -0.001 0.000 0.187 495 L C 1.263 178.129 176.870 -0.007 0.000 1.489 495 L CA 0.624 55.461 54.840 -0.005 0.000 3.061 495 L CB -0.179 41.876 42.059 -0.006 0.000 2.895 495 L HN 0.459 nan 8.230 nan 0.000 0.999 496 Q N 0.390 120.185 119.800 -0.010 0.000 2.278 496 Q HA 0.382 4.721 4.340 -0.001 0.000 0.257 496 Q C -1.016 174.975 176.000 -0.014 0.000 0.928 496 Q CA -0.193 55.604 55.803 -0.011 0.000 0.932 496 Q CB 1.297 30.028 28.738 -0.011 0.000 1.221 496 Q HN 0.235 nan 8.270 nan 0.000 0.434 497 E N 2.611 122.803 120.200 -0.013 0.000 2.313 497 E HA 0.153 4.503 4.350 -0.001 0.000 0.276 497 E C -0.931 175.660 176.600 -0.015 0.000 1.031 497 E CA -0.388 56.003 56.400 -0.016 0.000 0.857 497 E CB 0.748 30.440 29.700 -0.013 0.000 1.040 497 E HN 0.574 nan 8.360 nan 0.000 0.408 498 L N 6.189 127.401 121.223 -0.019 0.000 2.397 498 L HA 0.147 4.487 4.340 -0.001 0.000 0.263 498 L C 1.057 177.918 176.870 -0.015 0.000 1.136 498 L CA -0.161 54.669 54.840 -0.017 0.000 1.019 498 L CB 0.117 42.164 42.059 -0.020 0.000 1.352 498 L HN 0.611 nan 8.230 nan 0.000 0.420 499 K N 0.605 120.998 120.400 -0.012 0.000 2.360 499 K HA -0.074 4.246 4.320 -0.001 0.000 0.201 499 K C 0.753 177.347 176.600 -0.009 0.000 1.046 499 K CA 1.217 57.498 56.287 -0.010 0.000 0.940 499 K CB 0.142 32.637 32.500 -0.008 0.000 0.748 499 K HN 0.691 nan 8.250 nan 0.000 0.465 500 T N -2.866 111.683 114.554 -0.009 0.000 2.634 500 T HA 0.159 4.509 4.350 -0.001 0.000 0.247 500 T C -2.494 172.202 174.700 -0.007 0.000 1.061 500 T CA -0.626 61.470 62.100 -0.007 0.000 1.221 500 T CB 0.676 69.540 68.868 -0.007 0.000 1.782 500 T HN -0.225 nan 8.240 nan 0.000 0.437 501 P HA 0.466 nan 4.420 nan 0.000 0.268 501 P C 0.097 177.395 177.300 -0.005 0.000 1.329 501 P CA -0.090 63.007 63.100 -0.005 0.000 0.899 501 P CB -0.517 31.181 31.700 -0.004 0.000 1.378 502 A N 1.283 124.100 122.820 -0.006 0.000 2.540 502 A HA -0.043 4.277 4.320 -0.001 0.000 0.268 502 A C 0.916 178.498 177.584 -0.003 0.000 1.061 502 A CA 0.465 52.498 52.037 -0.005 0.000 0.821 502 A CB -0.316 18.680 19.000 -0.007 0.000 0.970 502 A HN 0.244 nan 8.150 nan 0.000 0.524 503 R N 3.833 124.332 120.500 -0.002 0.000 1.792 503 R HA 0.646 4.986 4.340 -0.001 0.000 0.139 503 R C 1.286 177.587 176.300 0.001 0.000 2.091 503 R CA 0.116 56.217 56.100 0.001 0.000 1.697 503 R CB -0.975 29.326 30.300 0.001 0.000 1.340 503 R HN 1.413 nan 8.270 nan 0.000 0.481 504 A N 2.541 125.362 122.820 0.000 0.000 2.189 504 A HA -0.214 4.105 4.320 -0.001 0.000 0.272 504 A C 1.157 178.742 177.584 0.002 0.000 1.349 504 A CA 0.607 52.644 52.037 0.000 0.000 0.778 504 A CB -1.687 17.311 19.000 -0.003 0.000 1.088 504 A HN 0.541 nan 8.150 nan 0.000 0.351 505 L N -0.295 120.931 121.223 0.006 0.000 2.143 505 L HA -0.416 3.924 4.340 -0.001 0.000 0.231 505 L C 2.745 179.620 176.870 0.009 0.000 1.106 505 L CA 2.553 57.399 54.840 0.010 0.000 0.827 505 L CB -0.973 41.094 42.059 0.013 0.000 0.915 505 L HN 0.786 nan 8.230 nan 0.000 0.448 506 S N -0.331 115.374 115.700 0.008 0.000 2.380 506 S HA -0.248 4.222 4.470 -0.001 0.000 0.229 506 S C 1.731 176.332 174.600 0.001 0.000 1.043 506 S CA 1.697 59.901 58.200 0.007 0.000 1.038 506 S CB -0.467 62.737 63.200 0.006 0.000 0.872 506 S HN 0.287 nan 8.310 nan 0.000 0.456 507 L N 1.161 122.383 121.223 -0.002 0.000 2.353 507 L HA -0.037 4.303 4.340 -0.001 0.000 0.220 507 L C 1.629 178.496 176.870 -0.005 0.000 1.133 507 L CA 1.148 55.984 54.840 -0.006 0.000 0.798 507 L CB -0.406 41.649 42.059 -0.007 0.000 0.922 507 L HN 0.256 nan 8.230 nan 0.000 0.445 508 I N 0.025 120.595 120.570 -0.001 0.000 2.244 508 I HA -0.151 4.019 4.170 -0.001 0.000 0.231 508 I C 1.120 177.238 176.117 0.002 0.000 1.065 508 I CA 0.579 61.880 61.300 0.001 0.000 1.358 508 I CB -1.241 36.763 38.000 0.006 0.000 1.130 508 I HN 0.276 nan 8.210 nan 0.000 0.411 509 K N 2.579 122.985 120.400 0.008 0.000 2.021 509 K HA 0.128 4.448 4.320 -0.001 0.000 0.238 509 K C 0.440 177.041 176.600 0.002 0.000 1.149 509 K CA 0.293 56.587 56.287 0.012 0.000 1.105 509 K CB 0.555 33.069 32.500 0.022 0.000 1.246 509 K HN 0.329 nan 8.250 nan 0.000 0.307 510 R N 0.947 121.441 120.500 -0.009 0.000 3.350 510 R HA 0.077 4.417 4.340 -0.001 0.000 0.148 510 R C -1.060 175.217 176.300 -0.037 0.000 0.732 510 R CA -0.171 55.911 56.100 -0.030 0.000 1.152 510 R CB -0.366 29.915 30.300 -0.032 0.000 1.613 510 R HN 0.347 nan 8.270 nan 0.000 0.529 511 P HA 0.154 nan 4.420 nan 0.000 0.221 511 P C 0.336 177.630 177.300 -0.010 0.000 1.155 511 P CA 1.397 64.485 63.100 -0.020 0.000 0.812 511 P CB 0.448 32.141 31.700 -0.012 0.000 0.801 512 G N -1.136 107.664 108.800 -0.000 0.000 5.005 512 G HA2 0.219 4.179 3.960 -0.001 0.000 0.222 512 G HA3 0.219 4.179 3.960 -0.001 0.000 0.222 512 G C -0.573 174.338 174.900 0.019 0.000 1.437 512 G CA -0.268 44.839 45.100 0.012 0.000 0.894 512 G HN 0.097 nan 8.290 nan 0.000 0.394 513 I N 1.235 121.817 120.570 0.020 0.000 2.509 513 I HA 0.501 4.671 4.170 -0.001 0.000 0.293 513 I C 0.368 176.506 176.117 0.034 0.000 1.020 513 I CA -0.975 60.342 61.300 0.028 0.000 1.088 513 I CB 2.203 40.217 38.000 0.024 0.000 1.267 513 I HN 0.129 nan 8.210 nan 0.000 0.430 514 S N 4.639 120.364 115.700 0.041 0.000 2.580 514 S HA 0.203 4.673 4.470 -0.001 0.000 0.274 514 S C 1.021 175.644 174.600 0.040 0.000 1.329 514 S CA -0.442 57.782 58.200 0.040 0.000 1.036 514 S CB 0.864 64.087 63.200 0.037 0.000 0.919 514 S HN 0.638 nan 8.310 nan 0.000 0.515 515 L N 4.200 125.444 121.223 0.036 0.000 2.079 515 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 515 L C 2.372 179.261 176.870 0.030 0.000 1.081 515 L CA 1.718 56.578 54.840 0.033 0.000 0.752 515 L CB -0.339 41.739 42.059 0.030 0.000 0.896 515 L HN 0.840 nan 8.230 nan 0.000 0.433 516 Q N -0.603 119.212 119.800 0.025 0.000 2.369 516 Q HA -0.165 4.175 4.340 -0.001 0.000 0.206 516 Q C 1.352 177.363 176.000 0.018 0.000 0.963 516 Q CA 1.055 56.867 55.803 0.015 0.000 0.894 516 Q CB 0.093 28.835 28.738 0.007 0.000 0.965 516 Q HN 0.594 nan 8.270 nan 0.000 0.475 517 D N 0.083 120.511 120.400 0.046 0.000 2.269 517 D HA -0.071 4.568 4.640 -0.001 0.000 0.208 517 D C 1.510 177.897 176.300 0.145 0.000 0.963 517 D CA 0.841 54.899 54.000 0.097 0.000 0.864 517 D CB 0.213 41.081 40.800 0.113 0.000 0.936 517 D HN 0.303 nan 8.370 nan 0.000 0.505 518 I N -0.122 120.502 120.570 0.089 0.000 2.364 518 I HA -0.164 4.006 4.170 -0.001 0.000 0.241 518 I C 1.978 178.133 176.117 0.063 0.000 1.082 518 I CA 0.225 61.578 61.300 0.090 0.000 1.401 518 I CB -0.012 38.022 38.000 0.057 0.000 1.126 518 I HN -0.122 nan 8.210 nan 0.000 0.429 519 L N 0.843 122.085 121.223 0.031 0.000 2.137 519 L HA -0.282 4.057 4.340 -0.001 0.000 0.213 519 L C 2.430 179.292 176.870 -0.012 0.000 1.085 519 L CA 1.835 56.682 54.840 0.011 0.000 0.760 519 L CB -0.703 41.358 42.059 0.005 0.000 0.893 519 L HN 0.310 nan 8.230 nan 0.000 0.434 520 E N -1.916 118.256 120.200 -0.047 0.000 2.216 520 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 520 E C 1.730 178.206 176.600 -0.208 0.000 0.988 520 E CA 0.578 56.890 56.400 -0.147 0.000 0.834 520 E CB 0.140 29.704 29.700 -0.228 0.000 0.772 520 E HN 0.597 nan 8.360 nan 0.000 0.479 521 H N -0.745 118.328 119.070 0.005 0.000 2.639 521 H HA 0.150 4.706 4.556 -0.001 0.000 0.267 521 H C 0.380 175.711 175.328 0.004 0.000 0.958 521 H CA 0.764 56.815 56.048 0.004 0.000 1.221 521 H CB 0.865 30.630 29.762 0.004 0.000 1.446 521 H HN 0.047 nan 8.280 nan 0.000 0.512 522 S N 0.196 115.960 115.700 0.105 0.000 2.502 522 S HA 0.239 4.709 4.470 -0.001 0.000 0.304 522 S C 0.919 175.540 174.600 0.036 0.000 1.097 522 S CA -0.759 57.479 58.200 0.063 0.000 1.045 522 S CB 2.001 65.233 63.200 0.053 0.000 1.019 522 S HN 0.183 nan 8.310 nan 0.000 0.481 523 L N 2.903 124.143 121.223 0.028 0.000 2.217 523 L HA -0.030 4.310 4.340 -0.001 0.000 0.211 523 L C 2.732 179.611 176.870 0.016 0.000 1.107 523 L CA 1.391 56.242 54.840 0.017 0.000 0.783 523 L CB -0.490 41.578 42.059 0.015 0.000 0.919 523 L HN 0.987 nan 8.230 nan 0.000 0.442 524 S N -0.660 115.051 115.700 0.018 0.000 2.365 524 S HA -0.186 4.284 4.470 -0.001 0.000 0.225 524 S C 1.827 176.436 174.600 0.015 0.000 1.039 524 S CA 1.910 60.120 58.200 0.015 0.000 1.033 524 S CB -0.181 63.029 63.200 0.016 0.000 0.887 524 S HN 0.283 nan 8.310 nan 0.000 0.447 525 V N 3.539 123.464 119.914 0.018 0.000 2.302 525 V HA -0.107 4.012 4.120 -0.001 0.000 0.243 525 V C 2.629 178.732 176.094 0.016 0.000 1.036 525 V CA 1.973 64.283 62.300 0.018 0.000 1.020 525 V CB -0.899 30.937 31.823 0.022 0.000 0.657 525 V HN 0.595 nan 8.190 nan 0.000 0.453 526 R N 0.825 121.333 120.500 0.013 0.000 2.127 526 R HA -0.129 4.210 4.340 -0.001 0.000 0.238 526 R C 2.239 178.545 176.300 0.009 0.000 1.134 526 R CA 1.734 57.839 56.100 0.009 0.000 0.975 526 R CB -0.945 29.358 30.300 0.004 0.000 0.865 526 R HN 0.431 nan 8.270 nan 0.000 0.447 527 S N 1.201 116.907 115.700 0.010 0.000 2.382 527 S HA -0.050 4.420 4.470 -0.001 0.000 0.228 527 S C 2.099 176.705 174.600 0.011 0.000 1.027 527 S CA 1.200 59.406 58.200 0.009 0.000 0.991 527 S CB -0.049 63.157 63.200 0.009 0.000 0.823 527 S HN 0.583 nan 8.310 nan 0.000 0.469 528 A N 0.178 123.006 122.820 0.013 0.000 2.081 528 A HA 0.667 4.987 4.320 -0.001 0.000 0.214 528 A C 0.865 178.462 177.584 0.020 0.000 1.158 528 A CA 0.713 52.759 52.037 0.016 0.000 0.724 528 A CB 0.056 19.065 19.000 0.015 0.000 0.826 528 A HN 0.522 nan 8.150 nan 0.000 0.463 529 A N -0.530 122.301 122.820 0.019 0.000 2.626 529 A HA 0.545 4.864 4.320 -0.001 0.000 0.293 529 A C -0.301 177.293 177.584 0.015 0.000 1.111 529 A CA -0.069 51.981 52.037 0.021 0.000 0.874 529 A CB 0.317 19.333 19.000 0.026 0.000 1.451 529 A HN 0.197 nan 8.150 nan 0.000 0.396 530 E N 1.896 122.103 120.200 0.011 0.000 2.583 530 E HA 0.003 4.353 4.350 -0.001 0.000 0.213 530 E C 1.290 177.894 176.600 0.005 0.000 0.989 530 E CA 0.624 57.028 56.400 0.007 0.000 0.991 530 E CB 0.382 30.084 29.700 0.004 0.000 1.040 530 E HN 0.889 nan 8.360 nan 0.000 0.481 531 E N 1.025 121.230 120.200 0.007 0.000 2.107 531 E HA -0.188 4.161 4.350 -0.001 0.000 0.191 531 E C 2.089 178.691 176.600 0.005 0.000 0.982 531 E CA 0.973 57.375 56.400 0.004 0.000 0.809 531 E CB -0.496 29.206 29.700 0.003 0.000 0.756 531 E HN 0.371 nan 8.360 nan 0.000 0.459 532 L N -0.029 121.200 121.223 0.010 0.000 2.141 532 L HA -0.036 4.304 4.340 -0.001 0.000 0.209 532 L C 2.821 179.696 176.870 0.007 0.000 1.094 532 L CA 1.164 56.011 54.840 0.011 0.000 0.763 532 L CB -1.204 40.865 42.059 0.016 0.000 0.908 532 L HN 0.207 nan 8.230 nan 0.000 0.437 533 C N 2.113 121.416 119.300 0.005 0.000 2.388 533 C HA -0.184 4.276 4.460 -0.001 0.000 0.277 533 C C 2.825 177.815 174.990 0.000 0.000 1.210 533 C CA 1.905 60.923 59.018 0.001 0.000 1.743 533 C CB -1.101 26.639 27.740 -0.001 0.000 2.047 533 C HN 0.723 nan 8.230 nan 0.000 0.458 534 N N 0.824 119.524 118.700 -0.000 0.000 2.205 534 N HA -0.042 4.698 4.740 -0.001 0.000 0.186 534 N C 0.308 175.818 175.510 0.000 0.000 1.015 534 N CA 1.215 54.264 53.050 -0.001 0.000 0.862 534 N CB -0.480 38.006 38.487 -0.003 0.000 0.986 534 N HN 0.638 nan 8.380 nan 0.000 0.429 535 D N -0.036 120.365 120.400 0.002 0.000 2.349 535 D HA 0.176 4.816 4.640 -0.001 0.000 0.232 535 D C -1.828 174.476 176.300 0.007 0.000 1.071 535 D CA -2.072 51.931 54.000 0.005 0.000 0.832 535 D CB 2.073 42.875 40.800 0.004 0.000 1.086 535 D HN 0.023 nan 8.370 nan 0.000 0.504 536 P HA 0.043 nan 4.420 nan 0.000 0.236 536 P C 1.208 178.515 177.300 0.012 0.000 1.177 536 P CA 0.243 63.347 63.100 0.007 0.000 0.773 536 P CB 0.889 32.591 31.700 0.004 0.000 0.878 537 R N -0.166 120.345 120.500 0.018 0.000 2.062 537 R HA -0.001 4.338 4.340 -0.001 0.000 0.226 537 R C 2.280 178.590 176.300 0.018 0.000 1.125 537 R CA 0.954 57.069 56.100 0.025 0.000 0.966 537 R CB -1.019 29.305 30.300 0.039 0.000 0.861 537 R HN 0.029 nan 8.270 nan 0.000 0.433 538 V N 1.433 121.356 119.914 0.015 0.000 2.252 538 V HA -0.311 3.808 4.120 -0.001 0.000 0.249 538 V C 2.536 178.640 176.094 0.017 0.000 1.056 538 V CA 2.116 64.425 62.300 0.014 0.000 1.022 538 V CB -0.886 30.945 31.823 0.013 0.000 0.641 538 V HN 0.429 nan 8.190 nan 0.000 0.445 539 A N -0.611 122.218 122.820 0.015 0.000 1.927 539 A HA -0.353 3.966 4.320 -0.001 0.000 0.220 539 A C 2.327 179.921 177.584 0.017 0.000 1.185 539 A CA 2.434 54.481 52.037 0.016 0.000 0.639 539 A CB -0.622 18.386 19.000 0.012 0.000 0.820 539 A HN 0.682 nan 8.150 nan 0.000 0.451 540 E N -1.088 119.119 120.200 0.011 0.000 2.072 540 E HA -0.215 4.135 4.350 -0.001 0.000 0.191 540 E C 2.167 178.770 176.600 0.006 0.000 0.985 540 E CA 1.125 57.527 56.400 0.003 0.000 0.801 540 E CB -0.139 29.555 29.700 -0.009 0.000 0.750 540 E HN 0.648 nan 8.360 nan 0.000 0.452 541 Q N 0.245 120.050 119.800 0.008 0.000 2.020 541 Q HA -0.097 4.242 4.340 -0.001 0.000 0.198 541 Q C 2.470 178.488 176.000 0.029 0.000 0.974 541 Q CA 1.097 56.907 55.803 0.011 0.000 0.829 541 Q CB -0.305 28.439 28.738 0.009 0.000 0.894 541 Q HN 0.238 nan 8.270 nan 0.000 0.433 542 V N 1.501 121.435 119.914 0.032 0.000 2.252 542 V HA -0.313 3.807 4.120 -0.001 0.000 0.249 542 V C 2.500 178.626 176.094 0.053 0.000 1.056 542 V CA 2.241 64.566 62.300 0.040 0.000 1.022 542 V CB -0.680 31.164 31.823 0.035 0.000 0.641 542 V HN 0.460 nan 8.190 nan 0.000 0.445 543 Q N -0.861 118.970 119.800 0.051 0.000 2.234 543 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 543 Q C 2.096 178.163 176.000 0.110 0.000 0.980 543 Q CA 1.865 57.708 55.803 0.066 0.000 0.869 543 Q CB -0.091 28.680 28.738 0.055 0.000 0.912 543 Q HN 0.692 nan 8.270 nan 0.000 0.436 544 I N -0.093 120.550 120.570 0.122 0.000 2.494 544 I HA -0.152 4.018 4.170 -0.001 0.000 0.250 544 I C 2.095 178.348 176.117 0.227 0.000 1.112 544 I CA 0.383 61.813 61.300 0.217 0.000 1.438 544 I CB -0.148 37.906 38.000 0.090 0.000 1.111 544 I HN 0.066 nan 8.210 nan 0.000 0.431 545 E N 1.128 121.404 120.200 0.126 0.000 2.187 545 E HA -0.243 4.106 4.350 -0.001 0.000 0.199 545 E C 2.099 178.765 176.600 0.111 0.000 1.004 545 E CA 1.835 58.300 56.400 0.108 0.000 0.813 545 E CB -0.173 29.567 29.700 0.066 0.000 0.736 545 E HN 0.699 nan 8.360 nan 0.000 0.468 546 I N -2.989 117.641 120.570 0.099 0.000 3.339 546 I HA 0.062 4.231 4.170 -0.001 0.000 0.285 546 I C 1.944 178.092 176.117 0.052 0.000 1.201 546 I CA 0.336 61.675 61.300 0.065 0.000 1.434 546 I CB 0.032 38.057 38.000 0.042 0.000 1.152 546 I HN -0.236 nan 8.210 nan 0.000 0.443 547 K N 0.227 120.669 120.400 0.070 0.000 2.439 547 K HA 0.025 4.345 4.320 -0.001 0.000 0.197 547 K C 0.056 176.508 176.600 -0.246 0.000 1.041 547 K CA 1.043 57.296 56.287 -0.057 0.000 0.970 547 K CB 0.052 32.534 32.500 -0.030 0.000 0.773 547 K HN 0.420 nan 8.250 nan 0.000 0.479 548 Y N -0.584 119.777 120.300 0.103 0.000 2.698 548 Y HA 0.076 4.626 4.550 -0.000 0.000 0.261 548 Y C 1.231 177.209 175.900 0.130 0.000 1.104 548 Y CA -0.498 57.702 58.100 0.167 0.000 1.145 548 Y CB 0.623 39.164 38.460 0.136 0.000 1.191 548 Y HN -0.030 nan 8.280 nan 0.000 0.564 549 E N 0.960 121.246 120.200 0.143 0.000 2.038 549 E HA -0.148 4.202 4.350 -0.001 0.000 0.195 549 E C 2.421 179.044 176.600 0.039 0.000 1.000 549 E CA 2.087 58.534 56.400 0.077 0.000 0.803 549 E CB -0.431 29.285 29.700 0.027 0.000 0.750 549 E HN 0.510 nan 8.360 nan 0.000 0.448 550 G N -0.869 107.905 108.800 -0.043 0.000 2.459 550 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 550 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 550 G C 1.351 176.151 174.900 -0.167 0.000 1.183 550 G CA 1.264 46.250 45.100 -0.189 0.000 0.776 550 G HN 0.402 nan 8.290 nan 0.000 0.552 551 Y N 0.311 120.654 120.300 0.072 0.000 2.314 551 Y HA 0.142 4.692 4.550 -0.000 0.000 0.293 551 Y C 2.690 178.630 175.900 0.067 0.000 1.129 551 Y CA 0.345 58.495 58.100 0.083 0.000 1.201 551 Y CB -0.114 38.436 38.460 0.151 0.000 0.999 551 Y HN 0.124 nan 8.280 nan 0.000 0.541 552 I N -0.109 120.593 120.570 0.219 0.000 2.202 552 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 552 I C 2.383 178.545 176.117 0.074 0.000 1.091 552 I CA 1.363 62.741 61.300 0.131 0.000 1.368 552 I CB -0.210 37.863 38.000 0.121 0.000 1.058 552 I HN 0.041 nan 8.210 nan 0.000 0.410 553 K N 1.048 121.479 120.400 0.051 0.000 2.057 553 K HA -0.189 4.130 4.320 -0.001 0.000 0.207 553 K C 2.238 178.846 176.600 0.013 0.000 1.049 553 K CA 1.364 57.665 56.287 0.022 0.000 0.931 553 K CB -0.163 32.339 32.500 0.004 0.000 0.714 553 K HN 0.044 nan 8.250 nan 0.000 0.440 554 R N 0.528 121.036 120.500 0.012 0.000 2.073 554 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 554 R C 1.909 178.210 176.300 0.002 0.000 1.134 554 R CA 1.927 58.030 56.100 0.005 0.000 0.952 554 R CB -0.083 30.223 30.300 0.009 0.000 0.850 554 R HN 0.290 nan 8.270 nan 0.000 0.433 555 E N -0.141 120.068 120.200 0.015 0.000 2.110 555 E HA -0.254 4.096 4.350 -0.001 0.000 0.193 555 E C 2.035 178.601 176.600 -0.057 0.000 0.988 555 E CA 1.179 57.551 56.400 -0.045 0.000 0.804 555 E CB 0.020 29.707 29.700 -0.021 0.000 0.745 555 E HN 0.416 nan 8.360 nan 0.000 0.458 556 Q N 0.280 120.080 119.800 -0.001 0.000 2.230 556 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 556 Q C 2.055 178.067 176.000 0.019 0.000 0.963 556 Q CA 0.539 56.355 55.803 0.022 0.000 0.866 556 Q CB 0.144 28.902 28.738 0.033 0.000 0.931 556 Q HN 0.138 nan 8.270 nan 0.000 0.452 557 L N -0.799 120.427 121.223 0.005 0.000 2.056 557 L HA -0.144 4.196 4.340 -0.001 0.000 0.207 557 L C 2.024 178.898 176.870 0.006 0.000 1.078 557 L CA 1.188 56.031 54.840 0.006 0.000 0.749 557 L CB -0.266 41.793 42.059 -0.001 0.000 0.901 557 L HN 0.090 nan 8.230 nan 0.000 0.433 558 V N -0.757 119.147 119.914 -0.017 0.000 2.379 558 V HA -0.208 3.911 4.120 -0.001 0.000 0.245 558 V C 2.663 178.780 176.094 0.039 0.000 1.044 558 V CA 1.356 63.644 62.300 -0.019 0.000 1.036 558 V CB -1.347 30.426 31.823 -0.083 0.000 0.664 558 V HN 0.494 nan 8.190 nan 0.000 0.453 559 A N -0.369 122.486 122.820 0.057 0.000 1.978 559 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 559 A C 1.170 178.841 177.584 0.144 0.000 1.170 559 A CA 1.477 53.672 52.037 0.264 0.000 0.636 559 A CB -0.499 18.659 19.000 0.262 0.000 0.810 559 A HN 0.552 nan 8.150 nan 0.000 0.448 560 D N 0.000 120.448 120.400 0.080 0.000 6.856 560 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 560 D CA 0.000 54.032 54.000 0.054 0.000 0.868 560 D CB 0.000 40.822 40.800 0.037 0.000 0.688 560 D HN 0.000 nan 8.370 nan 0.000 0.683