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 2yr6_1_A DATA FIRST_RESID 16 DATA SEQUENCE KIATTVGEAR LSGINYRHPD SALVSYPVAA AAPLGRLPAG NYRIAIVGGG DATA SEQUENCE AGGIAALYEL GRLAATLPAG SGIDVQIYEA DPDSFLHDRX XXXAIKVRGL DATA SEQUENCE KAGRVSAALV HNGDPASGDT IYEVGAMRFP EIAGLTWHYA SAAFGDAAPI DATA SEQUENCE KVFPNPGKVP TEFVFGNRVD RYVGSDPKDW EDPDSPTLKV LGVVAGGLVG DATA SEQUENCE NPQGENVAMY PIANVDPAKI AAILNAATPP ADALERIQTK YWPEFIAQYD DATA SEQUENCE GLTLGAAVRE IVTVAFEKGT LPPVDGVLDV DESISYYVEL FGRFGFGTGG DATA SEQUENCE FKPLYNISLV EMMRLILWDY SNEYTLPVTE NVEFIRNLFL KAQNVGAGKL DATA SEQUENCE VVQVRQERVA NACHSGTASA RAQLLSYDSH NAVHSEAYDF VILAVPHDQL DATA SEQUENCE TPIVSRSGFE HAASQNLGDA GLGLETHTYN QVYPPLLLSD SSPAANARIV DATA SEQUENCE TAIGQLHMAR SSKVFATVKT AALDQPWVPQ WRGEPIKAVV SDSGLAASYV DATA SEQUENCE VPSPIVXXXX APEYSSLLAS YTWEDDSTRL RHDFGLYPQN PATETGTADG DATA SEQUENCE MYRTMVNRAY RYVKYAGASN AQPWWFYQLL AEARTADRFV FDWTTNKTAG DATA SEQUENCE GFKLDMTGDH HQSNLCFRYH THALAASLDN RFFIASDSYS HLGGWLEGAF DATA SEQUENCE MSALNAVAGL IVRANRGDVS ALSTEARPLV IGLRPVVKVP AA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 K HA 0.000 nan 4.320 nan 0.000 0.191 16 K C 0.000 176.617 176.600 0.029 0.000 0.988 16 K CA 0.000 56.296 56.287 0.014 0.000 0.838 16 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 17 I N 2.951 123.548 120.570 0.044 0.000 2.395 17 I HA 0.468 4.638 4.170 0.000 0.000 0.289 17 I C 0.398 176.540 176.117 0.042 0.000 1.023 17 I CA -0.614 60.747 61.300 0.103 0.000 1.350 17 I CB 1.612 39.674 38.000 0.102 0.000 1.409 17 I HN 0.731 nan 8.210 nan 0.000 0.507 18 A N 3.858 126.672 122.820 -0.010 0.000 2.425 18 A HA 0.388 4.708 4.320 0.000 0.000 0.249 18 A C 0.882 178.349 177.584 -0.196 0.000 1.084 18 A CA 0.117 51.998 52.037 -0.260 0.000 0.781 18 A CB 0.161 18.752 19.000 -0.681 0.000 1.019 18 A HN 0.867 nan 8.150 nan 0.000 0.490 19 T N -1.979 112.464 114.554 -0.185 0.000 2.975 19 T HA 0.318 4.668 4.350 0.000 0.000 0.261 19 T C 0.522 175.136 174.700 -0.144 0.000 0.984 19 T CA 0.770 62.804 62.100 -0.111 0.000 0.911 19 T CB -0.406 68.428 68.868 -0.058 0.000 1.127 19 T HN 1.225 nan 8.240 nan 0.000 0.514 20 T N -1.533 112.890 114.554 -0.218 0.000 2.883 20 T HA 0.615 4.965 4.350 0.000 0.000 0.296 20 T C 1.064 175.585 174.700 -0.298 0.000 1.117 20 T CA -0.392 61.593 62.100 -0.192 0.000 1.006 20 T CB 1.681 70.474 68.868 -0.125 0.000 1.191 20 T HN -0.207 nan 8.240 nan 0.000 0.508 21 V N 1.699 121.495 119.914 -0.197 0.000 2.324 21 V HA -0.056 4.064 4.120 0.000 0.000 0.250 21 V C 2.820 178.807 176.094 -0.178 0.000 1.060 21 V CA 2.745 64.950 62.300 -0.158 0.000 1.042 21 V CB -1.290 30.577 31.823 0.073 0.000 0.650 21 V HN 1.108 nan 8.190 nan 0.000 0.450 22 G N -1.066 107.662 108.800 -0.119 0.000 2.408 22 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 22 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 22 G C 1.448 176.258 174.900 -0.150 0.000 1.150 22 G CA 0.724 45.770 45.100 -0.090 0.000 0.776 22 G HN 0.572 nan 8.290 nan 0.000 0.542 23 E N 0.563 120.634 120.200 -0.214 0.000 2.051 23 E HA -0.057 4.293 4.350 0.000 0.000 0.192 23 E C 2.966 179.359 176.600 -0.344 0.000 0.991 23 E CA 0.800 57.057 56.400 -0.237 0.000 0.799 23 E CB -0.197 29.364 29.700 -0.231 0.000 0.748 23 E HN 0.387 nan 8.360 nan 0.000 0.449 24 A N 1.707 124.168 122.820 -0.598 0.000 1.883 24 A HA -0.255 4.065 4.320 0.000 0.000 0.217 24 A C 2.122 179.410 177.584 -0.492 0.000 1.186 24 A CA 1.765 53.278 52.037 -0.874 0.000 0.624 24 A CB -0.582 17.265 19.000 -1.921 0.000 0.822 24 A HN 0.109 nan 8.150 nan 0.000 0.444 25 R N -0.360 119.976 120.500 -0.272 0.000 2.094 25 R HA -0.137 4.203 4.340 0.000 0.000 0.239 25 R C 1.982 178.301 176.300 0.031 0.000 1.137 25 R CA 1.925 58.051 56.100 0.043 0.000 0.943 25 R CB -0.451 29.911 30.300 0.105 0.000 0.850 25 R HN 0.540 nan 8.270 nan 0.000 0.433 26 L N 0.087 121.291 121.223 -0.032 0.000 2.201 26 L HA -0.115 4.225 4.340 0.000 0.000 0.212 26 L C 2.619 179.483 176.870 -0.010 0.000 1.105 26 L CA 1.000 55.834 54.840 -0.010 0.000 0.775 26 L CB -0.371 41.672 42.059 -0.026 0.000 0.913 26 L HN 0.298 nan 8.230 nan 0.000 0.440 27 S N 0.015 115.681 115.700 -0.056 0.000 2.382 27 S HA -0.111 4.359 4.470 0.000 0.000 0.228 27 S C 1.651 176.265 174.600 0.022 0.000 1.027 27 S CA 1.514 59.688 58.200 -0.043 0.000 0.991 27 S CB -0.132 63.002 63.200 -0.109 0.000 0.823 27 S HN 0.526 nan 8.310 nan 0.000 0.469 28 G N 0.020 108.864 108.800 0.073 0.000 3.453 28 G HA2 0.259 4.219 3.960 0.000 0.000 0.263 28 G HA3 0.259 4.219 3.960 0.000 0.000 0.263 28 G C 0.972 175.997 174.900 0.208 0.000 1.060 28 G CA -0.214 44.984 45.100 0.163 0.000 0.793 28 G HN 0.511 nan 8.290 nan 0.000 0.532 29 I N 0.085 120.743 120.570 0.147 0.000 2.335 29 I HA -0.166 4.004 4.170 0.000 0.000 0.251 29 I C 1.896 178.089 176.117 0.127 0.000 1.129 29 I CA 1.201 62.581 61.300 0.133 0.000 1.402 29 I CB 0.213 38.267 38.000 0.090 0.000 1.069 29 I HN 0.181 nan 8.210 nan 0.000 0.424 30 N N -1.384 117.391 118.700 0.124 0.000 2.299 30 N HA -0.048 4.692 4.740 0.000 0.000 0.187 30 N C -0.083 175.493 175.510 0.110 0.000 1.099 30 N CA -0.245 52.862 53.050 0.096 0.000 0.867 30 N CB 0.132 38.655 38.487 0.060 0.000 0.974 30 N HN 0.249 nan 8.380 nan 0.000 0.477 31 Y N 2.580 122.918 120.300 0.063 0.000 2.632 31 Y HA 0.053 4.603 4.550 0.000 0.000 0.329 31 Y C -0.159 175.745 175.900 0.006 0.000 1.174 31 Y CA -0.196 57.917 58.100 0.022 0.000 1.469 31 Y CB 0.266 38.757 38.460 0.053 0.000 1.242 31 Y HN -0.101 nan 8.280 nan 0.000 0.540 32 R N 5.121 125.224 120.500 -0.661 0.000 2.445 32 R HA 0.327 4.667 4.340 0.000 0.000 0.308 32 R C -0.829 174.973 176.300 -0.830 0.000 0.961 32 R CA -0.806 55.031 56.100 -0.438 0.000 0.862 32 R CB 1.037 31.200 30.300 -0.229 0.000 1.144 32 R HN 0.684 nan 8.270 nan 0.000 0.447 33 H N 3.441 122.298 119.070 -0.355 0.000 2.551 33 H HA 0.075 4.631 4.556 0.000 0.000 0.358 33 H C -1.437 173.646 175.328 -0.408 0.000 1.151 33 H CA -1.786 54.045 56.048 -0.362 0.000 1.374 33 H CB 1.404 30.989 29.762 -0.296 0.000 1.473 33 H HN 0.439 nan 8.280 nan 0.000 0.574 34 P HA -0.089 nan 4.420 nan 0.000 0.223 34 P C 0.462 177.444 177.300 -0.530 0.000 1.151 34 P CA 1.062 63.666 63.100 -0.826 0.000 0.787 34 P CB 0.423 31.014 31.700 -1.848 0.000 0.788 35 D N -0.140 120.092 120.400 -0.279 0.000 2.349 35 D HA 0.015 4.655 4.640 0.000 0.000 0.215 35 D C 0.562 177.026 176.300 0.272 0.000 1.016 35 D CA 0.799 54.843 54.000 0.073 0.000 0.870 35 D CB 0.217 40.989 40.800 -0.047 0.000 0.917 35 D HN 0.295 nan 8.370 nan 0.000 0.524 36 S N -0.631 115.193 115.700 0.207 0.000 2.694 36 S HA 0.482 4.952 4.470 0.000 0.000 0.232 36 S C 0.913 175.618 174.600 0.175 0.000 1.017 36 S CA -0.590 57.811 58.200 0.336 0.000 1.139 36 S CB 0.922 64.492 63.200 0.617 0.000 1.247 36 S HN 0.086 nan 8.310 nan 0.000 0.452 37 A N 1.096 123.952 122.820 0.061 0.000 2.168 37 A HA 0.334 4.654 4.320 0.000 0.000 0.215 37 A C 1.604 179.189 177.584 0.002 0.000 1.152 37 A CA 0.592 52.610 52.037 -0.032 0.000 0.716 37 A CB -0.512 18.445 19.000 -0.073 0.000 0.794 37 A HN 0.652 nan 8.150 nan 0.000 0.465 38 L N -0.764 120.488 121.223 0.047 0.000 2.591 38 L HA 0.179 4.519 4.340 0.000 0.000 0.228 38 L C 0.185 177.071 176.870 0.027 0.000 1.133 38 L CA 0.092 54.951 54.840 0.031 0.000 0.880 38 L CB 0.359 42.441 42.059 0.037 0.000 1.033 38 L HN 0.210 nan 8.230 nan 0.000 0.450 39 V N -1.122 118.826 119.914 0.056 0.000 2.733 39 V HA 0.318 4.438 4.120 0.000 0.000 0.306 39 V C -0.559 175.602 176.094 0.112 0.000 1.084 39 V CA -0.549 61.776 62.300 0.041 0.000 0.905 39 V CB 2.404 34.205 31.823 -0.037 0.000 1.010 39 V HN 0.013 nan 8.190 nan 0.000 0.424 40 S N 5.687 121.430 115.700 0.072 0.000 2.416 40 S HA 0.313 4.783 4.470 0.000 0.000 0.287 40 S C 0.602 175.292 174.600 0.150 0.000 1.139 40 S CA -0.203 58.074 58.200 0.128 0.000 1.058 40 S CB 0.243 63.487 63.200 0.072 0.000 0.967 40 S HN 0.692 nan 8.310 nan 0.000 0.495 41 Y N 5.257 125.590 120.300 0.054 0.000 2.165 41 Y HA 0.011 4.561 4.550 0.000 0.000 0.286 41 Y C -0.696 175.151 175.900 -0.089 0.000 1.155 41 Y CA 1.232 59.343 58.100 0.018 0.000 1.164 41 Y CB -1.740 36.765 38.460 0.075 0.000 0.978 41 Y HN 0.577 nan 8.280 nan 0.000 0.513 42 P HA -0.149 nan 4.420 nan 0.000 0.218 42 P C 1.852 179.030 177.300 -0.203 0.000 1.148 42 P CA 1.536 64.532 63.100 -0.175 0.000 0.822 42 P CB 0.020 31.716 31.700 -0.006 0.000 0.784 43 V N 0.184 120.052 119.914 -0.076 0.000 2.379 43 V HA -0.197 3.923 4.120 0.000 0.000 0.245 43 V C 2.488 178.521 176.094 -0.101 0.000 1.044 43 V CA 2.082 64.342 62.300 -0.067 0.000 1.036 43 V CB -1.745 30.062 31.823 -0.026 0.000 0.664 43 V HN 0.087 nan 8.190 nan 0.000 0.453 44 A N 0.105 122.851 122.820 -0.125 0.000 1.978 44 A HA -0.111 4.209 4.320 0.000 0.000 0.220 44 A C 2.214 179.708 177.584 -0.150 0.000 1.170 44 A CA 2.045 53.990 52.037 -0.154 0.000 0.636 44 A CB -0.571 18.285 19.000 -0.239 0.000 0.810 44 A HN 0.605 nan 8.150 nan 0.000 0.448 45 A N -0.999 121.693 122.820 -0.212 0.000 2.251 45 A HA 0.519 4.839 4.320 0.000 0.000 0.209 45 A C 2.129 179.619 177.584 -0.155 0.000 1.187 45 A CA 1.124 53.023 52.037 -0.230 0.000 0.823 45 A CB -0.564 18.131 19.000 -0.508 0.000 0.846 45 A HN 0.826 nan 8.150 nan 0.000 0.486 46 A N 0.134 122.889 122.820 -0.109 0.000 1.898 46 A HA 0.435 4.755 4.320 0.000 0.000 0.216 46 A C 1.504 179.130 177.584 0.071 0.000 1.181 46 A CA 1.346 53.407 52.037 0.040 0.000 0.620 46 A CB -0.558 18.448 19.000 0.009 0.000 0.819 46 A HN 0.973 nan 8.150 nan 0.000 0.442 47 A N -0.733 122.098 122.820 0.018 0.000 2.281 47 A HA 0.663 4.983 4.320 0.000 0.000 0.329 47 A C -2.672 174.910 177.584 -0.004 0.000 1.122 47 A CA -1.948 50.094 52.037 0.009 0.000 0.850 47 A CB 0.003 18.997 19.000 -0.010 0.000 1.207 47 A HN 0.165 nan 8.150 nan 0.000 0.495 48 P HA 0.070 nan 4.420 nan 0.000 0.266 48 P C 0.533 177.799 177.300 -0.056 0.000 1.193 48 P CA 0.086 63.158 63.100 -0.047 0.000 0.770 48 P CB 0.326 31.988 31.700 -0.065 0.000 0.836 49 L N 0.445 121.626 121.223 -0.070 0.000 2.291 49 L HA 0.105 4.445 4.340 0.000 0.000 0.214 49 L C 1.418 178.231 176.870 -0.095 0.000 1.120 49 L CA 1.390 56.179 54.840 -0.085 0.000 0.799 49 L CB -0.613 41.387 42.059 -0.098 0.000 0.925 49 L HN 0.658 nan 8.230 nan 0.000 0.446 50 G N -1.472 107.270 108.800 -0.097 0.000 2.393 50 G HA2 0.331 4.291 3.960 0.000 0.000 0.264 50 G HA3 0.331 4.291 3.960 0.000 0.000 0.264 50 G C -1.544 173.301 174.900 -0.092 0.000 1.221 50 G CA -0.751 44.294 45.100 -0.092 0.000 0.912 50 G HN -0.210 nan 8.290 nan 0.000 0.483 51 R N -0.506 119.940 120.500 -0.089 0.000 2.744 51 R HA 0.678 5.018 4.340 0.000 0.000 0.279 51 R C -1.070 175.178 176.300 -0.087 0.000 0.977 51 R CA -0.679 55.375 56.100 -0.077 0.000 0.906 51 R CB 1.621 31.894 30.300 -0.046 0.000 1.197 51 R HN 0.471 nan 8.270 nan 0.000 0.463 52 L N 2.757 123.929 121.223 -0.084 0.000 2.334 52 L HA 0.528 4.868 4.340 0.000 0.000 0.273 52 L C -1.915 174.989 176.870 0.057 0.000 1.013 52 L CA -2.092 52.709 54.840 -0.065 0.000 0.816 52 L CB 1.612 43.535 42.059 -0.225 0.000 1.278 52 L HN 0.258 nan 8.230 nan 0.000 0.431 53 P HA 0.080 nan 4.420 nan 0.000 0.268 53 P C -0.596 176.836 177.300 0.220 0.000 1.208 53 P CA -0.367 62.825 63.100 0.154 0.000 0.777 53 P CB 0.465 32.261 31.700 0.160 0.000 0.875 54 A N 1.458 124.355 122.820 0.128 0.000 2.520 54 A HA 0.503 4.823 4.320 0.000 0.000 0.235 54 A C 0.766 178.396 177.584 0.075 0.000 1.065 54 A CA 1.128 53.232 52.037 0.111 0.000 0.764 54 A CB -0.856 18.175 19.000 0.053 0.000 1.002 54 A HN 0.790 nan 8.150 nan 0.000 0.502 55 G N 0.773 109.599 108.800 0.043 0.000 2.321 55 G HA2 0.338 4.298 3.960 0.000 0.000 0.298 55 G HA3 0.338 4.298 3.960 0.000 0.000 0.298 55 G C -1.516 173.303 174.900 -0.135 0.000 1.385 55 G CA -0.929 44.059 45.100 -0.187 0.000 0.856 55 G HN 0.694 nan 8.290 nan 0.000 0.584 56 N N 0.620 119.187 118.700 -0.220 0.000 2.626 56 N HA 0.361 5.101 4.740 0.000 0.000 0.242 56 N C -1.193 174.251 175.510 -0.109 0.000 1.005 56 N CA -0.142 52.869 53.050 -0.065 0.000 0.905 56 N CB 1.183 39.650 38.487 -0.033 0.000 1.128 56 N HN 0.393 nan 8.380 nan 0.000 0.512 57 Y N 0.834 121.176 120.300 0.071 0.000 2.309 57 Y HA 0.293 4.843 4.550 0.000 0.000 0.327 57 Y C 1.027 176.991 175.900 0.107 0.000 1.172 57 Y CA -0.363 57.801 58.100 0.107 0.000 1.280 57 Y CB 1.238 39.795 38.460 0.162 0.000 1.234 57 Y HN 0.032 nan 8.280 nan 0.000 0.512 58 R N 4.133 124.781 120.500 0.248 0.000 2.337 58 R HA 0.556 4.896 4.340 0.000 0.000 0.319 58 R C -1.308 175.205 176.300 0.354 0.000 0.954 58 R CA -0.357 55.896 56.100 0.255 0.000 0.840 58 R CB 0.953 31.353 30.300 0.167 0.000 1.164 58 R HN 0.630 nan 8.270 nan 0.000 0.472 59 I N 1.520 122.279 120.570 0.315 0.000 2.646 59 I HA 0.564 4.734 4.170 0.000 0.000 0.299 59 I C -0.202 175.904 176.117 -0.020 0.000 1.036 59 I CA -1.029 60.393 61.300 0.204 0.000 1.074 59 I CB 2.217 40.329 38.000 0.188 0.000 1.258 59 I HN 0.549 nan 8.210 nan 0.000 0.430 60 A N 6.538 129.154 122.820 -0.339 0.000 2.337 60 A HA 0.853 5.174 4.320 0.000 0.000 0.329 60 A C -0.817 176.696 177.584 -0.119 0.000 1.146 60 A CA -0.493 51.277 52.037 -0.445 0.000 0.800 60 A CB 0.934 19.345 19.000 -0.981 0.000 1.220 60 A HN 0.638 nan 8.150 nan 0.000 0.472 61 I N 2.300 122.877 120.570 0.011 0.000 2.389 61 I HA 0.309 4.479 4.170 0.000 0.000 0.288 61 I C -0.795 175.390 176.117 0.113 0.000 0.999 61 I CA -0.831 60.508 61.300 0.065 0.000 1.129 61 I CB 2.047 40.097 38.000 0.084 0.000 1.288 61 I HN 0.295 nan 8.210 nan 0.000 0.444 62 V N 5.568 125.524 119.914 0.071 0.000 2.348 62 V HA 0.743 4.863 4.120 0.000 0.000 0.270 62 V C 0.491 176.640 176.094 0.091 0.000 1.037 62 V CA -0.328 62.010 62.300 0.064 0.000 0.872 62 V CB 0.495 32.294 31.823 -0.039 0.000 1.002 62 V HN 1.064 nan 8.190 nan 0.000 0.464 63 G N 3.610 112.472 108.800 0.104 0.000 3.225 63 G HA2 0.179 4.139 3.960 0.000 0.000 0.686 63 G HA3 0.179 4.139 3.960 0.000 0.000 0.686 63 G C 0.091 175.025 174.900 0.057 0.000 1.105 63 G CA -0.496 44.651 45.100 0.078 0.000 0.831 63 G HN 1.230 nan 8.290 nan 0.000 0.578 64 G N 0.782 109.592 108.800 0.017 0.000 4.125 64 G HA2 0.685 4.645 3.960 0.000 0.000 0.301 64 G HA3 0.685 4.645 3.960 0.000 0.000 0.301 64 G C 0.836 175.775 174.900 0.066 0.000 1.273 64 G CA 0.920 46.013 45.100 -0.011 0.000 1.095 64 G HN 1.282 nan 8.290 nan 0.000 0.582 65 G N -0.602 108.236 108.800 0.064 0.000 2.543 65 G HA2 0.481 4.441 3.960 0.000 0.000 0.267 65 G HA3 0.481 4.441 3.960 0.000 0.000 0.267 65 G C 1.381 176.296 174.900 0.026 0.000 1.406 65 G CA 0.293 45.424 45.100 0.051 0.000 1.048 65 G HN 0.357 nan 8.290 nan 0.000 0.548 66 A N -0.872 121.918 122.820 -0.050 0.000 1.908 66 A HA 0.036 4.356 4.320 0.000 0.000 0.218 66 A C 2.540 180.149 177.584 0.041 0.000 1.181 66 A CA 2.539 54.527 52.037 -0.081 0.000 0.627 66 A CB -1.174 17.603 19.000 -0.372 0.000 0.818 66 A HN 1.019 nan 8.150 nan 0.000 0.445 67 G N -0.741 108.072 108.800 0.021 0.000 2.433 67 G HA2 0.043 4.003 3.960 0.000 0.000 0.216 67 G HA3 0.043 4.003 3.960 0.000 0.000 0.216 67 G C 1.550 176.516 174.900 0.109 0.000 1.186 67 G CA 1.226 46.383 45.100 0.095 0.000 0.779 67 G HN 0.720 nan 8.290 nan 0.000 0.543 68 G N 0.807 109.662 108.800 0.092 0.000 2.408 68 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 68 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 68 G C 1.642 176.601 174.900 0.099 0.000 1.150 68 G CA 0.849 46.007 45.100 0.097 0.000 0.776 68 G HN 0.316 nan 8.290 nan 0.000 0.542 69 I N 1.749 122.375 120.570 0.095 0.000 2.286 69 I HA -0.017 4.153 4.170 0.000 0.000 0.245 69 I C 3.213 179.339 176.117 0.015 0.000 1.104 69 I CA 1.003 62.366 61.300 0.105 0.000 1.397 69 I CB -1.336 36.737 38.000 0.122 0.000 1.072 69 I HN 0.244 nan 8.210 nan 0.000 0.417 70 A N 1.107 123.892 122.820 -0.058 0.000 1.933 70 A HA -0.123 4.197 4.320 0.000 0.000 0.218 70 A C 2.584 180.158 177.584 -0.016 0.000 1.175 70 A CA 1.981 53.877 52.037 -0.235 0.000 0.628 70 A CB -0.715 18.116 19.000 -0.282 0.000 0.814 70 A HN 0.405 nan 8.150 nan 0.000 0.444 71 A N -0.484 122.370 122.820 0.056 0.000 1.877 71 A HA -0.040 4.280 4.320 0.000 0.000 0.216 71 A C 2.140 179.756 177.584 0.053 0.000 1.186 71 A CA 1.701 53.776 52.037 0.064 0.000 0.620 71 A CB -0.658 18.387 19.000 0.075 0.000 0.822 71 A HN 0.676 nan 8.150 nan 0.000 0.443 72 L N -1.576 119.690 121.223 0.073 0.000 2.012 72 L HA -0.188 4.152 4.340 0.000 0.000 0.210 72 L C 2.336 179.235 176.870 0.048 0.000 1.073 72 L CA 2.506 57.388 54.840 0.069 0.000 0.748 72 L CB -0.837 41.300 42.059 0.131 0.000 0.891 72 L HN 0.534 nan 8.230 nan 0.000 0.431 73 Y N 0.451 120.717 120.300 -0.057 0.000 2.114 73 Y HA -0.283 4.267 4.550 0.000 0.000 0.282 73 Y C 2.456 178.337 175.900 -0.033 0.000 1.165 73 Y CA 2.239 60.296 58.100 -0.072 0.000 1.148 73 Y CB -0.143 38.233 38.460 -0.141 0.000 0.972 73 Y HN 0.295 nan 8.280 nan 0.000 0.504 74 E N 0.339 120.557 120.200 0.030 0.000 2.110 74 E HA -0.186 4.164 4.350 0.000 0.000 0.193 74 E C 2.346 178.871 176.600 -0.124 0.000 0.988 74 E CA 1.394 57.770 56.400 -0.040 0.000 0.804 74 E CB -0.533 29.202 29.700 0.059 0.000 0.745 74 E HN 0.566 nan 8.360 nan 0.000 0.458 75 L N 0.188 121.353 121.223 -0.097 0.000 2.141 75 L HA -0.080 4.260 4.340 0.000 0.000 0.209 75 L C 2.479 179.270 176.870 -0.133 0.000 1.094 75 L CA 1.117 55.889 54.840 -0.114 0.000 0.763 75 L CB -0.712 41.305 42.059 -0.070 0.000 0.908 75 L HN 0.177 nan 8.230 nan 0.000 0.437 76 G N -0.134 108.570 108.800 -0.159 0.000 2.421 76 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 76 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 76 G C 1.727 176.501 174.900 -0.210 0.000 1.171 76 G CA 0.286 45.277 45.100 -0.182 0.000 0.775 76 G HN 0.215 nan 8.290 nan 0.000 0.543 77 R N -0.046 120.278 120.500 -0.293 0.000 2.081 77 R HA 0.042 4.382 4.340 0.000 0.000 0.235 77 R C 2.636 178.842 176.300 -0.157 0.000 1.131 77 R CA 0.794 56.747 56.100 -0.244 0.000 0.960 77 R CB -0.709 29.427 30.300 -0.274 0.000 0.856 77 R HN 0.369 nan 8.270 nan 0.000 0.436 78 L N 0.243 121.375 121.223 -0.152 0.000 2.056 78 L HA -0.121 4.219 4.340 0.000 0.000 0.207 78 L C 2.741 179.543 176.870 -0.114 0.000 1.078 78 L CA 1.215 55.975 54.840 -0.135 0.000 0.749 78 L CB -0.722 41.237 42.059 -0.166 0.000 0.901 78 L HN 0.190 nan 8.230 nan 0.000 0.433 79 A N 0.245 122.999 122.820 -0.109 0.000 1.940 79 A HA -0.214 4.106 4.320 0.000 0.000 0.219 79 A C 2.479 180.032 177.584 -0.053 0.000 1.176 79 A CA 1.807 53.802 52.037 -0.070 0.000 0.631 79 A CB -0.654 18.312 19.000 -0.058 0.000 0.814 79 A HN 0.426 nan 8.150 nan 0.000 0.446 80 A N -0.488 122.290 122.820 -0.070 0.000 2.067 80 A HA -0.036 4.284 4.320 0.000 0.000 0.219 80 A C 2.250 179.809 177.584 -0.042 0.000 1.158 80 A CA 2.153 54.156 52.037 -0.055 0.000 0.661 80 A CB -1.089 17.869 19.000 -0.070 0.000 0.801 80 A HN 0.823 nan 8.150 nan 0.000 0.452 81 T N -2.404 112.122 114.554 -0.048 0.000 3.100 81 T HA 0.334 4.684 4.350 0.000 0.000 0.253 81 T C 0.596 175.284 174.700 -0.021 0.000 1.118 81 T CA -0.167 61.911 62.100 -0.036 0.000 1.058 81 T CB -0.527 68.313 68.868 -0.047 0.000 0.953 81 T HN 0.227 nan 8.240 nan 0.000 0.515 82 L N 2.457 123.673 121.223 -0.012 0.000 2.464 82 L HA 0.391 4.731 4.340 0.000 0.000 0.264 82 L C -1.821 175.059 176.870 0.017 0.000 1.199 82 L CA -2.319 52.530 54.840 0.015 0.000 0.818 82 L CB 0.434 42.519 42.059 0.043 0.000 1.102 82 L HN 0.095 nan 8.230 nan 0.000 0.473 83 P HA 0.177 nan 4.420 nan 0.000 0.279 83 P C -1.025 176.287 177.300 0.020 0.000 1.276 83 P CA -0.640 62.472 63.100 0.019 0.000 0.801 83 P CB 0.593 32.306 31.700 0.021 0.000 1.127 84 A N 0.061 122.888 122.820 0.013 0.000 2.565 84 A HA 0.386 4.707 4.320 0.000 0.000 0.237 84 A C 1.460 179.053 177.584 0.015 0.000 1.053 84 A CA 0.982 53.026 52.037 0.012 0.000 0.755 84 A CB -1.641 17.364 19.000 0.008 0.000 0.980 84 A HN 0.907 nan 8.150 nan 0.000 0.506 85 G N 1.321 110.131 108.800 0.015 0.000 2.225 85 G HA2 -0.204 3.756 3.960 0.000 0.000 0.254 85 G HA3 -0.204 3.756 3.960 0.000 0.000 0.254 85 G C 0.548 175.462 174.900 0.023 0.000 0.988 85 G CA 0.513 45.622 45.100 0.015 0.000 0.625 85 G HN 1.217 nan 8.290 nan 0.000 0.527 86 S N -0.195 115.527 115.700 0.037 0.000 2.690 86 S HA 0.877 5.347 4.470 0.000 0.000 0.291 86 S C 0.502 175.149 174.600 0.079 0.000 1.138 86 S CA 0.355 58.594 58.200 0.065 0.000 1.013 86 S CB 1.870 65.126 63.200 0.093 0.000 1.053 86 S HN 1.805 nan 8.310 nan 0.000 0.539 87 G N -0.010 108.868 108.800 0.130 0.000 2.349 87 G HA2 0.511 4.471 3.960 0.000 0.000 0.294 87 G HA3 0.511 4.471 3.960 0.000 0.000 0.294 87 G C -2.115 172.898 174.900 0.188 0.000 1.380 87 G CA -0.752 44.417 45.100 0.116 0.000 0.811 87 G HN 0.604 nan 8.290 nan 0.000 0.519 88 I N 1.089 121.737 120.570 0.130 0.000 2.499 88 I HA 0.324 4.494 4.170 0.000 0.000 0.288 88 I C -1.287 174.895 176.117 0.109 0.000 1.048 88 I CA -0.705 60.685 61.300 0.150 0.000 1.062 88 I CB 2.273 40.316 38.000 0.072 0.000 1.238 88 I HN 0.429 nan 8.210 nan 0.000 0.426 89 D N 6.555 127.037 120.400 0.136 0.000 2.233 89 D HA 0.394 5.034 4.640 0.000 0.000 0.240 89 D C -1.255 175.126 176.300 0.135 0.000 1.074 89 D CA -0.248 53.821 54.000 0.115 0.000 0.838 89 D CB 2.221 43.090 40.800 0.114 0.000 1.124 89 D HN 0.135 nan 8.370 nan 0.000 0.475 90 V N 4.538 124.514 119.914 0.104 0.000 2.409 90 V HA 0.201 4.321 4.120 0.000 0.000 0.291 90 V C -0.037 176.111 176.094 0.090 0.000 1.020 90 V CA -0.841 61.518 62.300 0.097 0.000 0.848 90 V CB 1.667 33.535 31.823 0.075 0.000 0.990 90 V HN 0.499 nan 8.190 nan 0.000 0.430 91 Q N 4.920 124.775 119.800 0.092 0.000 2.322 91 Q HA 0.527 4.867 4.340 0.000 0.000 0.256 91 Q C -0.675 175.335 176.000 0.017 0.000 0.960 91 Q CA -0.110 55.712 55.803 0.033 0.000 0.934 91 Q CB 2.261 31.054 28.738 0.090 0.000 1.200 91 Q HN 0.641 nan 8.270 nan 0.000 0.435 92 I N 3.474 124.040 120.570 -0.007 0.000 2.312 92 I HA 0.226 4.396 4.170 0.000 0.000 0.290 92 I C -0.517 175.600 176.117 -0.001 0.000 1.008 92 I CA -0.755 60.572 61.300 0.045 0.000 1.226 92 I CB 0.503 38.521 38.000 0.030 0.000 1.371 92 I HN 0.429 nan 8.210 nan 0.000 0.468 93 Y N 4.741 125.035 120.300 -0.010 0.000 2.327 93 Y HA 0.387 4.938 4.550 0.000 0.000 0.336 93 Y C 0.309 176.216 175.900 0.012 0.000 1.035 93 Y CA -0.408 57.699 58.100 0.012 0.000 1.165 93 Y CB 1.097 39.568 38.460 0.018 0.000 1.181 93 Y HN 0.462 nan 8.280 nan 0.000 0.494 94 E N 2.168 122.463 120.200 0.158 0.000 2.343 94 E HA 0.507 4.857 4.350 0.000 0.000 0.260 94 E C -0.475 176.260 176.600 0.225 0.000 0.908 94 E CA -0.363 56.107 56.400 0.117 0.000 0.814 94 E CB 1.218 30.870 29.700 -0.081 0.000 1.302 94 E HN 0.631 nan 8.360 nan 0.000 0.408 95 A N 3.769 126.687 122.820 0.163 0.000 2.067 95 A HA 0.006 4.326 4.320 0.000 0.000 0.217 95 A C 0.872 178.531 177.584 0.125 0.000 1.156 95 A CA 0.684 52.802 52.037 0.136 0.000 0.683 95 A CB -0.211 18.860 19.000 0.118 0.000 0.808 95 A HN 0.544 nan 8.150 nan 0.000 0.455 96 D N 0.350 120.835 120.400 0.141 0.000 2.358 96 D HA 0.141 4.781 4.640 0.000 0.000 0.258 96 D C -1.348 175.052 176.300 0.166 0.000 1.223 96 D CA -2.117 51.958 54.000 0.124 0.000 0.886 96 D CB 1.125 41.989 40.800 0.107 0.000 1.120 96 D HN 0.112 nan 8.370 nan 0.000 0.482 97 P HA -0.106 nan 4.420 nan 0.000 0.222 97 P C 0.202 177.578 177.300 0.126 0.000 1.147 97 P CA 0.800 63.951 63.100 0.084 0.000 0.790 97 P CB 0.463 32.172 31.700 0.015 0.000 0.780 98 D N -0.543 119.919 120.400 0.104 0.000 2.340 98 D HA 0.009 4.649 4.640 0.000 0.000 0.220 98 D C 0.797 177.137 176.300 0.068 0.000 1.039 98 D CA 0.281 54.328 54.000 0.080 0.000 0.866 98 D CB -0.012 40.826 40.800 0.062 0.000 0.913 98 D HN 0.132 nan 8.370 nan 0.000 0.523 99 S N 0.516 116.243 115.700 0.044 0.000 2.558 99 S HA -0.059 4.411 4.470 0.000 0.000 0.288 99 S C 1.433 175.938 174.600 -0.158 0.000 1.318 99 S CA -0.636 57.506 58.200 -0.097 0.000 1.056 99 S CB 0.246 63.227 63.200 -0.364 0.000 0.853 99 S HN 0.238 nan 8.310 nan 0.000 0.505 100 F N 4.032 123.895 119.950 -0.144 0.000 2.236 100 F HA -0.057 4.470 4.527 0.000 0.000 0.302 100 F C 1.385 177.046 175.800 -0.233 0.000 1.073 100 F CA 1.069 58.982 58.000 -0.145 0.000 1.336 100 F CB -0.571 38.355 39.000 -0.124 0.000 1.040 100 F HN 0.504 nan 8.300 nan 0.000 0.507 101 L N -0.052 120.360 121.223 -1.352 0.000 2.275 101 L HA -0.149 4.191 4.340 0.000 0.000 0.215 101 L C 1.853 178.337 176.870 -0.643 0.000 1.119 101 L CA 0.864 54.964 54.840 -1.233 0.000 0.790 101 L CB -0.788 40.450 42.059 -1.367 0.000 0.919 101 L HN 0.309 nan 8.230 nan 0.000 0.443 102 H N -2.185 116.722 119.070 -0.273 0.000 2.549 102 H HA 0.125 4.681 4.556 0.000 0.000 0.279 102 H C 0.222 175.503 175.328 -0.079 0.000 1.018 102 H CA 0.152 56.111 56.048 -0.147 0.000 1.175 102 H CB 0.243 29.938 29.762 -0.112 0.000 1.485 102 H HN 0.156 nan 8.280 nan 0.000 0.543 103 D N 0.757 121.162 120.400 0.008 0.000 2.772 103 D HA 0.134 4.774 4.640 0.000 0.000 0.272 103 D C 0.431 176.756 176.300 0.042 0.000 1.314 103 D CA -0.279 53.743 54.000 0.036 0.000 0.835 103 D CB 0.412 41.240 40.800 0.047 0.000 1.080 103 D HN 0.327 nan 8.370 nan 0.000 0.482 110 I N 1.615 122.049 120.570 -0.227 0.000 2.439 110 I HA 0.382 4.552 4.170 0.000 0.000 0.283 110 I C -0.066 176.037 176.117 -0.022 0.000 1.023 110 I CA -0.412 60.803 61.300 -0.143 0.000 1.100 110 I CB 1.864 39.830 38.000 -0.057 0.000 1.238 110 I HN 0.675 nan 8.210 nan 0.000 0.445 111 K N 5.557 125.974 120.400 0.029 0.000 2.183 111 K HA 0.478 4.798 4.320 0.000 0.000 0.274 111 K C 0.462 177.061 176.600 -0.002 0.000 1.009 111 K CA -0.441 55.882 56.287 0.060 0.000 0.888 111 K CB 1.719 34.273 32.500 0.089 0.000 1.078 111 K HN 0.544 nan 8.250 nan 0.000 0.459 112 V N 1.165 121.091 119.914 0.020 0.000 3.562 112 V HA 0.284 4.404 4.120 0.000 0.000 0.270 112 V C 0.630 176.738 176.094 0.023 0.000 1.418 112 V CA -0.281 62.025 62.300 0.011 0.000 1.033 112 V CB -0.096 31.746 31.823 0.033 0.000 0.820 112 V HN 0.741 nan 8.190 nan 0.000 0.441 113 R N 1.396 121.914 120.500 0.030 0.000 2.484 113 R HA 0.407 4.747 4.340 0.000 0.000 0.293 113 R C 1.323 177.645 176.300 0.036 0.000 1.023 113 R CA 1.259 57.381 56.100 0.037 0.000 1.037 113 R CB 0.238 30.558 30.300 0.034 0.000 0.951 113 R HN 0.947 nan 8.270 nan 0.000 0.418 114 G N 3.541 112.372 108.800 0.051 0.000 2.179 114 G HA2 -0.264 3.696 3.960 0.000 0.000 0.260 114 G HA3 -0.264 3.696 3.960 0.000 0.000 0.260 114 G C 0.376 175.330 174.900 0.090 0.000 0.977 114 G CA 0.369 45.510 45.100 0.068 0.000 0.641 114 G HN 0.595 nan 8.290 nan 0.000 0.533 115 L N -0.296 120.964 121.223 0.062 0.000 2.769 115 L HA 0.352 4.692 4.340 0.000 0.000 0.240 115 L C 0.891 177.797 176.870 0.060 0.000 1.163 115 L CA 0.034 54.901 54.840 0.046 0.000 0.962 115 L CB 0.251 42.312 42.059 0.003 0.000 1.258 115 L HN 0.097 nan 8.230 nan 0.000 0.513 116 K N 0.993 121.452 120.400 0.099 0.000 2.259 116 K HA 0.716 5.036 4.320 0.000 0.000 0.252 116 K C -0.417 176.304 176.600 0.202 0.000 0.936 116 K CA -0.457 55.900 56.287 0.116 0.000 0.810 116 K CB 2.655 35.211 32.500 0.094 0.000 1.143 116 K HN -0.087 nan 8.250 nan 0.000 0.427 117 A N 2.194 125.117 122.820 0.171 0.000 3.030 117 A HA 0.578 4.898 4.320 0.000 0.000 0.335 117 A C 0.554 178.204 177.584 0.109 0.000 1.089 117 A CA 0.067 52.230 52.037 0.211 0.000 0.807 117 A CB -0.092 18.979 19.000 0.119 0.000 1.099 117 A HN 0.922 nan 8.150 nan 0.000 0.474 118 G N 2.007 110.874 108.800 0.112 0.000 2.596 118 G HA2 -0.352 3.608 3.960 0.000 0.000 0.304 118 G HA3 -0.352 3.608 3.960 0.000 0.000 0.304 118 G C 0.907 175.883 174.900 0.127 0.000 1.189 118 G CA 0.733 45.894 45.100 0.102 0.000 0.986 118 G HN 0.766 nan 8.290 nan 0.000 0.548 119 R N -0.176 120.319 120.500 -0.008 0.000 2.310 119 R HA 0.328 4.668 4.340 0.000 0.000 0.202 119 R C 0.324 176.558 176.300 -0.111 0.000 0.933 119 R CA 0.256 56.229 56.100 -0.213 0.000 1.054 119 R CB 0.335 30.369 30.300 -0.442 0.000 0.985 119 R HN 0.235 nan 8.270 nan 0.000 0.489 120 V N 1.183 121.094 119.914 -0.006 0.000 2.353 120 V HA 0.161 4.281 4.120 0.000 0.000 0.264 120 V C -0.101 176.044 176.094 0.086 0.000 1.049 120 V CA -0.146 62.180 62.300 0.044 0.000 0.896 120 V CB 1.116 32.954 31.823 0.025 0.000 1.025 120 V HN 0.009 nan 8.190 nan 0.000 0.475 121 S N 4.247 120.016 115.700 0.115 0.000 2.720 121 S HA 0.796 5.266 4.470 0.000 0.000 0.278 121 S C -0.463 174.167 174.600 0.050 0.000 1.172 121 S CA -0.080 58.183 58.200 0.105 0.000 1.019 121 S CB 1.314 64.635 63.200 0.201 0.000 1.049 121 S HN 1.012 nan 8.310 nan 0.000 0.483 122 A N 3.347 126.167 122.820 -0.000 0.000 2.340 122 A HA 0.944 5.264 4.320 0.000 0.000 0.331 122 A C -0.147 177.363 177.584 -0.123 0.000 1.140 122 A CA -0.516 51.484 52.037 -0.062 0.000 0.801 122 A CB 1.369 20.342 19.000 -0.045 0.000 1.234 122 A HN 1.361 nan 8.150 nan 0.000 0.469 123 A N 1.448 124.122 122.820 -0.244 0.000 2.304 123 A HA 0.607 4.927 4.320 0.000 0.000 0.314 123 A C -0.896 176.435 177.584 -0.423 0.000 1.187 123 A CA -0.442 51.397 52.037 -0.331 0.000 0.810 123 A CB 0.669 19.362 19.000 -0.512 0.000 1.183 123 A HN 1.507 nan 8.150 nan 0.000 0.487 124 L N 4.185 125.240 121.223 -0.279 0.000 2.257 124 L HA 0.586 4.926 4.340 0.000 0.000 0.290 124 L C -0.697 176.026 176.870 -0.244 0.000 1.044 124 L CA -0.061 54.639 54.840 -0.233 0.000 0.810 124 L CB 1.261 43.258 42.059 -0.102 0.000 1.193 124 L HN 0.391 nan 8.230 nan 0.000 0.425 125 V N 6.358 126.038 119.914 -0.390 0.000 2.406 125 V HA 0.482 4.602 4.120 0.000 0.000 0.272 125 V C -0.190 175.782 176.094 -0.204 0.000 1.043 125 V CA -0.236 61.825 62.300 -0.398 0.000 0.915 125 V CB 0.429 31.905 31.823 -0.578 0.000 0.988 125 V HN 1.069 nan 8.190 nan 0.000 0.466 126 H N 1.845 120.782 119.070 -0.222 0.000 2.966 126 H HA 0.530 5.086 4.556 0.000 0.000 0.330 126 H C -0.612 174.636 175.328 -0.134 0.000 1.292 126 H CA -1.028 54.922 56.048 -0.164 0.000 1.127 126 H CB 1.244 30.933 29.762 -0.122 0.000 1.863 126 H HN 0.289 nan 8.280 nan 0.000 0.543 127 N N -0.681 118.011 118.700 -0.013 0.000 2.275 127 N HA 0.377 5.117 4.740 0.000 0.000 0.236 127 N C 0.648 176.198 175.510 0.068 0.000 1.154 127 N CA 0.444 53.467 53.050 -0.046 0.000 0.866 127 N CB 1.505 39.968 38.487 -0.040 0.000 1.093 127 N HN 0.908 nan 8.380 nan 0.000 0.515 128 G N 0.062 109.058 108.800 0.327 0.000 2.705 128 G HA2 -0.206 3.754 3.960 0.000 0.000 0.193 128 G HA3 -0.206 3.754 3.960 0.000 0.000 0.193 128 G C -0.740 174.251 174.900 0.151 0.000 1.015 128 G CA -0.508 44.722 45.100 0.217 0.000 0.743 128 G HN 0.320 nan 8.290 nan 0.000 0.476 129 D N 1.463 121.928 120.400 0.108 0.000 2.461 129 D HA 0.556 5.196 4.640 0.000 0.000 0.240 129 D C -1.195 174.986 176.300 -0.198 0.000 1.094 129 D CA -2.082 51.885 54.000 -0.054 0.000 0.868 129 D CB 2.110 42.899 40.800 -0.018 0.000 1.062 129 D HN 0.072 nan 8.370 nan 0.000 0.530 130 P HA -0.013 nan 4.420 nan 0.000 0.226 130 P C 0.887 178.060 177.300 -0.212 0.000 1.153 130 P CA 0.433 63.225 63.100 -0.514 0.000 0.777 130 P CB 0.228 31.590 31.700 -0.564 0.000 0.794 131 A N -0.960 121.777 122.820 -0.138 0.000 2.206 131 A HA 0.065 4.385 4.320 0.000 0.000 0.211 131 A C 1.571 179.126 177.584 -0.049 0.000 1.158 131 A CA 0.802 52.794 52.037 -0.074 0.000 0.761 131 A CB -0.545 18.424 19.000 -0.052 0.000 0.801 131 A HN 0.184 nan 8.150 nan 0.000 0.473 132 S N -0.091 115.582 115.700 -0.045 0.000 2.128 132 S HA 0.511 4.981 4.470 0.000 0.000 0.157 132 S C 0.399 174.999 174.600 0.000 0.000 1.650 132 S CA -0.022 58.169 58.200 -0.014 0.000 1.269 132 S CB -0.541 62.658 63.200 -0.001 0.000 1.227 132 S HN 0.632 nan 8.310 nan 0.000 0.405 133 G N 1.022 109.815 108.800 -0.011 0.000 2.557 133 G HA2 0.354 4.314 3.960 0.000 0.000 0.292 133 G HA3 0.354 4.314 3.960 0.000 0.000 0.292 133 G C 0.099 174.986 174.900 -0.021 0.000 1.237 133 G CA -0.382 44.714 45.100 -0.008 0.000 0.978 133 G HN 0.469 nan 8.290 nan 0.000 0.498 134 D N -1.603 118.742 120.400 -0.091 0.000 2.290 134 D HA 0.181 4.821 4.640 0.000 0.000 0.224 134 D C 1.054 177.317 176.300 -0.061 0.000 0.967 134 D CA 1.129 55.054 54.000 -0.125 0.000 0.893 134 D CB 0.445 40.945 40.800 -0.500 0.000 1.037 134 D HN 0.362 nan 8.370 nan 0.000 0.477 135 T N -0.800 113.663 114.554 -0.152 0.000 2.739 135 T HA 0.478 4.828 4.350 0.000 0.000 0.303 135 T C -1.939 172.618 174.700 -0.238 0.000 1.389 135 T CA -0.657 61.373 62.100 -0.118 0.000 1.001 135 T CB 1.112 69.956 68.868 -0.041 0.000 1.436 135 T HN -0.247 nan 8.240 nan 0.000 0.500 136 I N 2.674 123.132 120.570 -0.187 0.000 2.465 136 I HA 0.383 4.553 4.170 0.000 0.000 0.291 136 I C -0.824 175.156 176.117 -0.227 0.000 1.014 136 I CA -0.775 60.376 61.300 -0.249 0.000 1.093 136 I CB 1.477 39.409 38.000 -0.114 0.000 1.267 136 I HN 0.737 nan 8.210 nan 0.000 0.431 137 Y N 3.928 123.910 120.300 -0.530 0.000 2.341 137 Y HA 0.254 4.804 4.550 0.000 0.000 0.340 137 Y C 0.736 176.272 175.900 -0.605 0.000 0.997 137 Y CA -1.035 56.462 58.100 -1.005 0.000 1.149 137 Y CB 1.370 38.737 38.460 -1.822 0.000 1.171 137 Y HN 0.398 nan 8.280 nan 0.000 0.494 138 E N 3.731 123.850 120.200 -0.136 0.000 1.941 138 E HA 0.066 4.416 4.350 0.000 0.000 0.275 138 E C 0.515 177.215 176.600 0.167 0.000 1.113 138 E CA 0.002 56.434 56.400 0.053 0.000 0.878 138 E CB 1.392 31.171 29.700 0.132 0.000 1.070 138 E HN 0.608 nan 8.360 nan 0.000 0.399 139 V N 2.255 122.263 119.914 0.156 0.000 2.591 139 V HA -0.036 4.084 4.120 0.000 0.000 0.249 139 V C 1.350 177.760 176.094 0.526 0.000 1.053 139 V CA 1.828 64.342 62.300 0.358 0.000 1.068 139 V CB -0.072 31.869 31.823 0.197 0.000 0.689 139 V HN 0.603 nan 8.190 nan 0.000 0.462 140 G N -0.921 108.082 108.800 0.338 0.000 3.414 140 G HA2 0.547 4.507 3.960 0.000 0.000 0.196 140 G HA3 0.547 4.507 3.960 0.000 0.000 0.196 140 G C 0.244 175.131 174.900 -0.022 0.000 1.486 140 G CA 0.148 45.311 45.100 0.105 0.000 0.811 140 G HN 0.468 nan 8.290 nan 0.000 0.704 141 A N 0.159 122.952 122.820 -0.046 0.000 2.540 141 A HA 0.470 4.790 4.320 0.000 0.000 0.239 141 A C 0.818 178.402 177.584 -0.000 0.000 1.061 141 A CA 1.266 53.279 52.037 -0.040 0.000 0.758 141 A CB -0.187 18.890 19.000 0.129 0.000 0.991 141 A HN 1.092 nan 8.150 nan 0.000 0.502 142 M N 1.386 120.810 119.600 -0.293 0.000 2.010 142 M HA 0.261 4.741 4.480 0.000 0.000 0.371 142 M C 0.150 175.974 176.300 -0.794 0.000 0.831 142 M CA -0.175 54.934 55.300 -0.319 0.000 1.161 142 M CB 0.542 33.029 32.600 -0.188 0.000 2.243 142 M HN 0.689 nan 8.290 nan 0.000 0.766 143 R N 0.832 120.555 120.500 -1.294 0.000 2.621 143 R HA 0.682 5.022 4.340 0.000 0.000 0.284 143 R C -2.140 173.587 176.300 -0.956 0.000 0.998 143 R CA -0.440 55.020 56.100 -1.067 0.000 0.895 143 R CB 1.278 30.889 30.300 -1.148 0.000 1.195 143 R HN 0.045 nan 8.270 nan 0.000 0.450 144 F N 1.959 122.019 119.950 0.184 0.000 2.499 144 F HA 0.434 4.961 4.527 0.000 0.000 0.333 144 F C -2.250 173.694 175.800 0.241 0.000 1.138 144 F CA -2.910 55.205 58.000 0.192 0.000 0.945 144 F CB 2.049 41.072 39.000 0.038 0.000 1.181 144 F HN 0.344 nan 8.300 nan 0.000 0.435 145 P HA -0.007 nan 4.420 nan 0.000 0.266 145 P C 0.929 178.339 177.300 0.182 0.000 1.195 145 P CA 0.196 63.170 63.100 -0.209 0.000 0.768 145 P CB 0.860 31.904 31.700 -1.093 0.000 0.838 146 E N 2.854 123.155 120.200 0.167 0.000 2.118 146 E HA -0.196 4.154 4.350 0.000 0.000 0.195 146 E C 1.260 177.906 176.600 0.077 0.000 0.992 146 E CA 1.129 57.619 56.400 0.150 0.000 0.804 146 E CB -0.208 29.543 29.700 0.084 0.000 0.741 146 E HN 0.554 nan 8.360 nan 0.000 0.458 147 I N -2.259 118.240 120.570 -0.118 0.000 3.810 147 I HA 0.288 4.458 4.170 0.000 0.000 0.322 147 I C 0.638 176.860 176.117 0.175 0.000 1.288 147 I CA -0.174 61.082 61.300 -0.073 0.000 1.143 147 I CB 0.448 38.355 38.000 -0.155 0.000 1.012 147 I HN -0.117 nan 8.210 nan 0.000 0.423 148 A N 1.776 124.735 122.820 0.232 0.000 3.030 148 A HA 0.463 4.783 4.320 0.000 0.000 0.273 148 A C 1.729 179.612 177.584 0.499 0.000 1.841 148 A CA 0.376 52.713 52.037 0.501 0.000 1.479 148 A CB -1.037 18.153 19.000 0.317 0.000 1.048 148 A HN 0.595 nan 8.150 nan 0.000 0.612 149 G N 0.774 109.869 108.800 0.493 0.000 2.418 149 G HA2 -0.188 3.772 3.960 0.000 0.000 0.217 149 G HA3 -0.188 3.772 3.960 0.000 0.000 0.217 149 G C 1.293 176.391 174.900 0.329 0.000 1.158 149 G CA 1.204 46.544 45.100 0.400 0.000 0.771 149 G HN 0.626 nan 8.290 nan 0.000 0.545 150 L N 0.885 122.288 121.223 0.300 0.000 2.109 150 L HA 0.066 4.406 4.340 0.000 0.000 0.207 150 L C 2.948 179.959 176.870 0.235 0.000 1.086 150 L CA 2.167 57.122 54.840 0.190 0.000 0.760 150 L CB -0.839 41.354 42.059 0.223 0.000 0.910 150 L HN 0.174 nan 8.230 nan 0.000 0.437 151 T N -1.207 113.569 114.554 0.370 0.000 2.652 151 T HA -0.262 4.088 4.350 0.000 0.000 0.267 151 T C 1.443 176.173 174.700 0.050 0.000 1.039 151 T CA 2.324 64.627 62.100 0.338 0.000 1.153 151 T CB -0.586 68.330 68.868 0.080 0.000 0.863 151 T HN 0.509 nan 8.240 nan 0.000 0.428 152 W N 0.385 121.817 121.300 0.220 0.000 2.436 152 W HA 0.000 4.660 4.660 0.000 0.000 0.284 152 W C 2.416 178.970 176.519 0.059 0.000 1.225 152 W CA 0.641 58.040 57.345 0.089 0.000 1.271 152 W CB -0.480 29.011 29.460 0.051 0.000 1.114 152 W HN 0.458 nan 8.180 nan 0.000 0.559 153 H N -1.046 118.100 119.070 0.127 0.000 2.319 153 H HA -0.267 4.289 4.556 0.000 0.000 0.299 153 H C 1.844 177.108 175.328 -0.106 0.000 1.092 153 H CA 2.444 58.462 56.048 -0.049 0.000 1.302 153 H CB -0.646 28.995 29.762 -0.200 0.000 1.373 153 H HN 0.084 nan 8.280 nan 0.000 0.497 154 Y N -0.066 120.192 120.300 -0.070 0.000 2.263 154 Y HA 0.043 4.593 4.550 0.000 0.000 0.292 154 Y C 2.771 178.659 175.900 -0.021 0.000 1.130 154 Y CA 0.873 58.841 58.100 -0.219 0.000 1.179 154 Y CB -0.919 37.277 38.460 -0.439 0.000 0.998 154 Y HN 0.419 nan 8.280 nan 0.000 0.532 155 A N -1.112 121.778 122.820 0.118 0.000 1.933 155 A HA -0.214 4.106 4.320 0.000 0.000 0.218 155 A C 2.544 180.164 177.584 0.060 0.000 1.175 155 A CA 1.956 53.917 52.037 -0.127 0.000 0.628 155 A CB -1.044 17.840 19.000 -0.193 0.000 0.814 155 A HN 0.377 nan 8.150 nan 0.000 0.444 156 S N -0.491 115.237 115.700 0.046 0.000 2.368 156 S HA -0.002 4.468 4.470 0.000 0.000 0.224 156 S C 2.193 176.753 174.600 -0.067 0.000 1.029 156 S CA 1.440 59.647 58.200 0.012 0.000 0.988 156 S CB -0.476 62.714 63.200 -0.017 0.000 0.838 156 S HN 0.820 nan 8.310 nan 0.000 0.462 157 A N 1.194 123.918 122.820 -0.159 0.000 1.908 157 A HA 0.113 4.433 4.320 0.000 0.000 0.218 157 A C 2.400 179.876 177.584 -0.182 0.000 1.181 157 A CA 1.978 53.912 52.037 -0.172 0.000 0.627 157 A CB -1.236 17.590 19.000 -0.291 0.000 0.818 157 A HN 0.752 nan 8.150 nan 0.000 0.445 158 A N -2.285 120.375 122.820 -0.267 0.000 1.970 158 A HA 0.295 4.615 4.320 0.000 0.000 0.216 158 A C 1.535 178.759 177.584 -0.600 0.000 1.170 158 A CA 1.395 53.119 52.037 -0.522 0.000 0.645 158 A CB -0.274 18.243 19.000 -0.804 0.000 0.816 158 A HN 0.502 nan 8.150 nan 0.000 0.447 159 F N -1.736 118.198 119.950 -0.027 0.000 2.831 159 F HA 0.453 4.980 4.527 0.000 0.000 0.334 159 F C 1.126 176.912 175.800 -0.023 0.000 1.071 159 F CA 0.064 58.046 58.000 -0.029 0.000 1.172 159 F CB 0.191 39.158 39.000 -0.054 0.000 1.054 159 F HN 0.393 nan 8.300 nan 0.000 0.572 160 G N 1.002 109.875 108.800 0.122 0.000 2.705 160 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 160 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 160 G C -0.059 174.880 174.900 0.064 0.000 1.285 160 G CA -0.322 44.818 45.100 0.067 0.000 0.800 160 G HN 0.040 nan 8.290 nan 0.000 0.611 161 D N 0.601 121.018 120.400 0.028 0.000 2.182 161 D HA 0.011 4.651 4.640 0.000 0.000 0.201 161 D C 2.662 178.956 176.300 -0.010 0.000 0.986 161 D CA 2.021 56.025 54.000 0.008 0.000 0.847 161 D CB -0.255 40.542 40.800 -0.005 0.000 0.942 161 D HN 0.952 nan 8.370 nan 0.000 0.467 162 A N 0.364 123.183 122.820 -0.001 0.000 2.168 162 A HA 0.261 4.581 4.320 0.000 0.000 0.215 162 A C 1.318 178.890 177.584 -0.020 0.000 1.152 162 A CA 0.670 52.698 52.037 -0.014 0.000 0.716 162 A CB -0.328 18.668 19.000 -0.006 0.000 0.794 162 A HN 0.190 nan 8.150 nan 0.000 0.465 163 A N 1.602 124.418 122.820 -0.006 0.000 2.520 163 A HA 0.479 4.799 4.320 0.000 0.000 0.245 163 A C -2.176 175.373 177.584 -0.059 0.000 1.072 163 A CA -1.051 50.970 52.037 -0.026 0.000 0.761 163 A CB -0.176 18.813 19.000 -0.018 0.000 1.004 163 A HN 0.327 nan 8.150 nan 0.000 0.499 164 P HA 0.402 nan 4.420 nan 0.000 0.279 164 P C -0.545 176.723 177.300 -0.053 0.000 1.239 164 P CA 0.100 63.165 63.100 -0.058 0.000 0.789 164 P CB 0.882 32.558 31.700 -0.039 0.000 0.933 165 I N -1.093 119.452 120.570 -0.042 0.000 2.892 165 I HA 0.643 4.813 4.170 0.000 0.000 0.306 165 I C -0.776 175.404 176.117 0.106 0.000 1.078 165 I CA -1.454 59.866 61.300 0.033 0.000 1.032 165 I CB 2.816 40.806 38.000 -0.017 0.000 1.229 165 I HN 0.144 nan 8.210 nan 0.000 0.435 166 K N 2.798 123.317 120.400 0.197 0.000 2.328 166 K HA 0.598 4.918 4.320 0.000 0.000 0.246 166 K C -1.153 175.586 176.600 0.232 0.000 0.955 166 K CA -0.995 55.401 56.287 0.182 0.000 0.817 166 K CB 2.787 35.340 32.500 0.088 0.000 1.208 166 K HN 0.423 nan 8.250 nan 0.000 0.432 167 V N 2.742 122.694 119.914 0.064 0.000 2.585 167 V HA 0.002 4.122 4.120 0.000 0.000 0.296 167 V C 0.030 176.081 176.094 -0.071 0.000 1.035 167 V CA -0.068 62.125 62.300 -0.179 0.000 1.084 167 V CB -0.261 31.454 31.823 -0.179 0.000 0.953 167 V HN 0.551 nan 8.190 nan 0.000 0.483 168 F N 8.615 128.483 119.950 -0.136 0.000 2.538 168 F HA 0.272 4.799 4.527 0.000 0.000 0.371 168 F C -1.355 174.426 175.800 -0.031 0.000 1.087 168 F CA -1.886 56.087 58.000 -0.046 0.000 1.250 168 F CB 0.911 39.886 39.000 -0.042 0.000 1.110 168 F HN 0.379 nan 8.300 nan 0.000 0.570 169 P HA 0.011 nan 4.420 nan 0.000 0.226 169 P C -0.889 176.439 177.300 0.047 0.000 1.783 169 P CA -0.090 62.852 63.100 -0.262 0.000 0.980 169 P CB -0.219 31.305 31.700 -0.294 0.000 1.967 170 N N 2.625 121.479 118.700 0.257 0.000 2.415 170 N HA 0.132 4.872 4.740 0.000 0.000 0.248 170 N C -2.168 173.436 175.510 0.157 0.000 1.271 170 N CA -1.564 51.725 53.050 0.398 0.000 0.913 170 N CB -0.169 38.499 38.487 0.302 0.000 1.129 170 N HN 0.213 nan 8.380 nan 0.000 0.444 171 P HA 0.007 nan 4.420 nan 0.000 0.262 171 P C 0.765 178.018 177.300 -0.078 0.000 1.182 171 P CA 0.617 63.666 63.100 -0.085 0.000 0.761 171 P CB 0.212 31.863 31.700 -0.081 0.000 0.795 172 G N 3.244 111.869 108.800 -0.290 0.000 2.284 172 G HA2 -0.275 3.685 3.960 0.000 0.000 0.247 172 G HA3 -0.275 3.685 3.960 0.000 0.000 0.247 172 G C 1.178 175.994 174.900 -0.140 0.000 1.012 172 G CA 0.084 45.081 45.100 -0.173 0.000 0.618 172 G HN 0.489 nan 8.290 nan 0.000 0.521 173 K N 0.325 120.664 120.400 -0.102 0.000 2.262 173 K HA 0.338 4.658 4.320 0.000 0.000 0.200 173 K C 1.354 177.883 176.600 -0.117 0.000 1.049 173 K CA 1.404 57.642 56.287 -0.082 0.000 0.979 173 K CB 0.260 32.734 32.500 -0.042 0.000 0.773 173 K HN 1.034 nan 8.250 nan 0.000 0.474 174 V N -1.341 118.479 119.914 -0.155 0.000 3.046 174 V HA 0.515 4.635 4.120 0.000 0.000 0.316 174 V C -2.909 173.019 176.094 -0.277 0.000 1.104 174 V CA -3.210 58.998 62.300 -0.153 0.000 1.006 174 V CB 1.698 33.464 31.823 -0.095 0.000 1.058 174 V HN -0.213 nan 8.190 nan 0.000 0.440 175 P HA 0.289 nan 4.420 nan 0.000 0.264 175 P C -0.450 176.662 177.300 -0.314 0.000 1.193 175 P CA 0.684 63.591 63.100 -0.322 0.000 0.763 175 P CB 0.239 31.877 31.700 -0.104 0.000 0.810 176 T N 2.126 116.391 114.554 -0.482 0.000 2.893 176 T HA 0.361 4.711 4.350 0.000 0.000 0.293 176 T C -0.820 173.742 174.700 -0.230 0.000 1.027 176 T CA -0.630 61.200 62.100 -0.450 0.000 0.988 176 T CB 1.586 69.955 68.868 -0.832 0.000 1.043 176 T HN 0.329 nan 8.240 nan 0.000 0.461 177 E N 1.894 122.099 120.200 0.009 0.000 2.179 177 E HA 0.577 4.927 4.350 0.000 0.000 0.275 177 E C -1.567 175.214 176.600 0.302 0.000 0.945 177 E CA -0.755 55.782 56.400 0.228 0.000 0.792 177 E CB 0.938 30.886 29.700 0.413 0.000 1.125 177 E HN 0.467 nan 8.360 nan 0.000 0.397 178 F N 4.954 125.052 119.950 0.246 0.000 2.507 178 F HA 0.535 5.062 4.527 0.000 0.000 0.325 178 F C -1.726 174.196 175.800 0.205 0.000 1.116 178 F CA -0.693 57.450 58.000 0.239 0.000 0.930 178 F CB 1.306 40.526 39.000 0.366 0.000 1.146 178 F HN 0.193 nan 8.300 nan 0.000 0.447 179 V N 7.399 126.937 119.914 -0.626 0.000 2.525 179 V HA 0.469 4.589 4.120 0.000 0.000 0.299 179 V C -1.469 174.176 176.094 -0.748 0.000 1.034 179 V CA -0.819 61.111 62.300 -0.616 0.000 0.863 179 V CB 1.558 33.098 31.823 -0.471 0.000 0.999 179 V HN 0.678 nan 8.190 nan 0.000 0.423 180 F N 4.162 123.643 119.950 -0.781 0.000 2.585 180 F HA 0.744 5.271 4.527 0.000 0.000 0.319 180 F C 0.697 176.312 175.800 -0.308 0.000 1.165 180 F CA 0.686 58.396 58.000 -0.483 0.000 0.949 180 F CB 1.536 40.324 39.000 -0.354 0.000 1.218 180 F HN 0.926 nan 8.300 nan 0.000 0.453 181 G N 5.964 114.153 108.800 -1.018 0.000 2.634 181 G HA2 -0.448 3.512 3.960 0.000 0.000 0.309 181 G HA3 -0.448 3.512 3.960 0.000 0.000 0.309 181 G C 0.848 175.516 174.900 -0.386 0.000 1.265 181 G CA 0.606 45.252 45.100 -0.756 0.000 0.998 181 G HN 1.231 nan 8.290 nan 0.000 0.551 182 N N 0.892 119.475 118.700 -0.196 0.000 2.515 182 N HA 0.011 4.751 4.740 0.000 0.000 0.185 182 N C 1.075 176.557 175.510 -0.046 0.000 1.109 182 N CA 0.999 53.985 53.050 -0.106 0.000 0.903 182 N CB 0.108 38.578 38.487 -0.029 0.000 0.969 182 N HN 0.630 nan 8.380 nan 0.000 0.450 183 R N 0.975 121.487 120.500 0.019 0.000 2.254 183 R HA 0.406 4.746 4.340 0.000 0.000 0.318 183 R C -1.256 175.054 176.300 0.018 0.000 1.031 183 R CA -0.440 55.732 56.100 0.119 0.000 0.905 183 R CB 0.917 31.413 30.300 0.328 0.000 1.050 183 R HN -0.120 nan 8.270 nan 0.000 0.456 184 V N 4.538 124.501 119.914 0.081 0.000 2.604 184 V HA 0.488 4.608 4.120 0.000 0.000 0.305 184 V C -0.596 175.682 176.094 0.306 0.000 1.043 184 V CA -0.782 61.591 62.300 0.122 0.000 0.888 184 V CB 2.099 33.953 31.823 0.052 0.000 0.995 184 V HN 0.810 nan 8.190 nan 0.000 0.429 185 D N 2.904 123.550 120.400 0.410 0.000 2.671 185 D HA 0.534 5.174 4.640 0.000 0.000 0.232 185 D C -0.805 175.691 176.300 0.327 0.000 1.114 185 D CA -0.684 53.554 54.000 0.397 0.000 0.858 185 D CB 2.998 44.065 40.800 0.445 0.000 1.544 185 D HN 0.395 nan 8.370 nan 0.000 0.471 186 R N 1.482 122.101 120.500 0.199 0.000 2.480 186 R HA 0.544 4.884 4.340 0.000 0.000 0.306 186 R C -1.076 175.145 176.300 -0.132 0.000 0.958 186 R CA -0.860 55.287 56.100 0.078 0.000 0.861 186 R CB 1.757 32.113 30.300 0.094 0.000 1.171 186 R HN 0.529 nan 8.270 nan 0.000 0.445 187 Y N -1.692 118.288 120.300 -0.532 0.000 2.656 187 Y HA 0.681 5.231 4.550 0.000 0.000 0.334 187 Y C -1.777 173.695 175.900 -0.713 0.000 1.179 187 Y CA -1.247 56.317 58.100 -0.893 0.000 1.050 187 Y CB 1.232 38.541 38.460 -1.917 0.000 1.308 187 Y HN 0.163 nan 8.280 nan 0.000 0.456 188 V N 2.523 122.034 119.914 -0.671 0.000 2.638 188 V HA 0.762 4.882 4.120 0.000 0.000 0.306 188 V C 0.626 176.668 176.094 -0.086 0.000 1.052 188 V CA -0.129 61.832 62.300 -0.565 0.000 0.885 188 V CB 0.761 32.015 31.823 -0.949 0.000 0.999 188 V HN 1.615 nan 8.190 nan 0.000 0.424 189 G N 4.756 113.607 108.800 0.086 0.000 2.578 189 G HA2 -0.216 3.744 3.960 0.000 0.000 0.275 189 G HA3 -0.216 3.744 3.960 0.000 0.000 0.275 189 G C 0.581 175.782 174.900 0.501 0.000 1.271 189 G CA 0.359 45.602 45.100 0.238 0.000 0.941 189 G HN 0.996 nan 8.290 nan 0.000 0.564 190 S N 0.201 116.112 115.700 0.351 0.000 2.701 190 S HA 0.235 4.705 4.470 0.000 0.000 0.242 190 S C 0.095 174.770 174.600 0.125 0.000 1.025 190 S CA 0.384 58.753 58.200 0.281 0.000 1.016 190 S CB 0.450 63.737 63.200 0.144 0.000 0.977 190 S HN 0.731 nan 8.310 nan 0.000 0.546 191 D N 3.178 123.690 120.400 0.186 0.000 2.317 191 D HA 0.170 4.810 4.640 0.000 0.000 0.252 191 D C -1.638 174.748 176.300 0.143 0.000 1.174 191 D CA -1.919 52.151 54.000 0.118 0.000 0.866 191 D CB 1.605 42.489 40.800 0.139 0.000 1.127 191 D HN 0.017 nan 8.370 nan 0.000 0.467 192 P HA -0.165 nan 4.420 nan 0.000 0.220 192 P C 0.833 178.233 177.300 0.167 0.000 1.144 192 P CA 1.049 64.140 63.100 -0.016 0.000 0.800 192 P CB 0.304 31.952 31.700 -0.087 0.000 0.772 193 K N -0.539 119.961 120.400 0.166 0.000 2.360 193 K HA -0.088 4.232 4.320 0.000 0.000 0.201 193 K C 0.732 177.505 176.600 0.289 0.000 1.046 193 K CA 0.958 57.363 56.287 0.197 0.000 0.945 193 K CB -0.227 32.369 32.500 0.160 0.000 0.750 193 K HN 0.204 nan 8.250 nan 0.000 0.464 194 D N -1.174 119.432 120.400 0.344 0.000 2.395 194 D HA 0.023 4.663 4.640 0.000 0.000 0.213 194 D C -0.514 175.931 176.300 0.242 0.000 1.110 194 D CA 0.153 54.344 54.000 0.319 0.000 0.835 194 D CB 0.190 41.108 40.800 0.197 0.000 0.965 194 D HN 0.050 nan 8.370 nan 0.000 0.505 195 W N 1.484 122.842 121.300 0.098 0.000 2.433 195 W HA 0.284 4.944 4.660 0.000 0.000 0.315 195 W C 1.670 178.269 176.519 0.134 0.000 1.087 195 W CA -0.889 56.525 57.345 0.115 0.000 1.205 195 W CB 1.061 30.572 29.460 0.084 0.000 1.288 195 W HN -0.137 nan 8.180 nan 0.000 0.504 196 E N 0.849 121.214 120.200 0.275 0.000 2.118 196 E HA -0.256 4.094 4.350 0.000 0.000 0.195 196 E C -0.059 176.693 176.600 0.253 0.000 0.992 196 E CA 1.184 57.729 56.400 0.241 0.000 0.804 196 E CB 0.154 29.972 29.700 0.196 0.000 0.741 196 E HN 0.255 nan 8.360 nan 0.000 0.458 197 D N -0.488 120.102 120.400 0.317 0.000 2.472 197 D HA 0.102 4.742 4.640 0.000 0.000 0.234 197 D C -1.929 174.527 176.300 0.260 0.000 1.088 197 D CA -2.517 51.639 54.000 0.260 0.000 0.882 197 D CB 1.491 42.442 40.800 0.252 0.000 1.037 197 D HN -0.056 nan 8.370 nan 0.000 0.520 198 P HA -0.019 nan 4.420 nan 0.000 0.226 198 P C 0.061 177.358 177.300 -0.004 0.000 1.153 198 P CA 0.668 63.829 63.100 0.101 0.000 0.777 198 P CB 0.483 32.236 31.700 0.088 0.000 0.794 199 D N -0.569 119.848 120.400 0.027 0.000 2.358 199 D HA 0.029 4.669 4.640 0.000 0.000 0.224 199 D C 0.415 176.712 176.300 -0.006 0.000 1.123 199 D CA 0.111 54.106 54.000 -0.008 0.000 0.833 199 D CB 0.058 40.870 40.800 0.021 0.000 0.946 199 D HN 0.075 nan 8.370 nan 0.000 0.505 200 S N 2.490 118.189 115.700 -0.002 0.000 2.546 200 S HA 0.010 4.480 4.470 0.000 0.000 0.290 200 S C -1.031 173.551 174.600 -0.030 0.000 1.290 200 S CA -0.958 57.269 58.200 0.046 0.000 1.069 200 S CB 1.216 64.491 63.200 0.126 0.000 0.846 200 S HN 0.005 nan 8.310 nan 0.000 0.495 201 P HA -0.047 nan 4.420 nan 0.000 0.220 201 P C 1.309 178.634 177.300 0.041 0.000 1.148 201 P CA 1.085 64.248 63.100 0.104 0.000 0.803 201 P CB -0.297 31.564 31.700 0.269 0.000 0.782 202 T N 0.824 115.389 114.554 0.018 0.000 2.708 202 T HA -0.135 4.215 4.350 0.000 0.000 0.266 202 T C 1.778 176.183 174.700 -0.491 0.000 1.037 202 T CA 1.088 63.091 62.100 -0.162 0.000 1.146 202 T CB -0.846 67.983 68.868 -0.065 0.000 0.865 202 T HN 0.023 nan 8.240 nan 0.000 0.435 203 L N 1.210 122.014 121.223 -0.698 0.000 2.141 203 L HA 0.117 4.457 4.340 0.000 0.000 0.209 203 L C 2.285 178.844 176.870 -0.517 0.000 1.094 203 L CA 1.726 56.001 54.840 -0.942 0.000 0.763 203 L CB -0.531 40.611 42.059 -1.529 0.000 0.908 203 L HN 0.094 nan 8.230 nan 0.000 0.437 204 K N -1.332 118.856 120.400 -0.352 0.000 2.057 204 K HA -0.144 4.176 4.320 0.000 0.000 0.206 204 K C 2.078 178.533 176.600 -0.241 0.000 1.050 204 K CA 1.553 57.688 56.287 -0.253 0.000 0.935 204 K CB -0.235 32.156 32.500 -0.182 0.000 0.715 204 K HN 0.251 nan 8.250 nan 0.000 0.439 205 V N 1.456 121.240 119.914 -0.216 0.000 2.515 205 V HA -0.188 3.932 4.120 0.000 0.000 0.250 205 V C 2.100 178.080 176.094 -0.190 0.000 1.058 205 V CA 1.410 63.596 62.300 -0.189 0.000 1.064 205 V CB -0.227 31.570 31.823 -0.045 0.000 0.675 205 V HN 0.397 nan 8.190 nan 0.000 0.461 206 L N 1.155 122.252 121.223 -0.210 0.000 2.017 206 L HA 0.023 4.363 4.340 0.000 0.000 0.208 206 L C 2.363 179.130 176.870 -0.170 0.000 1.073 206 L CA 2.634 57.383 54.840 -0.152 0.000 0.745 206 L CB -1.391 40.528 42.059 -0.233 0.000 0.894 206 L HN 0.298 nan 8.230 nan 0.000 0.432 207 G N -1.203 107.481 108.800 -0.194 0.000 2.418 207 G HA2 -0.184 3.776 3.960 0.000 0.000 0.217 207 G HA3 -0.184 3.776 3.960 0.000 0.000 0.217 207 G C 1.546 176.357 174.900 -0.148 0.000 1.158 207 G CA 0.990 45.998 45.100 -0.153 0.000 0.771 207 G HN 0.331 nan 8.290 nan 0.000 0.545 208 V N 0.460 120.266 119.914 -0.179 0.000 2.287 208 V HA -0.185 3.935 4.120 0.000 0.000 0.248 208 V C 3.021 179.001 176.094 -0.190 0.000 1.053 208 V CA 1.698 63.893 62.300 -0.175 0.000 1.027 208 V CB -0.405 31.300 31.823 -0.196 0.000 0.646 208 V HN 0.257 nan 8.190 nan 0.000 0.447 209 V N -0.042 119.698 119.914 -0.290 0.000 2.379 209 V HA -0.162 3.958 4.120 0.000 0.000 0.245 209 V C 2.663 178.635 176.094 -0.204 0.000 1.044 209 V CA 1.709 63.777 62.300 -0.387 0.000 1.036 209 V CB -1.038 30.187 31.823 -0.996 0.000 0.664 209 V HN 0.542 nan 8.190 nan 0.000 0.453 210 A N 0.786 123.525 122.820 -0.135 0.000 1.883 210 A HA -0.143 4.177 4.320 0.000 0.000 0.217 210 A C 2.434 180.020 177.584 0.003 0.000 1.186 210 A CA 2.118 54.160 52.037 0.009 0.000 0.624 210 A CB -1.345 17.675 19.000 0.034 0.000 0.822 210 A HN 0.525 nan 8.150 nan 0.000 0.444 211 G N -0.781 107.995 108.800 -0.040 0.000 2.440 211 G HA2 -0.009 3.951 3.960 0.000 0.000 0.218 211 G HA3 -0.009 3.951 3.960 0.000 0.000 0.218 211 G C 1.498 176.380 174.900 -0.029 0.000 1.154 211 G CA 1.322 46.401 45.100 -0.036 0.000 0.767 211 G HN 0.751 nan 8.290 nan 0.000 0.552 212 G N 0.282 109.056 108.800 -0.044 0.000 2.403 212 G HA2 0.000 3.960 3.960 0.000 0.000 0.216 212 G HA3 0.000 3.960 3.960 0.000 0.000 0.216 212 G C 1.758 176.678 174.900 0.034 0.000 1.154 212 G CA 0.570 45.647 45.100 -0.039 0.000 0.784 212 G HN 0.424 nan 8.290 nan 0.000 0.538 213 L N -0.261 121.011 121.223 0.083 0.000 2.145 213 L HA 0.089 4.429 4.340 0.000 0.000 0.201 213 L C 2.739 179.687 176.870 0.131 0.000 1.075 213 L CA 0.322 55.258 54.840 0.161 0.000 0.773 213 L CB -0.076 42.103 42.059 0.201 0.000 0.936 213 L HN 0.089 nan 8.230 nan 0.000 0.451 214 V N -1.093 118.881 119.914 0.099 0.000 2.581 214 V HA 0.325 4.445 4.120 0.000 0.000 0.240 214 V C 1.320 177.445 176.094 0.051 0.000 1.054 214 V CA 0.699 63.048 62.300 0.080 0.000 1.076 214 V CB -0.661 31.214 31.823 0.087 0.000 0.748 214 V HN 0.579 nan 8.190 nan 0.000 0.474 215 G N 0.893 109.714 108.800 0.034 0.000 2.598 215 G HA2 -0.268 3.692 3.960 0.000 0.000 0.244 215 G HA3 -0.268 3.692 3.960 0.000 0.000 0.244 215 G C -0.426 174.481 174.900 0.012 0.000 1.302 215 G CA 0.173 45.281 45.100 0.014 0.000 0.903 215 G HN 0.568 nan 8.290 nan 0.000 0.575 216 N N 1.792 120.495 118.700 0.005 0.000 2.372 216 N HA 0.538 5.278 4.740 0.000 0.000 0.291 216 N C -1.574 173.939 175.510 0.004 0.000 1.024 216 N CA -1.427 51.624 53.050 0.003 0.000 0.873 216 N CB 2.649 41.133 38.487 -0.004 0.000 1.206 216 N HN 0.378 nan 8.380 nan 0.000 0.486 217 P HA -0.097 nan 4.420 nan 0.000 0.229 217 P C -0.491 176.810 177.300 0.001 0.000 1.160 217 P CA 1.193 64.296 63.100 0.005 0.000 0.777 217 P CB 0.658 32.363 31.700 0.009 0.000 0.814 218 Q N -1.124 118.676 119.800 -0.000 0.000 2.423 218 Q HA 0.531 4.871 4.340 0.000 0.000 0.278 218 Q C 0.152 176.149 176.000 -0.005 0.000 1.097 218 Q CA -0.524 55.278 55.803 -0.002 0.000 0.809 218 Q CB 2.568 31.305 28.738 -0.002 0.000 1.391 218 Q HN 0.098 nan 8.270 nan 0.000 0.428 219 G N 1.310 110.107 108.800 -0.006 0.000 2.632 219 G HA2 -0.279 3.681 3.960 0.000 0.000 0.224 219 G HA3 -0.279 3.681 3.960 0.000 0.000 0.224 219 G C -0.472 174.423 174.900 -0.009 0.000 1.341 219 G CA -0.180 44.915 45.100 -0.008 0.000 0.880 219 G HN 0.743 nan 8.290 nan 0.000 0.566 220 E N 0.420 120.614 120.200 -0.011 0.000 2.481 220 E HA 0.024 4.374 4.350 0.000 0.000 0.263 220 E C 0.152 176.744 176.600 -0.013 0.000 0.992 220 E CA -0.093 56.299 56.400 -0.013 0.000 0.938 220 E CB 0.085 29.775 29.700 -0.016 0.000 0.933 220 E HN 0.408 nan 8.360 nan 0.000 0.453 221 N N 3.479 122.172 118.700 -0.013 0.000 2.411 221 N HA 0.031 4.771 4.740 0.000 0.000 0.259 221 N C 0.440 175.938 175.510 -0.019 0.000 1.103 221 N CA 0.087 53.130 53.050 -0.012 0.000 0.954 221 N CB 1.623 40.105 38.487 -0.008 0.000 1.085 221 N HN 0.431 nan 8.380 nan 0.000 0.485 222 V N -0.607 119.294 119.914 -0.021 0.000 3.556 222 V HA 0.435 4.556 4.120 0.000 0.000 0.287 222 V C 0.813 176.881 176.094 -0.043 0.000 1.422 222 V CA -0.313 61.967 62.300 -0.034 0.000 1.038 222 V CB -0.126 31.676 31.823 -0.035 0.000 0.850 222 V HN 0.469 nan 8.190 nan 0.000 0.437 223 A N 0.805 123.608 122.820 -0.029 0.000 2.407 223 A HA 0.599 4.919 4.320 0.000 0.000 0.248 223 A C 1.014 178.541 177.584 -0.095 0.000 1.082 223 A CA 0.306 52.325 52.037 -0.030 0.000 0.785 223 A CB 0.849 19.864 19.000 0.025 0.000 1.020 223 A HN 0.512 nan 8.150 nan 0.000 0.489 224 M N 0.825 120.303 119.600 -0.203 0.000 2.447 224 M HA 0.115 4.595 4.480 0.000 0.000 0.264 224 M C -0.783 175.123 176.300 -0.656 0.000 1.095 224 M CA 1.376 56.383 55.300 -0.489 0.000 1.125 224 M CB 0.091 32.256 32.600 -0.725 0.000 1.389 224 M HN 0.662 nan 8.290 nan 0.000 0.459 225 Y N 1.096 121.385 120.300 -0.018 0.000 2.748 225 Y HA 0.472 5.022 4.550 0.000 0.000 0.359 225 Y C -2.384 173.639 175.900 0.205 0.000 1.030 225 Y CA -3.359 54.724 58.100 -0.029 0.000 1.169 225 Y CB -0.453 37.808 38.460 -0.332 0.000 1.127 225 Y HN 0.103 nan 8.280 nan 0.000 0.644 226 P HA 0.198 nan 4.420 nan 0.000 0.272 226 P C -0.272 177.263 177.300 0.391 0.000 1.240 226 P CA 0.033 63.282 63.100 0.248 0.000 0.791 226 P CB 1.681 33.466 31.700 0.143 0.000 0.978 227 I N 0.223 120.933 120.570 0.233 0.000 2.436 227 I HA 0.425 4.595 4.170 0.000 0.000 0.289 227 I C 0.473 176.602 176.117 0.020 0.000 1.010 227 I CA -0.812 60.621 61.300 0.220 0.000 1.098 227 I CB 1.467 39.538 38.000 0.117 0.000 1.266 227 I HN 0.510 nan 8.210 nan 0.000 0.434 228 A N 5.349 128.111 122.820 -0.097 0.000 2.832 228 A HA -0.262 4.058 4.320 0.000 0.000 0.280 228 A C 0.889 178.310 177.584 -0.272 0.000 1.464 228 A CA 1.106 52.784 52.037 -0.599 0.000 0.804 228 A CB -1.904 16.453 19.000 -1.073 0.000 1.020 228 A HN 0.989 nan 8.150 nan 0.000 0.563 229 N N -4.054 114.609 118.700 -0.061 0.000 2.800 229 N HA -0.220 4.520 4.740 0.000 0.000 0.250 229 N C 0.162 175.664 175.510 -0.015 0.000 1.078 229 N CA 1.714 54.758 53.050 -0.010 0.000 0.804 229 N CB -2.231 36.247 38.487 -0.014 0.000 1.135 229 N HN 2.063 nan 8.380 nan 0.000 0.565 230 V N -3.921 115.981 119.914 -0.020 0.000 3.141 230 V HA 0.653 4.773 4.120 0.000 0.000 0.312 230 V C -0.063 176.041 176.094 0.016 0.000 1.157 230 V CA -1.054 61.238 62.300 -0.013 0.000 1.041 230 V CB 2.081 33.882 31.823 -0.038 0.000 1.071 230 V HN -0.144 nan 8.190 nan 0.000 0.441 231 D N 2.232 122.639 120.400 0.012 0.000 2.443 231 D HA 0.263 4.903 4.640 0.000 0.000 0.239 231 D C -1.739 174.575 176.300 0.024 0.000 1.136 231 D CA -1.417 52.598 54.000 0.025 0.000 0.879 231 D CB 1.493 42.301 40.800 0.015 0.000 1.195 231 D HN 0.416 nan 8.370 nan 0.000 0.443 232 P HA -0.208 nan 4.420 nan 0.000 0.216 232 P C 1.023 178.330 177.300 0.012 0.000 1.150 232 P CA 1.781 64.892 63.100 0.018 0.000 0.843 232 P CB 0.173 31.890 31.700 0.029 0.000 0.787 233 A N -0.092 122.741 122.820 0.022 0.000 1.948 233 A HA -0.275 4.045 4.320 0.000 0.000 0.220 233 A C 2.098 179.689 177.584 0.012 0.000 1.177 233 A CA 2.011 54.060 52.037 0.020 0.000 0.636 233 A CB -1.074 17.939 19.000 0.021 0.000 0.815 233 A HN 0.197 nan 8.150 nan 0.000 0.449 234 K N -0.627 119.775 120.400 0.003 0.000 2.097 234 K HA -0.027 4.293 4.320 0.000 0.000 0.205 234 K C 1.764 178.356 176.600 -0.014 0.000 1.050 234 K CA 1.179 57.463 56.287 -0.005 0.000 0.938 234 K CB -0.238 32.254 32.500 -0.012 0.000 0.718 234 K HN 0.400 nan 8.250 nan 0.000 0.442 235 I N 1.334 121.891 120.570 -0.022 0.000 2.226 235 I HA -0.204 3.966 4.170 0.000 0.000 0.245 235 I C 2.486 178.580 176.117 -0.037 0.000 1.100 235 I CA 1.200 62.476 61.300 -0.040 0.000 1.374 235 I CB -1.410 36.557 38.000 -0.055 0.000 1.057 235 I HN 0.085 nan 8.210 nan 0.000 0.413 236 A N 1.032 123.850 122.820 -0.004 0.000 1.940 236 A HA -0.142 4.178 4.320 0.000 0.000 0.219 236 A C 2.565 180.189 177.584 0.067 0.000 1.176 236 A CA 2.032 54.104 52.037 0.059 0.000 0.631 236 A CB -0.700 18.348 19.000 0.080 0.000 0.814 236 A HN 0.427 nan 8.150 nan 0.000 0.446 237 A N -0.273 122.567 122.820 0.033 0.000 1.930 237 A HA -0.018 4.302 4.320 0.000 0.000 0.217 237 A C 2.094 179.685 177.584 0.012 0.000 1.175 237 A CA 1.400 53.455 52.037 0.029 0.000 0.627 237 A CB -0.523 18.487 19.000 0.016 0.000 0.815 237 A HN 0.504 nan 8.150 nan 0.000 0.443 238 I N -0.397 120.167 120.570 -0.011 0.000 2.202 238 I HA -0.227 3.943 4.170 0.000 0.000 0.242 238 I C 2.208 178.287 176.117 -0.062 0.000 1.091 238 I CA 1.064 62.346 61.300 -0.029 0.000 1.368 238 I CB -0.291 37.690 38.000 -0.032 0.000 1.058 238 I HN 0.255 nan 8.210 nan 0.000 0.410 239 L N 0.375 121.531 121.223 -0.112 0.000 2.275 239 L HA -0.167 4.173 4.340 0.000 0.000 0.215 239 L C 1.631 178.360 176.870 -0.236 0.000 1.119 239 L CA 0.952 55.631 54.840 -0.268 0.000 0.790 239 L CB -0.517 41.245 42.059 -0.494 0.000 0.919 239 L HN 0.296 nan 8.230 nan 0.000 0.443 240 N N -0.027 118.672 118.700 -0.001 0.000 2.230 240 N HA 0.139 4.879 4.740 0.000 0.000 0.202 240 N C 0.255 175.798 175.510 0.055 0.000 1.119 240 N CA 0.022 53.142 53.050 0.116 0.000 0.851 240 N CB 0.308 38.931 38.487 0.227 0.000 0.990 240 N HN 0.156 nan 8.380 nan 0.000 0.497 241 A N -0.354 122.474 122.820 0.013 0.000 2.351 241 A HA 0.582 4.902 4.320 0.000 0.000 0.257 241 A C 1.396 178.987 177.584 0.011 0.000 1.087 241 A CA 0.179 52.223 52.037 0.012 0.000 0.798 241 A CB 0.371 19.371 19.000 0.000 0.000 1.033 241 A HN 0.280 nan 8.150 nan 0.000 0.488 242 A N 1.057 123.885 122.820 0.013 0.000 1.897 242 A HA 0.181 4.501 4.320 0.000 0.000 0.215 242 A C 1.344 178.931 177.584 0.005 0.000 1.181 242 A CA 1.947 53.991 52.037 0.012 0.000 0.620 242 A CB -0.539 18.468 19.000 0.012 0.000 0.821 242 A HN 1.617 nan 8.150 nan 0.000 0.443 243 T N -0.924 113.632 114.554 0.003 0.000 3.141 243 T HA 0.569 4.919 4.350 0.000 0.000 0.377 243 T C -2.843 171.857 174.700 0.001 0.000 1.258 243 T CA -1.761 60.340 62.100 0.001 0.000 1.263 243 T CB 1.271 70.141 68.868 0.003 0.000 1.066 243 T HN 0.108 nan 8.240 nan 0.000 0.546 244 P HA 0.375 nan 4.420 nan 0.000 0.273 244 P C -2.568 174.734 177.300 0.003 0.000 1.250 244 P CA -1.405 61.693 63.100 -0.003 0.000 0.793 244 P CB -0.758 30.935 31.700 -0.011 0.000 1.011 245 P HA -0.084 nan 4.420 nan 0.000 0.255 245 P C 0.681 177.988 177.300 0.011 0.000 1.151 245 P CA 0.519 63.627 63.100 0.013 0.000 0.767 245 P CB -0.230 31.483 31.700 0.022 0.000 0.736 246 A N 4.116 126.943 122.820 0.010 0.000 1.917 246 A HA -0.254 4.066 4.320 0.000 0.000 0.219 246 A C 2.035 179.631 177.584 0.019 0.000 1.182 246 A CA 1.993 54.036 52.037 0.011 0.000 0.633 246 A CB -0.962 18.043 19.000 0.009 0.000 0.819 246 A HN 0.634 nan 8.150 nan 0.000 0.448 247 D N 0.041 120.456 120.400 0.024 0.000 2.178 247 D HA -0.051 4.589 4.640 0.000 0.000 0.202 247 D C 1.995 178.324 176.300 0.049 0.000 0.974 247 D CA 1.270 55.290 54.000 0.033 0.000 0.841 247 D CB -0.137 40.682 40.800 0.032 0.000 0.953 247 D HN 0.344 nan 8.370 nan 0.000 0.478 248 A N 1.090 123.939 122.820 0.049 0.000 1.902 248 A HA -0.090 4.230 4.320 0.000 0.000 0.217 248 A C 2.620 180.242 177.584 0.064 0.000 1.181 248 A CA 0.960 53.038 52.037 0.068 0.000 0.623 248 A CB -0.752 18.272 19.000 0.040 0.000 0.818 248 A HN 0.337 nan 8.150 nan 0.000 0.443 249 L N -0.752 120.490 121.223 0.031 0.000 2.056 249 L HA -0.166 4.174 4.340 0.000 0.000 0.207 249 L C 2.749 179.641 176.870 0.036 0.000 1.078 249 L CA 1.600 56.450 54.840 0.017 0.000 0.749 249 L CB -0.568 41.487 42.059 -0.005 0.000 0.901 249 L HN 0.492 nan 8.230 nan 0.000 0.433 250 E N 0.646 120.868 120.200 0.036 0.000 2.077 250 E HA -0.205 4.145 4.350 0.000 0.000 0.193 250 E C 2.324 178.946 176.600 0.037 0.000 0.989 250 E CA 1.061 57.481 56.400 0.034 0.000 0.800 250 E CB 0.118 29.832 29.700 0.023 0.000 0.746 250 E HN 0.320 nan 8.360 nan 0.000 0.452 251 R N 0.324 120.854 120.500 0.050 0.000 2.096 251 R HA -0.070 4.270 4.340 0.000 0.000 0.235 251 R C 2.585 178.934 176.300 0.083 0.000 1.127 251 R CA 0.823 56.936 56.100 0.021 0.000 0.968 251 R CB -0.766 29.595 30.300 0.101 0.000 0.861 251 R HN 0.339 nan 8.270 nan 0.000 0.440 252 I N 0.934 121.623 120.570 0.199 0.000 2.163 252 I HA -0.321 3.849 4.170 0.000 0.000 0.243 252 I C 2.723 178.951 176.117 0.185 0.000 1.085 252 I CA 1.417 62.858 61.300 0.234 0.000 1.347 252 I CB -0.323 37.752 38.000 0.126 0.000 1.044 252 I HN 0.092 nan 8.210 nan 0.000 0.408 253 Q N 0.806 120.674 119.800 0.114 0.000 2.050 253 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 253 Q C 2.212 178.292 176.000 0.134 0.000 0.980 253 Q CA 2.941 58.818 55.803 0.124 0.000 0.840 253 Q CB -0.363 28.429 28.738 0.091 0.000 0.898 253 Q HN 0.620 nan 8.270 nan 0.000 0.424 254 T N -3.251 111.346 114.554 0.071 0.000 3.040 254 T HA 0.175 4.525 4.350 0.000 0.000 0.252 254 T C 1.666 176.361 174.700 -0.008 0.000 1.064 254 T CA 0.730 62.852 62.100 0.038 0.000 1.110 254 T CB 0.109 68.986 68.868 0.016 0.000 0.921 254 T HN 0.251 nan 8.240 nan 0.000 0.480 255 K N -1.044 119.307 120.400 -0.081 0.000 2.324 255 K HA 0.219 4.539 4.320 0.000 0.000 0.222 255 K C 1.742 178.277 176.600 -0.108 0.000 1.107 255 K CA -0.075 56.082 56.287 -0.217 0.000 0.873 255 K CB 0.096 32.289 32.500 -0.512 0.000 1.270 255 K HN 0.175 nan 8.250 nan 0.000 0.456 256 Y N 0.051 120.429 120.300 0.129 0.000 2.243 256 Y HA -0.122 4.428 4.550 0.000 0.000 0.293 256 Y C 2.177 178.228 175.900 0.251 0.000 1.124 256 Y CA 0.947 59.144 58.100 0.162 0.000 1.159 256 Y CB -0.521 38.031 38.460 0.153 0.000 1.008 256 Y HN 0.353 nan 8.280 nan 0.000 0.527 257 W N 2.027 123.436 121.300 0.180 0.000 2.379 257 W HA -0.110 4.550 4.660 0.000 0.000 0.307 257 W C -1.110 175.465 176.519 0.092 0.000 1.200 257 W CA 1.122 58.531 57.345 0.106 0.000 1.297 257 W CB -1.165 28.307 29.460 0.020 0.000 1.140 257 W HN 0.095 nan 8.180 nan 0.000 0.507 258 P HA -0.208 nan 4.420 nan 0.000 0.216 258 P C 1.083 178.325 177.300 -0.095 0.000 1.150 258 P CA 2.375 65.433 63.100 -0.069 0.000 0.843 258 P CB -0.300 31.411 31.700 0.019 0.000 0.787 259 E N -1.894 118.305 120.200 -0.001 0.000 2.106 259 E HA -0.176 4.174 4.350 0.000 0.000 0.192 259 E C 1.792 178.351 176.600 -0.068 0.000 0.984 259 E CA 0.677 57.067 56.400 -0.016 0.000 0.806 259 E CB -0.590 29.153 29.700 0.072 0.000 0.750 259 E HN 0.230 nan 8.360 nan 0.000 0.458 260 F N 1.432 121.289 119.950 -0.154 0.000 2.095 260 F HA -0.217 4.310 4.527 0.000 0.000 0.298 260 F C 1.993 177.565 175.800 -0.380 0.000 1.104 260 F CA 1.387 59.272 58.000 -0.193 0.000 1.232 260 F CB -0.053 38.837 39.000 -0.183 0.000 0.987 260 F HN -0.089 nan 8.300 nan 0.000 0.475 261 I N 0.261 120.582 120.570 -0.415 0.000 2.127 261 I HA -0.364 3.806 4.170 0.000 0.000 0.241 261 I C 2.724 178.626 176.117 -0.359 0.000 1.075 261 I CA 1.371 62.367 61.300 -0.507 0.000 1.334 261 I CB -1.036 36.524 38.000 -0.735 0.000 1.040 261 I HN 0.234 nan 8.210 nan 0.000 0.405 262 A N 0.074 122.724 122.820 -0.282 0.000 1.940 262 A HA -0.281 4.039 4.320 0.000 0.000 0.219 262 A C 2.261 179.668 177.584 -0.294 0.000 1.176 262 A CA 1.842 53.757 52.037 -0.203 0.000 0.631 262 A CB -0.624 18.292 19.000 -0.140 0.000 0.814 262 A HN 0.534 nan 8.150 nan 0.000 0.446 263 Q N -2.414 117.086 119.800 -0.500 0.000 2.096 263 Q HA -0.086 4.254 4.340 0.000 0.000 0.197 263 Q C 0.947 176.467 176.000 -0.800 0.000 0.964 263 Q CA 1.457 56.795 55.803 -0.775 0.000 0.838 263 Q CB -0.046 27.896 28.738 -1.326 0.000 0.906 263 Q HN 0.860 nan 8.270 nan 0.000 0.444 264 Y N -1.279 118.766 120.300 -0.426 0.000 2.500 264 Y HA 0.133 4.683 4.550 0.000 0.000 0.246 264 Y C 0.963 176.677 175.900 -0.310 0.000 1.146 264 Y CA -0.545 57.281 58.100 -0.457 0.000 1.230 264 Y CB 0.334 38.302 38.460 -0.820 0.000 1.214 264 Y HN 0.038 nan 8.280 nan 0.000 0.526 265 D N 0.244 120.557 120.400 -0.146 0.000 2.263 265 D HA -0.087 4.553 4.640 0.000 0.000 0.208 265 D C 2.228 178.518 176.300 -0.017 0.000 0.971 265 D CA 1.456 55.410 54.000 -0.076 0.000 0.867 265 D CB -0.096 40.657 40.800 -0.078 0.000 0.929 265 D HN 0.363 nan 8.370 nan 0.000 0.492 266 G N -0.630 108.153 108.800 -0.028 0.000 3.284 266 G HA2 0.210 4.170 3.960 0.000 0.000 0.236 266 G HA3 0.210 4.170 3.960 0.000 0.000 0.236 266 G C -0.088 174.803 174.900 -0.015 0.000 1.158 266 G CA -0.280 44.813 45.100 -0.011 0.000 0.774 266 G HN 0.186 nan 8.290 nan 0.000 0.545 267 L N 2.319 123.527 121.223 -0.025 0.000 2.325 267 L HA 0.534 4.874 4.340 0.000 0.000 0.281 267 L C 0.621 177.454 176.870 -0.061 0.000 1.004 267 L CA -0.566 54.249 54.840 -0.041 0.000 0.823 267 L CB 1.546 43.569 42.059 -0.059 0.000 1.236 267 L HN 0.080 nan 8.230 nan 0.000 0.415 268 T N 1.418 115.943 114.554 -0.049 0.000 2.868 268 T HA 0.174 4.524 4.350 0.000 0.000 0.292 268 T C 1.158 175.810 174.700 -0.080 0.000 1.028 268 T CA -0.395 61.680 62.100 -0.041 0.000 1.059 268 T CB 0.756 69.615 68.868 -0.016 0.000 0.991 268 T HN 0.621 nan 8.240 nan 0.000 0.531 269 L N 2.273 123.471 121.223 -0.041 0.000 2.042 269 L HA 0.153 4.493 4.340 0.000 0.000 0.210 269 L C 2.523 179.249 176.870 -0.240 0.000 1.076 269 L CA 2.508 57.322 54.840 -0.043 0.000 0.749 269 L CB -1.477 40.662 42.059 0.134 0.000 0.893 269 L HN 0.963 nan 8.230 nan 0.000 0.432 270 G N -1.157 107.415 108.800 -0.381 0.000 2.422 270 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 270 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 270 G C 1.592 176.300 174.900 -0.320 0.000 1.146 270 G CA 0.833 45.483 45.100 -0.749 0.000 0.769 270 G HN 0.664 nan 8.290 nan 0.000 0.547 271 A N 1.159 123.889 122.820 -0.149 0.000 1.898 271 A HA 0.299 4.619 4.320 0.000 0.000 0.216 271 A C 2.820 180.371 177.584 -0.055 0.000 1.181 271 A CA 2.183 54.179 52.037 -0.068 0.000 0.620 271 A CB -0.780 18.199 19.000 -0.036 0.000 0.819 271 A HN 0.747 nan 8.150 nan 0.000 0.442 272 A N -0.477 122.286 122.820 -0.095 0.000 1.877 272 A HA -0.016 4.304 4.320 0.000 0.000 0.216 272 A C 2.227 179.831 177.584 0.034 0.000 1.186 272 A CA 1.819 53.832 52.037 -0.040 0.000 0.620 272 A CB -1.021 17.826 19.000 -0.255 0.000 0.822 272 A HN 0.402 nan 8.150 nan 0.000 0.443 273 V N 0.075 119.953 119.914 -0.060 0.000 2.332 273 V HA -0.282 3.838 4.120 0.000 0.000 0.248 273 V C 2.670 178.753 176.094 -0.019 0.000 1.055 273 V CA 2.411 64.677 62.300 -0.056 0.000 1.038 273 V CB -0.819 30.959 31.823 -0.075 0.000 0.651 273 V HN 0.678 nan 8.190 nan 0.000 0.450 274 R N -0.099 120.390 120.500 -0.018 0.000 2.092 274 R HA -0.166 4.174 4.340 0.000 0.000 0.231 274 R C 2.284 178.604 176.300 0.033 0.000 1.119 274 R CA 1.659 57.772 56.100 0.022 0.000 0.970 274 R CB -0.161 30.152 30.300 0.021 0.000 0.864 274 R HN 0.638 nan 8.270 nan 0.000 0.440 275 E N 0.280 120.509 120.200 0.049 0.000 2.077 275 E HA -0.213 4.137 4.350 0.000 0.000 0.193 275 E C 2.048 178.664 176.600 0.027 0.000 0.989 275 E CA 1.569 58.004 56.400 0.059 0.000 0.800 275 E CB -0.139 29.632 29.700 0.117 0.000 0.746 275 E HN 0.411 nan 8.360 nan 0.000 0.452 276 I N 0.713 121.297 120.570 0.024 0.000 2.179 276 I HA -0.253 3.917 4.170 0.000 0.000 0.242 276 I C 2.397 178.497 176.117 -0.028 0.000 1.088 276 I CA 0.831 62.115 61.300 -0.026 0.000 1.357 276 I CB -0.197 37.783 38.000 -0.033 0.000 1.051 276 I HN -0.024 nan 8.210 nan 0.000 0.409 277 V N 0.400 120.305 119.914 -0.013 0.000 2.407 277 V HA -0.273 3.847 4.120 0.000 0.000 0.248 277 V C 2.484 178.616 176.094 0.064 0.000 1.055 277 V CA 2.365 64.669 62.300 0.008 0.000 1.049 277 V CB -0.931 30.918 31.823 0.044 0.000 0.662 277 V HN 0.479 nan 8.190 nan 0.000 0.455 278 T N 0.043 114.633 114.554 0.059 0.000 2.708 278 T HA -0.178 4.172 4.350 0.000 0.000 0.266 278 T C 1.965 176.727 174.700 0.103 0.000 1.037 278 T CA 1.764 63.916 62.100 0.086 0.000 1.146 278 T CB -0.268 68.632 68.868 0.054 0.000 0.865 278 T HN 0.287 nan 8.240 nan 0.000 0.435 279 V N 1.659 121.600 119.914 0.044 0.000 2.343 279 V HA -0.172 3.948 4.120 0.000 0.000 0.247 279 V C 2.860 178.966 176.094 0.020 0.000 1.051 279 V CA 1.734 64.046 62.300 0.021 0.000 1.036 279 V CB -1.159 30.650 31.823 -0.024 0.000 0.654 279 V HN 0.540 nan 8.190 nan 0.000 0.451 280 A N -0.966 121.860 122.820 0.010 0.000 1.969 280 A HA -0.194 4.126 4.320 0.000 0.000 0.218 280 A C 2.090 179.679 177.584 0.008 0.000 1.169 280 A CA 1.744 53.767 52.037 -0.023 0.000 0.635 280 A CB -0.626 18.334 19.000 -0.067 0.000 0.810 280 A HN 0.524 nan 8.150 nan 0.000 0.445 281 F N 0.750 120.667 119.950 -0.055 0.000 2.206 281 F HA -0.064 4.463 4.527 0.000 0.000 0.298 281 F C 2.180 177.975 175.800 -0.008 0.000 1.090 281 F CA 1.880 59.868 58.000 -0.020 0.000 1.323 281 F CB -0.078 38.945 39.000 0.039 0.000 1.028 281 F HN 0.327 nan 8.300 nan 0.000 0.492 282 E N 0.001 120.283 120.200 0.137 0.000 2.150 282 E HA -0.252 4.098 4.350 0.000 0.000 0.193 282 E C 1.961 178.532 176.600 -0.049 0.000 0.985 282 E CA 1.183 57.613 56.400 0.050 0.000 0.814 282 E CB -0.177 29.568 29.700 0.076 0.000 0.752 282 E HN 0.339 nan 8.360 nan 0.000 0.466 283 K N -0.236 120.128 120.400 -0.059 0.000 2.366 283 K HA -0.061 4.259 4.320 0.000 0.000 0.198 283 K C 0.946 177.475 176.600 -0.118 0.000 1.044 283 K CA 0.946 57.188 56.287 -0.075 0.000 0.973 283 K CB 0.225 32.688 32.500 -0.063 0.000 0.767 283 K HN 0.214 nan 8.250 nan 0.000 0.475 284 G N -0.062 108.626 108.800 -0.186 0.000 2.131 284 G HA2 -0.213 3.747 3.960 0.000 0.000 0.223 284 G HA3 -0.213 3.747 3.960 0.000 0.000 0.223 284 G C 0.584 175.375 174.900 -0.181 0.000 0.990 284 G CA 0.570 45.535 45.100 -0.226 0.000 0.671 284 G HN 0.364 nan 8.290 nan 0.000 0.521 285 T N 0.072 114.532 114.554 -0.158 0.000 2.985 285 T HA 0.285 4.635 4.350 0.000 0.000 0.266 285 T C 1.069 175.673 174.700 -0.160 0.000 1.076 285 T CA 0.891 62.908 62.100 -0.138 0.000 1.135 285 T CB 0.179 68.975 68.868 -0.121 0.000 0.890 285 T HN 0.385 nan 8.240 nan 0.000 0.480 286 L N 2.561 123.673 121.223 -0.185 0.000 2.346 286 L HA 0.460 4.800 4.340 0.000 0.000 0.276 286 L C -2.439 174.363 176.870 -0.112 0.000 1.006 286 L CA -2.480 52.253 54.840 -0.179 0.000 0.817 286 L CB 2.031 43.889 42.059 -0.334 0.000 1.272 286 L HN -0.114 nan 8.230 nan 0.000 0.421 287 P HA 0.304 nan 4.420 nan 0.000 0.281 287 P C -2.724 174.761 177.300 0.308 0.000 1.264 287 P CA -2.109 61.023 63.100 0.054 0.000 0.824 287 P CB 0.081 31.822 31.700 0.068 0.000 1.092 288 P HA -0.054 nan 4.420 nan 0.000 0.264 288 P C -0.065 177.332 177.300 0.161 0.000 1.183 288 P CA 0.379 63.686 63.100 0.345 0.000 0.763 288 P CB 0.142 31.962 31.700 0.201 0.000 0.807 289 V N 4.080 124.003 119.914 0.015 0.000 2.529 289 V HA -0.031 4.089 4.120 0.000 0.000 0.292 289 V C 1.077 177.068 176.094 -0.172 0.000 1.028 289 V CA 0.948 63.105 62.300 -0.240 0.000 1.074 289 V CB -0.466 30.972 31.823 -0.641 0.000 0.958 289 V HN 0.707 nan 8.190 nan 0.000 0.481 290 D N 3.425 123.741 120.400 -0.139 0.000 2.946 290 D HA -0.205 4.435 4.640 0.000 0.000 0.202 290 D C 1.376 177.653 176.300 -0.039 0.000 1.068 290 D CA 2.142 56.089 54.000 -0.090 0.000 1.011 290 D CB -1.279 39.452 40.800 -0.115 0.000 1.105 290 D HN 1.358 nan 8.370 nan 0.000 0.425 291 G N -1.314 107.477 108.800 -0.016 0.000 2.184 291 G HA2 -0.324 3.636 3.960 0.000 0.000 0.264 291 G HA3 -0.324 3.636 3.960 0.000 0.000 0.264 291 G C 0.867 175.771 174.900 0.008 0.000 0.975 291 G CA 0.959 46.064 45.100 0.007 0.000 0.642 291 G HN 1.074 nan 8.290 nan 0.000 0.536 292 V N -0.870 119.038 119.914 -0.010 0.000 3.359 292 V HA 0.478 4.598 4.120 0.000 0.000 0.270 292 V C 0.801 176.887 176.094 -0.013 0.000 1.583 292 V CA 0.319 62.614 62.300 -0.009 0.000 1.019 292 V CB 0.117 31.930 31.823 -0.017 0.000 0.831 292 V HN 0.204 nan 8.190 nan 0.000 0.426 293 L N 2.587 123.787 121.223 -0.038 0.000 2.461 293 L HA 0.299 4.639 4.340 0.000 0.000 0.272 293 L C 0.642 177.512 176.870 0.000 0.000 1.197 293 L CA 0.438 55.254 54.840 -0.040 0.000 0.836 293 L CB 0.292 42.292 42.059 -0.099 0.000 1.105 293 L HN 0.527 nan 8.230 nan 0.000 0.477 294 D N 1.420 121.819 120.400 -0.002 0.000 2.380 294 D HA 0.039 4.679 4.640 0.000 0.000 0.254 294 D C 1.085 177.378 176.300 -0.012 0.000 1.288 294 D CA -0.333 53.678 54.000 0.018 0.000 1.008 294 D CB 0.329 41.136 40.800 0.012 0.000 1.099 294 D HN 0.154 nan 8.370 nan 0.000 0.537 295 V N -0.039 119.877 119.914 0.004 0.000 2.261 295 V HA -0.230 3.891 4.120 0.000 0.000 0.246 295 V C 2.096 178.051 176.094 -0.232 0.000 1.047 295 V CA 2.485 64.731 62.300 -0.090 0.000 1.015 295 V CB -0.928 30.934 31.823 0.066 0.000 0.642 295 V HN 0.705 nan 8.190 nan 0.000 0.446 296 D N -0.729 119.608 120.400 -0.103 0.000 2.149 296 D HA -0.146 4.494 4.640 0.000 0.000 0.201 296 D C 2.202 178.455 176.300 -0.079 0.000 0.972 296 D CA 0.749 54.696 54.000 -0.088 0.000 0.835 296 D CB 0.026 40.808 40.800 -0.031 0.000 0.966 296 D HN 0.316 nan 8.370 nan 0.000 0.476 297 E N -0.012 120.151 120.200 -0.062 0.000 2.110 297 E HA -0.109 4.241 4.350 0.000 0.000 0.193 297 E C 2.219 178.784 176.600 -0.060 0.000 0.988 297 E CA 0.598 56.978 56.400 -0.032 0.000 0.804 297 E CB -0.222 29.466 29.700 -0.020 0.000 0.745 297 E HN 0.226 nan 8.360 nan 0.000 0.458 298 S N 0.915 116.516 115.700 -0.165 0.000 2.345 298 S HA -0.084 4.386 4.470 0.000 0.000 0.220 298 S C 2.165 176.657 174.600 -0.181 0.000 1.031 298 S CA 0.737 58.793 58.200 -0.240 0.000 0.996 298 S CB -0.212 62.812 63.200 -0.293 0.000 0.882 298 S HN 0.193 nan 8.310 nan 0.000 0.445 299 I N 1.452 121.853 120.570 -0.282 0.000 2.163 299 I HA -0.215 3.955 4.170 0.000 0.000 0.243 299 I C 2.449 178.608 176.117 0.070 0.000 1.085 299 I CA 1.058 62.310 61.300 -0.080 0.000 1.347 299 I CB -0.432 37.474 38.000 -0.156 0.000 1.044 299 I HN 0.215 nan 8.210 nan 0.000 0.408 300 S N -0.256 115.467 115.700 0.039 0.000 2.368 300 S HA -0.249 4.221 4.470 0.000 0.000 0.225 300 S C 1.940 176.623 174.600 0.138 0.000 1.030 300 S CA 1.343 59.598 58.200 0.092 0.000 0.999 300 S CB -0.538 62.706 63.200 0.074 0.000 0.844 300 S HN 0.446 nan 8.310 nan 0.000 0.459 301 Y N 1.001 121.296 120.300 -0.007 0.000 2.128 301 Y HA -0.293 4.257 4.550 0.000 0.000 0.284 301 Y C 2.085 177.972 175.900 -0.022 0.000 1.154 301 Y CA 1.729 59.828 58.100 -0.001 0.000 1.149 301 Y CB -0.419 37.962 38.460 -0.132 0.000 0.976 301 Y HN 0.207 nan 8.280 nan 0.000 0.505 302 Y N -1.045 119.413 120.300 0.263 0.000 2.242 302 Y HA -0.219 4.332 4.550 0.000 0.000 0.291 302 Y C 2.550 178.498 175.900 0.080 0.000 1.137 302 Y CA 1.412 59.608 58.100 0.160 0.000 1.181 302 Y CB -1.047 37.504 38.460 0.151 0.000 0.989 302 Y HN -0.016 nan 8.280 nan 0.000 0.527 303 V N 0.014 120.077 119.914 0.247 0.000 2.343 303 V HA -0.241 3.880 4.120 0.000 0.000 0.247 303 V C 2.182 178.409 176.094 0.222 0.000 1.051 303 V CA 2.013 64.462 62.300 0.248 0.000 1.036 303 V CB -0.361 31.586 31.823 0.207 0.000 0.654 303 V HN 0.365 nan 8.190 nan 0.000 0.451 304 E N -0.418 119.800 120.200 0.030 0.000 2.158 304 E HA -0.112 4.238 4.350 0.000 0.000 0.191 304 E C 2.060 178.198 176.600 -0.770 0.000 0.982 304 E CA 0.701 56.999 56.400 -0.169 0.000 0.823 304 E CB -0.264 29.438 29.700 0.002 0.000 0.766 304 E HN 0.486 nan 8.360 nan 0.000 0.468 305 L N 0.531 121.162 121.223 -0.986 0.000 1.989 305 L HA -0.168 4.172 4.340 0.000 0.000 0.211 305 L C 2.307 179.011 176.870 -0.275 0.000 1.071 305 L CA 1.569 55.834 54.840 -0.959 0.000 0.749 305 L CB -0.703 41.129 42.059 -0.378 0.000 0.890 305 L HN 0.033 nan 8.230 nan 0.000 0.431 306 F N 0.571 120.443 119.950 -0.130 0.000 2.126 306 F HA -0.091 4.436 4.527 0.000 0.000 0.299 306 F C 2.173 177.983 175.800 0.017 0.000 1.096 306 F CA 1.687 59.664 58.000 -0.037 0.000 1.255 306 F CB -1.059 37.936 39.000 -0.008 0.000 0.997 306 F HN 0.153 nan 8.300 nan 0.000 0.479 307 G N -0.162 108.567 108.800 -0.119 0.000 2.469 307 G HA2 -0.358 3.602 3.960 0.000 0.000 0.219 307 G HA3 -0.358 3.602 3.960 0.000 0.000 0.219 307 G C 1.722 176.462 174.900 -0.267 0.000 1.150 307 G CA 1.020 45.952 45.100 -0.280 0.000 0.763 307 G HN 0.303 nan 8.290 nan 0.000 0.561 308 R N -0.417 119.994 120.500 -0.148 0.000 2.153 308 R HA 0.158 4.498 4.340 0.000 0.000 0.218 308 R C 1.991 178.404 176.300 0.188 0.000 1.072 308 R CA 0.542 56.699 56.100 0.094 0.000 0.990 308 R CB -0.768 29.684 30.300 0.254 0.000 0.889 308 R HN 0.373 nan 8.270 nan 0.000 0.452 309 F N -0.402 119.429 119.950 -0.199 0.000 2.118 309 F HA 0.217 4.744 4.527 0.000 0.000 0.293 309 F C 1.299 176.857 175.800 -0.404 0.000 1.102 309 F CA 1.786 59.486 58.000 -0.501 0.000 1.247 309 F CB -0.265 38.228 39.000 -0.846 0.000 1.017 309 F HN 0.270 nan 8.300 nan 0.000 0.475 310 G N -0.501 107.932 108.800 -0.611 0.000 2.627 310 G HA2 -0.276 3.684 3.960 0.000 0.000 0.214 310 G HA3 -0.276 3.684 3.960 0.000 0.000 0.214 310 G C -0.187 174.458 174.900 -0.424 0.000 1.331 310 G CA -0.184 44.581 45.100 -0.558 0.000 0.891 310 G HN 0.258 nan 8.290 nan 0.000 0.539 311 F N 1.467 121.336 119.950 -0.134 0.000 2.678 311 F HA 0.486 5.013 4.527 0.000 0.000 0.305 311 F C 1.997 177.805 175.800 0.013 0.000 1.090 311 F CA 1.134 59.151 58.000 0.028 0.000 1.272 311 F CB 1.164 40.153 39.000 -0.019 0.000 1.060 311 F HN 1.638 nan 8.300 nan 0.000 0.576 312 G N -0.072 108.797 108.800 0.114 0.000 2.318 312 G HA2 -0.203 3.757 3.960 0.000 0.000 0.172 312 G HA3 -0.203 3.757 3.960 0.000 0.000 0.172 312 G C 0.699 175.666 174.900 0.112 0.000 1.002 312 G CA 0.230 45.371 45.100 0.069 0.000 0.697 312 G HN 0.274 nan 8.290 nan 0.000 0.483 313 T N -1.644 113.047 114.554 0.229 0.000 3.339 313 T HA 0.623 4.973 4.350 0.000 0.000 0.292 313 T C 1.135 176.121 174.700 0.477 0.000 1.012 313 T CA 1.062 63.412 62.100 0.417 0.000 0.937 313 T CB 0.896 70.126 68.868 0.604 0.000 1.164 313 T HN 2.242 nan 8.240 nan 0.000 0.509 314 G N 0.126 109.068 108.800 0.237 0.000 2.661 314 G HA2 0.319 4.279 3.960 0.000 0.000 0.685 314 G HA3 0.319 4.279 3.960 0.000 0.000 0.685 314 G C 0.090 175.154 174.900 0.274 0.000 1.298 314 G CA -0.494 44.707 45.100 0.168 0.000 0.855 314 G HN 1.030 nan 8.290 nan 0.000 0.560 315 G N -1.189 107.721 108.800 0.183 0.000 2.305 315 G HA2 0.450 4.410 3.960 0.000 0.000 0.243 315 G HA3 0.450 4.410 3.960 0.000 0.000 0.243 315 G C 0.488 175.695 174.900 0.512 0.000 1.288 315 G CA 0.129 45.340 45.100 0.185 0.000 0.901 315 G HN 0.682 nan 8.290 nan 0.000 0.516 316 F N 1.436 121.450 119.950 0.108 0.000 2.727 316 F HA 0.173 4.700 4.527 0.000 0.000 0.302 316 F C 2.184 177.978 175.800 -0.009 0.000 1.097 316 F CA -0.599 57.530 58.000 0.214 0.000 1.330 316 F CB 0.275 39.554 39.000 0.465 0.000 1.084 316 F HN 0.522 nan 8.300 nan 0.000 0.578 317 K N 2.505 122.775 120.400 -0.216 0.000 2.052 317 K HA -0.186 4.134 4.320 0.000 0.000 0.215 317 K C -0.885 175.564 176.600 -0.251 0.000 1.053 317 K CA 2.119 57.989 56.287 -0.697 0.000 0.934 317 K CB -1.656 30.590 32.500 -0.425 0.000 0.717 317 K HN 0.102 nan 8.250 nan 0.000 0.450 318 P HA -0.112 nan 4.420 nan 0.000 0.222 318 P C 0.589 177.924 177.300 0.059 0.000 1.147 318 P CA 1.169 64.308 63.100 0.065 0.000 0.790 318 P CB 0.012 31.808 31.700 0.161 0.000 0.780 319 L N -2.597 118.641 121.223 0.024 0.000 2.653 319 L HA 0.136 4.476 4.340 0.000 0.000 0.231 319 L C 1.901 178.884 176.870 0.189 0.000 1.153 319 L CA -0.223 54.596 54.840 -0.035 0.000 0.933 319 L CB -0.752 41.055 42.059 -0.420 0.000 1.175 319 L HN -0.149 nan 8.230 nan 0.000 0.473 320 Y N 1.209 121.560 120.300 0.085 0.000 2.483 320 Y HA -0.112 4.438 4.550 0.000 0.000 0.291 320 Y C 2.191 178.129 175.900 0.064 0.000 1.143 320 Y CA 0.472 58.642 58.100 0.117 0.000 1.289 320 Y CB -0.433 38.104 38.460 0.129 0.000 0.983 320 Y HN 0.361 nan 8.280 nan 0.000 0.556 321 N N 0.840 119.635 118.700 0.159 0.000 2.467 321 N HA 0.005 4.745 4.740 0.000 0.000 0.184 321 N C 0.873 176.389 175.510 0.009 0.000 1.106 321 N CA 0.268 53.350 53.050 0.053 0.000 0.892 321 N CB -0.042 38.444 38.487 -0.000 0.000 0.969 321 N HN 0.428 nan 8.380 nan 0.000 0.454 322 I N -0.697 119.889 120.570 0.027 0.000 2.892 322 I HA 0.039 4.209 4.170 0.000 0.000 0.287 322 I C 0.894 177.028 176.117 0.029 0.000 1.205 322 I CA -0.243 61.067 61.300 0.017 0.000 1.409 322 I CB 0.525 38.539 38.000 0.023 0.000 1.367 322 I HN -0.204 nan 8.210 nan 0.000 0.597 323 S N 3.332 119.051 115.700 0.031 0.000 2.573 323 S HA 0.047 4.517 4.470 0.000 0.000 0.277 323 S C 0.816 175.435 174.600 0.030 0.000 1.346 323 S CA -0.533 57.681 58.200 0.025 0.000 1.034 323 S CB 0.745 63.973 63.200 0.046 0.000 0.879 323 S HN 0.674 nan 8.310 nan 0.000 0.528 324 L N 6.301 127.514 121.223 -0.017 0.000 2.127 324 L HA -0.054 4.286 4.340 0.000 0.000 0.211 324 L C 2.137 179.084 176.870 0.129 0.000 1.089 324 L CA 1.787 56.614 54.840 -0.021 0.000 0.757 324 L CB -0.789 41.128 42.059 -0.236 0.000 0.899 324 L HN 0.663 nan 8.230 nan 0.000 0.434 325 V N -0.332 119.671 119.914 0.148 0.000 2.287 325 V HA -0.322 3.799 4.120 0.000 0.000 0.248 325 V C 2.628 178.871 176.094 0.248 0.000 1.053 325 V CA 2.003 64.434 62.300 0.218 0.000 1.027 325 V CB -0.735 31.096 31.823 0.014 0.000 0.646 325 V HN 0.536 nan 8.190 nan 0.000 0.447 326 E N -0.168 120.134 120.200 0.170 0.000 2.051 326 E HA -0.255 4.095 4.350 0.000 0.000 0.192 326 E C 2.033 178.712 176.600 0.130 0.000 0.991 326 E CA 1.699 58.194 56.400 0.158 0.000 0.799 326 E CB -0.370 29.403 29.700 0.120 0.000 0.748 326 E HN 0.447 nan 8.360 nan 0.000 0.449 327 M N -0.449 119.214 119.600 0.105 0.000 2.159 327 M HA -0.053 4.427 4.480 0.000 0.000 0.263 327 M C 2.008 178.341 176.300 0.055 0.000 1.063 327 M CA 1.437 56.771 55.300 0.057 0.000 1.110 327 M CB -0.259 32.375 32.600 0.056 0.000 1.374 327 M HN 0.294 nan 8.290 nan 0.000 0.411 328 M N -0.176 119.505 119.600 0.136 0.000 2.213 328 M HA -0.108 4.372 4.480 0.000 0.000 0.263 328 M C 1.906 178.272 176.300 0.111 0.000 1.062 328 M CA 1.749 57.133 55.300 0.141 0.000 1.105 328 M CB -0.347 32.369 32.600 0.194 0.000 1.385 328 M HN 0.243 nan 8.290 nan 0.000 0.417 329 R N -0.587 120.000 120.500 0.145 0.000 2.091 329 R HA -0.128 4.212 4.340 0.000 0.000 0.238 329 R C 2.093 178.440 176.300 0.078 0.000 1.136 329 R CA 1.684 57.809 56.100 0.041 0.000 0.959 329 R CB -0.707 29.627 30.300 0.057 0.000 0.856 329 R HN 0.398 nan 8.270 nan 0.000 0.437 330 L N 0.092 121.375 121.223 0.100 0.000 2.109 330 L HA -0.095 4.245 4.340 0.000 0.000 0.207 330 L C 2.315 179.316 176.870 0.218 0.000 1.086 330 L CA 0.902 55.847 54.840 0.175 0.000 0.760 330 L CB -0.317 41.709 42.059 -0.054 0.000 0.910 330 L HN 0.169 nan 8.230 nan 0.000 0.437 331 I N -0.029 120.600 120.570 0.099 0.000 2.179 331 I HA -0.315 3.855 4.170 0.000 0.000 0.242 331 I C 2.415 178.588 176.117 0.093 0.000 1.088 331 I CA 1.420 62.772 61.300 0.087 0.000 1.357 331 I CB -0.204 37.822 38.000 0.045 0.000 1.051 331 I HN 0.203 nan 8.210 nan 0.000 0.409 332 L N -0.952 120.317 121.223 0.077 0.000 2.131 332 L HA -0.223 4.117 4.340 0.000 0.000 0.210 332 L C 2.206 179.148 176.870 0.119 0.000 1.092 332 L CA 1.089 55.978 54.840 0.081 0.000 0.759 332 L CB -0.506 41.558 42.059 0.008 0.000 0.903 332 L HN 0.452 nan 8.230 nan 0.000 0.435 333 W N 0.724 121.923 121.300 -0.169 0.000 3.047 333 W HA -0.014 4.646 4.660 0.000 0.000 0.250 333 W C 0.714 177.054 176.519 -0.299 0.000 1.314 333 W CA 0.275 57.358 57.345 -0.437 0.000 1.540 333 W CB -0.295 28.989 29.460 -0.293 0.000 1.127 333 W HN 0.227 nan 8.180 nan 0.000 0.679 334 D N -0.721 119.667 120.400 -0.020 0.000 2.697 334 D HA -0.338 4.302 4.640 0.000 0.000 0.238 334 D C 0.879 177.011 176.300 -0.280 0.000 1.152 334 D CA 1.276 55.205 54.000 -0.119 0.000 0.666 334 D CB -1.547 39.162 40.800 -0.151 0.000 1.037 334 D HN 0.530 nan 8.370 nan 0.000 0.423 335 Y N -0.682 119.478 120.300 -0.234 0.000 2.274 335 Y HA -0.163 4.387 4.550 0.000 0.000 0.290 335 Y C 2.210 177.926 175.900 -0.306 0.000 1.145 335 Y CA 1.532 59.368 58.100 -0.440 0.000 1.203 335 Y CB -0.873 37.471 38.460 -0.193 0.000 0.984 335 Y HN 0.182 nan 8.280 nan 0.000 0.533 336 S N -0.104 114.840 115.700 -1.260 0.000 2.515 336 S HA -0.115 4.355 4.470 0.000 0.000 0.231 336 S C 0.821 175.174 174.600 -0.411 0.000 0.987 336 S CA 0.377 57.998 58.200 -0.965 0.000 0.936 336 S CB -0.742 62.024 63.200 -0.724 0.000 0.766 336 S HN 0.520 nan 8.310 nan 0.000 0.528 337 N N 2.617 121.114 118.700 -0.339 0.000 2.605 337 N HA 0.216 4.956 4.740 0.000 0.000 0.258 337 N C -0.912 174.497 175.510 -0.168 0.000 1.156 337 N CA -0.020 52.905 53.050 -0.208 0.000 1.008 337 N CB -0.018 38.380 38.487 -0.147 0.000 1.354 337 N HN 0.517 nan 8.380 nan 0.000 0.509 338 E N 1.592 121.674 120.200 -0.197 0.000 2.299 338 E HA 0.426 4.776 4.350 0.000 0.000 0.265 338 E C -1.079 175.400 176.600 -0.200 0.000 0.911 338 E CA -0.689 55.677 56.400 -0.056 0.000 0.789 338 E CB 1.524 31.203 29.700 -0.036 0.000 1.246 338 E HN 0.390 nan 8.360 nan 0.000 0.427 339 Y N -0.574 119.907 120.300 0.301 0.000 2.605 339 Y HA 0.321 4.871 4.550 0.000 0.000 0.343 339 Y C 0.531 176.741 175.900 0.517 0.000 1.036 339 Y CA -0.979 57.340 58.100 0.366 0.000 1.065 339 Y CB 1.907 40.554 38.460 0.312 0.000 1.288 339 Y HN 0.519 nan 8.280 nan 0.000 0.481 340 T N -0.656 114.260 114.554 0.604 0.000 2.816 340 T HA 0.632 4.982 4.350 0.000 0.000 0.282 340 T C -0.409 174.600 174.700 0.515 0.000 0.993 340 T CA -0.697 61.730 62.100 0.545 0.000 0.994 340 T CB 0.525 69.596 68.868 0.338 0.000 1.025 340 T HN 0.473 nan 8.240 nan 0.000 0.529 341 L N 1.416 122.824 121.223 0.308 0.000 2.375 341 L HA 0.458 4.798 4.340 0.000 0.000 0.268 341 L C -1.754 175.039 176.870 -0.128 0.000 1.058 341 L CA -2.691 52.154 54.840 0.008 0.000 0.803 341 L CB 1.599 43.529 42.059 -0.215 0.000 1.212 341 L HN 0.582 nan 8.230 nan 0.000 0.451 342 P HA 0.117 nan 4.420 nan 0.000 0.225 342 P C -0.962 176.047 177.300 -0.485 0.000 1.813 342 P CA 0.084 62.943 63.100 -0.402 0.000 1.013 342 P CB -0.042 31.390 31.700 -0.446 0.000 1.961 343 V N -1.964 117.794 119.914 -0.258 0.000 3.159 343 V HA 0.481 4.601 4.120 0.000 0.000 0.308 343 V C 0.991 177.059 176.094 -0.043 0.000 1.190 343 V CA -0.647 61.566 62.300 -0.146 0.000 1.037 343 V CB 1.285 33.059 31.823 -0.081 0.000 1.060 343 V HN -0.088 nan 8.190 nan 0.000 0.437 344 T N 1.067 115.614 114.554 -0.012 0.000 2.937 344 T HA 0.216 4.566 4.350 0.000 0.000 0.260 344 T C 0.135 174.843 174.700 0.014 0.000 1.051 344 T CA 1.471 63.572 62.100 0.001 0.000 1.141 344 T CB -0.146 68.721 68.868 -0.002 0.000 0.879 344 T HN 0.849 nan 8.240 nan 0.000 0.459 345 E N 0.818 121.034 120.200 0.027 0.000 2.256 345 E HA 0.394 4.744 4.350 0.000 0.000 0.268 345 E C -0.022 176.626 176.600 0.079 0.000 0.877 345 E CA -0.543 55.880 56.400 0.039 0.000 0.757 345 E CB 1.153 30.862 29.700 0.015 0.000 1.183 345 E HN -0.155 nan 8.360 nan 0.000 0.418 346 N N 1.145 119.912 118.700 0.112 0.000 2.272 346 N HA -0.145 4.595 4.740 0.000 0.000 0.185 346 N C 1.614 177.210 175.510 0.144 0.000 1.014 346 N CA 0.572 53.721 53.050 0.164 0.000 0.870 346 N CB 0.041 38.668 38.487 0.234 0.000 0.975 346 N HN 0.304 nan 8.380 nan 0.000 0.433 347 V N 1.637 121.592 119.914 0.069 0.000 2.688 347 V HA -0.221 3.899 4.120 0.000 0.000 0.256 347 V C 1.696 177.750 176.094 -0.067 0.000 1.084 347 V CA 1.628 63.917 62.300 -0.017 0.000 1.103 347 V CB -0.309 31.502 31.823 -0.021 0.000 0.688 347 V HN 0.289 nan 8.190 nan 0.000 0.480 348 E N -0.614 119.615 120.200 0.047 0.000 2.160 348 E HA -0.239 4.111 4.350 0.000 0.000 0.195 348 E C 1.990 178.691 176.600 0.169 0.000 0.991 348 E CA 1.499 57.952 56.400 0.088 0.000 0.810 348 E CB -0.278 29.530 29.700 0.181 0.000 0.742 348 E HN 0.719 nan 8.360 nan 0.000 0.466 349 F N 1.903 121.910 119.950 0.095 0.000 2.069 349 F HA -0.218 4.309 4.527 0.000 0.000 0.298 349 F C 1.909 177.589 175.800 -0.200 0.000 1.113 349 F CA 1.167 59.169 58.000 0.003 0.000 1.214 349 F CB -0.324 38.738 39.000 0.103 0.000 0.978 349 F HN -0.077 nan 8.300 nan 0.000 0.474 350 I N 0.464 120.868 120.570 -0.276 0.000 2.315 350 I HA -0.224 3.946 4.170 0.000 0.000 0.248 350 I C 2.570 178.350 176.117 -0.562 0.000 1.117 350 I CA 1.236 62.251 61.300 -0.475 0.000 1.404 350 I CB -1.535 36.221 38.000 -0.407 0.000 1.071 350 I HN 0.198 nan 8.210 nan 0.000 0.419 351 R N 1.316 121.370 120.500 -0.742 0.000 2.073 351 R HA -0.183 4.157 4.340 0.000 0.000 0.234 351 R C 2.071 178.290 176.300 -0.135 0.000 1.134 351 R CA 1.838 57.551 56.100 -0.645 0.000 0.952 351 R CB -0.074 29.950 30.300 -0.459 0.000 0.850 351 R HN 0.289 nan 8.270 nan 0.000 0.433 352 N N 0.574 119.184 118.700 -0.149 0.000 2.166 352 N HA -0.162 4.578 4.740 0.000 0.000 0.186 352 N C 1.527 176.958 175.510 -0.133 0.000 1.019 352 N CA 0.839 53.810 53.050 -0.131 0.000 0.856 352 N CB -0.256 38.066 38.487 -0.275 0.000 0.993 352 N HN 0.149 nan 8.380 nan 0.000 0.426 353 L N -0.154 120.960 121.223 -0.181 0.000 2.056 353 L HA -0.026 4.314 4.340 0.000 0.000 0.207 353 L C 1.952 178.817 176.870 -0.007 0.000 1.078 353 L CA 1.208 55.925 54.840 -0.205 0.000 0.749 353 L CB -0.736 41.084 42.059 -0.399 0.000 0.901 353 L HN 0.092 nan 8.230 nan 0.000 0.433 354 F N -0.332 119.580 119.950 -0.063 0.000 2.069 354 F HA -0.273 4.254 4.527 0.000 0.000 0.298 354 F C 2.072 177.910 175.800 0.063 0.000 1.113 354 F CA 1.977 60.018 58.000 0.068 0.000 1.214 354 F CB -0.392 38.751 39.000 0.238 0.000 0.978 354 F HN 0.025 nan 8.300 nan 0.000 0.474 355 L N -0.056 121.155 121.223 -0.020 0.000 2.046 355 L HA -0.210 4.131 4.340 0.000 0.000 0.208 355 L C 2.473 179.275 176.870 -0.114 0.000 1.077 355 L CA 1.655 56.419 54.840 -0.125 0.000 0.747 355 L CB -0.777 41.287 42.059 0.007 0.000 0.896 355 L HN 0.084 nan 8.230 nan 0.000 0.432 356 K N 0.646 121.024 120.400 -0.037 0.000 2.057 356 K HA -0.139 4.181 4.320 0.000 0.000 0.207 356 K C 2.070 178.717 176.600 0.078 0.000 1.049 356 K CA 1.467 57.780 56.287 0.043 0.000 0.931 356 K CB -0.391 32.159 32.500 0.084 0.000 0.714 356 K HN 0.237 nan 8.250 nan 0.000 0.440 357 A N 0.622 123.496 122.820 0.090 0.000 1.917 357 A HA -0.276 4.044 4.320 0.000 0.000 0.219 357 A C 2.080 179.585 177.584 -0.131 0.000 1.182 357 A CA 2.003 54.036 52.037 -0.008 0.000 0.633 357 A CB -0.597 18.403 19.000 -0.000 0.000 0.819 357 A HN 0.542 nan 8.150 nan 0.000 0.448 358 Q N -0.958 118.720 119.800 -0.203 0.000 2.123 358 Q HA -0.127 4.213 4.340 0.000 0.000 0.199 358 Q C 2.163 178.091 176.000 -0.121 0.000 0.966 358 Q CA 1.090 56.776 55.803 -0.194 0.000 0.845 358 Q CB -0.257 28.314 28.738 -0.278 0.000 0.907 358 Q HN 0.795 nan 8.270 nan 0.000 0.439 359 N N 0.967 119.610 118.700 -0.095 0.000 2.106 359 N HA -0.143 4.597 4.740 0.000 0.000 0.188 359 N C 1.957 177.432 175.510 -0.058 0.000 1.029 359 N CA 1.853 54.868 53.050 -0.058 0.000 0.848 359 N CB 0.131 38.598 38.487 -0.034 0.000 1.007 359 N HN 0.227 nan 8.380 nan 0.000 0.423 360 V N -1.025 118.846 119.914 -0.071 0.000 2.626 360 V HA 0.116 4.236 4.120 0.000 0.000 0.252 360 V C 2.370 178.400 176.094 -0.107 0.000 1.067 360 V CA 1.860 64.102 62.300 -0.096 0.000 1.081 360 V CB -1.475 30.246 31.823 -0.170 0.000 0.686 360 V HN 0.243 nan 8.190 nan 0.000 0.468 361 G N -0.176 108.558 108.800 -0.110 0.000 2.586 361 G HA2 0.145 4.105 3.960 0.000 0.000 0.215 361 G HA3 0.145 4.105 3.960 0.000 0.000 0.215 361 G C 1.195 176.057 174.900 -0.063 0.000 1.128 361 G CA 0.624 45.668 45.100 -0.092 0.000 0.774 361 G HN 1.784 nan 8.290 nan 0.000 0.543 362 A N -1.641 121.145 122.820 -0.056 0.000 2.748 362 A HA 0.133 4.453 4.320 0.000 0.000 0.297 362 A C 2.153 179.719 177.584 -0.029 0.000 1.508 362 A CA 1.768 53.782 52.037 -0.039 0.000 0.799 362 A CB -1.521 17.457 19.000 -0.036 0.000 1.011 362 A HN 2.320 nan 8.150 nan 0.000 0.500 363 G N -1.734 107.048 108.800 -0.030 0.000 2.268 363 G HA2 -0.347 3.613 3.960 0.000 0.000 0.240 363 G HA3 -0.347 3.613 3.960 0.000 0.000 0.240 363 G C 0.828 175.721 174.900 -0.011 0.000 1.010 363 G CA 1.062 46.151 45.100 -0.018 0.000 0.618 363 G HN 0.977 nan 8.290 nan 0.000 0.516 364 K N -0.594 119.798 120.400 -0.013 0.000 2.418 364 K HA 0.305 4.625 4.320 0.000 0.000 0.195 364 K C 0.601 177.203 176.600 0.003 0.000 1.035 364 K CA 0.361 56.647 56.287 -0.001 0.000 1.003 364 K CB 0.287 32.784 32.500 -0.005 0.000 0.793 364 K HN 0.377 nan 8.250 nan 0.000 0.494 365 L N 1.046 122.261 121.223 -0.015 0.000 2.313 365 L HA 0.292 4.632 4.340 0.000 0.000 0.283 365 L C -1.039 175.825 176.870 -0.010 0.000 1.013 365 L CA -0.608 54.224 54.840 -0.014 0.000 0.816 365 L CB 1.736 43.769 42.059 -0.044 0.000 1.236 365 L HN -0.312 nan 8.230 nan 0.000 0.419 366 V N 5.741 125.663 119.914 0.012 0.000 2.495 366 V HA 0.612 4.732 4.120 0.000 0.000 0.298 366 V C -0.564 175.548 176.094 0.029 0.000 1.031 366 V CA -0.630 61.680 62.300 0.017 0.000 0.871 366 V CB 1.953 33.793 31.823 0.027 0.000 0.988 366 V HN 0.536 nan 8.190 nan 0.000 0.432 367 V N 4.980 124.910 119.914 0.027 0.000 2.540 367 V HA 0.550 4.670 4.120 0.000 0.000 0.302 367 V C -0.489 175.647 176.094 0.070 0.000 1.035 367 V CA -0.621 61.715 62.300 0.060 0.000 0.873 367 V CB 1.809 33.676 31.823 0.074 0.000 0.992 367 V HN 0.926 nan 8.190 nan 0.000 0.428 368 Q N 2.394 122.231 119.800 0.061 0.000 2.375 368 Q HA 0.696 5.036 4.340 0.000 0.000 0.271 368 Q C -1.445 174.559 176.000 0.006 0.000 1.074 368 Q CA -0.781 55.043 55.803 0.034 0.000 0.808 368 Q CB 3.149 31.893 28.738 0.009 0.000 1.327 368 Q HN 0.569 nan 8.270 nan 0.000 0.441 369 V N 2.496 122.405 119.914 -0.008 0.000 2.427 369 V HA 0.449 4.569 4.120 0.000 0.000 0.286 369 V C -0.310 175.743 176.094 -0.069 0.000 1.034 369 V CA -0.580 61.691 62.300 -0.047 0.000 0.893 369 V CB 1.370 33.154 31.823 -0.064 0.000 0.982 369 V HN 0.619 nan 8.190 nan 0.000 0.452 370 R N 3.212 123.632 120.500 -0.133 0.000 2.343 370 R HA 0.376 4.716 4.340 0.000 0.000 0.320 370 R C -0.301 175.971 176.300 -0.046 0.000 0.956 370 R CA -0.506 55.483 56.100 -0.185 0.000 0.836 370 R CB 1.796 31.797 30.300 -0.499 0.000 1.151 370 R HN 0.709 nan 8.270 nan 0.000 0.450 371 Q N 3.402 123.158 119.800 -0.073 0.000 2.844 371 Q HA 0.075 4.415 4.340 0.000 0.000 0.235 371 Q C -0.983 174.983 176.000 -0.055 0.000 1.336 371 Q CA 0.353 56.074 55.803 -0.137 0.000 1.026 371 Q CB 0.346 28.764 28.738 -0.535 0.000 1.513 371 Q HN 0.519 nan 8.270 nan 0.000 0.577 372 E N 1.701 121.935 120.200 0.057 0.000 2.356 372 E HA 0.344 4.694 4.350 0.000 0.000 0.275 372 E C -1.349 175.380 176.600 0.215 0.000 0.904 372 E CA -0.939 55.546 56.400 0.142 0.000 0.757 372 E CB 2.123 31.927 29.700 0.173 0.000 1.232 372 E HN 0.269 nan 8.360 nan 0.000 0.442 373 R N 2.081 122.705 120.500 0.207 0.000 2.207 373 R HA 0.317 4.657 4.340 0.000 0.000 0.334 373 R C -0.940 175.466 176.300 0.176 0.000 1.013 373 R CA -0.436 55.775 56.100 0.186 0.000 0.858 373 R CB 0.810 31.214 30.300 0.174 0.000 1.094 373 R HN 0.268 nan 8.270 nan 0.000 0.457 374 V N 4.932 124.903 119.914 0.094 0.000 2.521 374 V HA 0.105 4.225 4.120 0.000 0.000 0.286 374 V C 0.998 177.116 176.094 0.040 0.000 1.034 374 V CA 0.643 62.933 62.300 -0.016 0.000 1.045 374 V CB 1.069 32.786 31.823 -0.177 0.000 0.974 374 V HN 1.041 nan 8.190 nan 0.000 0.480 375 A N 4.679 127.529 122.820 0.050 0.000 2.035 375 A HA 0.335 4.655 4.320 0.000 0.000 0.208 375 A C 0.677 178.283 177.584 0.036 0.000 1.206 375 A CA 0.273 52.374 52.037 0.105 0.000 0.773 375 A CB 0.056 19.219 19.000 0.272 0.000 0.878 375 A HN 0.797 nan 8.150 nan 0.000 0.469 376 N N -2.282 116.408 118.700 -0.016 0.000 2.405 376 N HA 0.618 5.358 4.740 0.000 0.000 0.274 376 N C -1.056 174.380 175.510 -0.124 0.000 1.170 376 N CA 0.130 53.142 53.050 -0.063 0.000 0.848 376 N CB 1.997 40.471 38.487 -0.021 0.000 1.629 376 N HN 0.325 nan 8.380 nan 0.000 0.481 377 A N 0.219 122.915 122.820 -0.207 0.000 2.401 377 A HA 0.923 5.243 4.320 0.000 0.000 0.310 377 A C -0.598 176.737 177.584 -0.415 0.000 1.075 377 A CA -0.646 51.214 52.037 -0.295 0.000 0.746 377 A CB 0.424 19.163 19.000 -0.435 0.000 1.277 377 A HN 1.101 nan 8.150 nan 0.000 0.425 378 C N -0.480 118.591 119.300 -0.383 0.000 3.306 378 C HA 0.777 5.237 4.460 0.000 0.000 0.335 378 C C -0.899 174.011 174.990 -0.133 0.000 1.382 378 C CA -0.973 57.847 59.018 -0.329 0.000 1.254 378 C CB 0.102 27.663 27.740 -0.299 0.000 1.555 378 C HN 0.999 nan 8.230 nan 0.000 0.463 379 H N 1.186 120.306 119.070 0.082 0.000 2.473 379 H HA 0.755 5.311 4.556 0.000 0.000 0.327 379 H C 0.478 175.874 175.328 0.112 0.000 1.105 379 H CA 1.156 57.308 56.048 0.173 0.000 1.280 379 H CB 1.471 31.356 29.762 0.205 0.000 1.450 379 H HN 1.074 nan 8.280 nan 0.000 0.492 380 S N 2.061 117.888 115.700 0.211 0.000 2.596 380 S HA 0.758 5.228 4.470 0.000 0.000 0.270 380 S C 0.121 174.835 174.600 0.190 0.000 1.155 380 S CA -0.210 58.107 58.200 0.194 0.000 0.827 380 S CB 1.717 65.010 63.200 0.155 0.000 1.130 380 S HN 1.296 nan 8.310 nan 0.000 0.467 381 G N 0.766 109.676 108.800 0.183 0.000 2.725 381 G HA2 0.017 3.977 3.960 0.000 0.000 0.220 381 G HA3 0.017 3.977 3.960 0.000 0.000 0.220 381 G C 0.348 175.325 174.900 0.128 0.000 1.357 381 G CA 0.682 45.870 45.100 0.147 0.000 0.866 381 G HN 2.251 nan 8.290 nan 0.000 0.548 382 T N -2.382 112.228 114.554 0.093 0.000 3.058 382 T HA 0.737 5.087 4.350 0.000 0.000 0.278 382 T C 1.158 175.885 174.700 0.046 0.000 0.974 382 T CA 1.350 63.492 62.100 0.069 0.000 0.893 382 T CB 0.309 69.214 68.868 0.062 0.000 1.138 382 T HN 2.190 nan 8.240 nan 0.000 0.529 383 A N 1.197 124.043 122.820 0.042 0.000 2.292 383 A HA 0.690 5.010 4.320 0.000 0.000 0.265 383 A C 1.883 179.470 177.584 0.006 0.000 1.133 383 A CA 0.200 52.249 52.037 0.020 0.000 0.807 383 A CB 0.126 19.136 19.000 0.016 0.000 1.102 383 A HN 0.246 nan 8.150 nan 0.000 0.502 384 S N -0.798 114.893 115.700 -0.015 0.000 2.355 384 S HA 0.043 4.513 4.470 0.000 0.000 0.222 384 S C 1.089 175.656 174.600 -0.055 0.000 1.031 384 S CA 1.146 59.325 58.200 -0.035 0.000 0.993 384 S CB -0.530 62.641 63.200 -0.049 0.000 0.859 384 S HN 1.400 nan 8.310 nan 0.000 0.453 385 A N 1.197 123.982 122.820 -0.058 0.000 2.343 385 A HA 0.525 4.845 4.320 0.000 0.000 0.305 385 A C 0.822 178.391 177.584 -0.024 0.000 1.308 385 A CA -0.513 51.482 52.037 -0.071 0.000 0.949 385 A CB 0.065 19.010 19.000 -0.091 0.000 1.148 385 A HN 0.585 nan 8.150 nan 0.000 0.545 386 R N 2.174 122.673 120.500 -0.001 0.000 2.373 386 R HA 0.200 4.540 4.340 0.000 0.000 0.221 386 R C 0.564 176.914 176.300 0.084 0.000 0.893 386 R CA 0.537 56.683 56.100 0.076 0.000 1.049 386 R CB 0.664 31.044 30.300 0.132 0.000 1.119 386 R HN 0.667 nan 8.270 nan 0.000 0.535 387 A N 2.396 125.208 122.820 -0.012 0.000 2.343 387 A HA 0.187 4.507 4.320 0.000 0.000 0.305 387 A C -0.223 177.406 177.584 0.076 0.000 1.308 387 A CA -0.301 51.666 52.037 -0.115 0.000 0.949 387 A CB 0.298 18.976 19.000 -0.538 0.000 1.148 387 A HN 0.017 nan 8.150 nan 0.000 0.545 388 Q N 1.852 121.728 119.800 0.128 0.000 2.241 388 Q HA 0.577 4.917 4.340 0.000 0.000 0.254 388 Q C -0.995 175.060 176.000 0.091 0.000 0.917 388 Q CA -0.094 55.741 55.803 0.053 0.000 0.919 388 Q CB 2.081 30.669 28.738 -0.250 0.000 1.237 388 Q HN 0.699 nan 8.270 nan 0.000 0.434 389 L N 2.886 124.187 121.223 0.129 0.000 2.381 389 L HA 0.450 4.790 4.340 0.000 0.000 0.274 389 L C -0.926 175.976 176.870 0.053 0.000 0.988 389 L CA -0.959 53.909 54.840 0.047 0.000 0.824 389 L CB 1.807 43.843 42.059 -0.038 0.000 1.263 389 L HN 0.334 nan 8.230 nan 0.000 0.410 390 L N 3.511 124.733 121.223 -0.001 0.000 2.296 390 L HA 0.709 5.049 4.340 0.000 0.000 0.286 390 L C -0.106 176.697 176.870 -0.112 0.000 1.023 390 L CA 0.277 55.102 54.840 -0.025 0.000 0.812 390 L CB 1.632 43.718 42.059 0.044 0.000 1.223 390 L HN 0.734 nan 8.230 nan 0.000 0.421 391 S N 2.811 118.420 115.700 -0.151 0.000 2.618 391 S HA 0.757 5.227 4.470 0.000 0.000 0.277 391 S C -1.386 173.048 174.600 -0.277 0.000 1.138 391 S CA -0.710 57.436 58.200 -0.091 0.000 0.844 391 S CB 1.429 64.759 63.200 0.217 0.000 1.127 391 S HN 0.354 nan 8.310 nan 0.000 0.474 392 Y N 0.932 121.354 120.300 0.203 0.000 2.391 392 Y HA 0.471 5.021 4.550 0.000 0.000 0.341 392 Y C 0.021 176.030 175.900 0.183 0.000 0.965 392 Y CA -0.846 57.363 58.100 0.181 0.000 1.067 392 Y CB 1.419 39.940 38.460 0.101 0.000 1.199 392 Y HN 0.919 nan 8.280 nan 0.000 0.450 393 D N -0.824 119.792 120.400 0.360 0.000 2.447 393 D HA 0.121 4.761 4.640 0.000 0.000 0.265 393 D C 1.144 177.498 176.300 0.091 0.000 1.250 393 D CA -0.177 53.944 54.000 0.202 0.000 1.046 393 D CB 0.469 41.405 40.800 0.227 0.000 1.095 393 D HN 0.379 nan 8.370 nan 0.000 0.555 394 S N -1.883 113.779 115.700 -0.063 0.000 2.507 394 S HA -0.160 4.310 4.470 0.000 0.000 0.235 394 S C 0.745 175.068 174.600 -0.463 0.000 0.988 394 S CA 0.445 58.491 58.200 -0.257 0.000 0.944 394 S CB -0.585 62.397 63.200 -0.363 0.000 0.762 394 S HN 0.549 nan 8.310 nan 0.000 0.526 395 H N 1.451 120.559 119.070 0.065 0.000 2.486 395 H HA 0.370 4.926 4.556 0.000 0.000 0.284 395 H C 0.117 175.483 175.328 0.063 0.000 1.103 395 H CA -0.220 55.859 56.048 0.051 0.000 1.089 395 H CB -0.049 29.738 29.762 0.042 0.000 1.603 395 H HN 0.291 nan 8.280 nan 0.000 0.557 396 N N -0.055 118.723 118.700 0.129 0.000 2.850 396 N HA -0.142 4.598 4.740 0.000 0.000 0.249 396 N C 0.232 175.867 175.510 0.209 0.000 1.060 396 N CA 0.803 53.923 53.050 0.118 0.000 0.825 396 N CB -1.311 37.175 38.487 -0.002 0.000 1.132 396 N HN 0.481 nan 8.380 nan 0.000 0.564 397 A N 0.202 123.153 122.820 0.218 0.000 2.401 397 A HA 0.521 4.841 4.320 0.000 0.000 0.259 397 A C 0.710 178.339 177.584 0.076 0.000 1.103 397 A CA -0.146 51.966 52.037 0.125 0.000 0.789 397 A CB 0.980 20.012 19.000 0.053 0.000 1.035 397 A HN 0.142 nan 8.150 nan 0.000 0.491 398 V N 3.108 122.994 119.914 -0.047 0.000 2.732 398 V HA 0.440 4.560 4.120 0.000 0.000 0.297 398 V C -0.389 175.360 176.094 -0.576 0.000 1.060 398 V CA 0.134 62.297 62.300 -0.229 0.000 1.038 398 V CB 0.702 32.471 31.823 -0.089 0.000 1.003 398 V HN 1.010 nan 8.190 nan 0.000 0.481 399 H N 2.711 121.717 119.070 -0.107 0.000 2.894 399 H HA 0.617 5.173 4.556 0.000 0.000 0.367 399 H C -0.791 174.488 175.328 -0.081 0.000 1.144 399 H CA -0.344 55.678 56.048 -0.042 0.000 1.180 399 H CB 1.964 31.740 29.762 0.023 0.000 1.758 399 H HN 0.643 nan 8.280 nan 0.000 0.541 400 S N 1.613 117.314 115.700 0.002 0.000 2.521 400 S HA 0.570 5.040 4.470 0.000 0.000 0.295 400 S C -1.219 173.385 174.600 0.006 0.000 1.098 400 S CA -0.554 57.595 58.200 -0.085 0.000 0.999 400 S CB 1.316 64.191 63.200 -0.540 0.000 1.034 400 S HN 0.660 nan 8.310 nan 0.000 0.483 401 E N 1.748 121.982 120.200 0.056 0.000 2.343 401 E HA 0.725 5.075 4.350 0.000 0.000 0.278 401 E C -1.327 175.176 176.600 -0.161 0.000 0.910 401 E CA -0.523 55.840 56.400 -0.062 0.000 0.757 401 E CB 1.966 31.656 29.700 -0.017 0.000 1.218 401 E HN 0.752 nan 8.360 nan 0.000 0.435 402 A N 2.872 125.487 122.820 -0.342 0.000 2.337 402 A HA 0.781 5.101 4.320 0.000 0.000 0.329 402 A C -1.522 175.691 177.584 -0.619 0.000 1.146 402 A CA -0.352 51.517 52.037 -0.280 0.000 0.800 402 A CB 0.462 19.400 19.000 -0.104 0.000 1.220 402 A HN 0.533 nan 8.150 nan 0.000 0.472 403 Y N -0.249 120.027 120.300 -0.039 0.000 2.605 403 Y HA 0.321 4.871 4.550 0.000 0.000 0.343 403 Y C 0.720 176.521 175.900 -0.164 0.000 1.036 403 Y CA -0.808 57.253 58.100 -0.065 0.000 1.065 403 Y CB 1.669 40.101 38.460 -0.047 0.000 1.288 403 Y HN 0.712 nan 8.280 nan 0.000 0.481 404 D N 0.659 121.029 120.400 -0.050 0.000 2.097 404 D HA -0.034 4.606 4.640 0.000 0.000 0.197 404 D C -0.424 175.402 176.300 -0.790 0.000 0.984 404 D CA 1.907 55.647 54.000 -0.433 0.000 0.826 404 D CB 0.165 40.732 40.800 -0.389 0.000 0.973 404 D HN 0.194 nan 8.370 nan 0.000 0.460 405 F N -0.938 119.072 119.950 0.100 0.000 2.613 405 F HA 0.450 4.977 4.527 0.000 0.000 0.310 405 F C -0.382 175.363 175.800 -0.091 0.000 1.085 405 F CA -1.123 56.888 58.000 0.019 0.000 0.945 405 F CB 2.020 41.094 39.000 0.124 0.000 1.298 405 F HN -0.450 nan 8.300 nan 0.000 0.455 406 V N 3.064 122.960 119.914 -0.030 0.000 2.686 406 V HA 0.471 4.591 4.120 0.000 0.000 0.306 406 V C -0.615 175.559 176.094 0.134 0.000 1.065 406 V CA -0.719 61.519 62.300 -0.103 0.000 0.894 406 V CB 2.283 33.903 31.823 -0.338 0.000 1.004 406 V HN 0.574 nan 8.190 nan 0.000 0.424 407 I N 5.323 125.982 120.570 0.148 0.000 2.330 407 I HA 0.385 4.555 4.170 0.000 0.000 0.289 407 I C -0.472 175.748 176.117 0.171 0.000 1.001 407 I CA -0.398 61.033 61.300 0.219 0.000 1.193 407 I CB 1.398 39.503 38.000 0.174 0.000 1.345 407 I HN 0.387 nan 8.210 nan 0.000 0.461 408 L N 6.994 128.338 121.223 0.201 0.000 2.302 408 L HA 0.395 4.735 4.340 0.000 0.000 0.285 408 L C 0.725 177.703 176.870 0.181 0.000 1.090 408 L CA -0.148 54.782 54.840 0.149 0.000 0.866 408 L CB 0.641 42.766 42.059 0.110 0.000 1.244 408 L HN 0.692 nan 8.230 nan 0.000 0.435 409 A N 4.421 127.336 122.820 0.159 0.000 3.290 409 A HA 0.549 4.869 4.320 0.000 0.000 0.297 409 A C -0.102 177.567 177.584 0.142 0.000 1.285 409 A CA -0.380 51.758 52.037 0.169 0.000 1.060 409 A CB 0.010 19.090 19.000 0.133 0.000 1.114 409 A HN 0.434 nan 8.150 nan 0.000 0.601 410 V N -2.551 117.470 119.914 0.178 0.000 2.876 410 V HA 0.799 4.919 4.120 0.000 0.000 0.312 410 V C -3.016 173.167 176.094 0.148 0.000 1.085 410 V CA -2.449 59.928 62.300 0.129 0.000 0.945 410 V CB 2.227 34.114 31.823 0.105 0.000 1.017 410 V HN 0.267 nan 8.190 nan 0.000 0.428 411 P HA 0.255 nan 4.420 nan 0.000 0.275 411 P C 0.348 177.674 177.300 0.044 0.000 1.266 411 P CA 0.380 63.441 63.100 -0.065 0.000 0.793 411 P CB 0.452 32.074 31.700 -0.131 0.000 1.074 412 H N -1.568 117.518 119.070 0.026 0.000 2.357 412 H HA -0.079 4.477 4.556 0.000 0.000 0.301 412 H C 1.138 176.528 175.328 0.103 0.000 1.082 412 H CA 1.646 57.787 56.048 0.155 0.000 1.342 412 H CB -0.959 28.890 29.762 0.145 0.000 1.389 412 H HN 0.252 nan 8.280 nan 0.000 0.511 413 D N 0.704 120.999 120.400 -0.176 0.000 2.178 413 D HA -0.128 4.512 4.640 0.000 0.000 0.202 413 D C 1.974 178.278 176.300 0.006 0.000 0.974 413 D CA 1.100 55.071 54.000 -0.050 0.000 0.841 413 D CB -0.101 40.623 40.800 -0.127 0.000 0.953 413 D HN 0.640 nan 8.370 nan 0.000 0.478 414 Q N -0.139 119.664 119.800 0.004 0.000 2.245 414 Q HA -0.054 4.286 4.340 0.000 0.000 0.201 414 Q C 2.102 178.137 176.000 0.058 0.000 0.955 414 Q CA 0.256 56.082 55.803 0.038 0.000 0.870 414 Q CB 0.118 28.882 28.738 0.044 0.000 0.945 414 Q HN 0.147 nan 8.270 nan 0.000 0.461 415 L N 0.354 121.632 121.223 0.092 0.000 2.072 415 L HA -0.109 4.231 4.340 0.000 0.000 0.205 415 L C 2.074 178.966 176.870 0.037 0.000 1.079 415 L CA 1.777 56.666 54.840 0.081 0.000 0.752 415 L CB -0.734 41.412 42.059 0.144 0.000 0.906 415 L HN 0.073 nan 8.230 nan 0.000 0.436 416 T N 1.356 115.948 114.554 0.063 0.000 2.597 416 T HA -0.153 4.197 4.350 0.000 0.000 0.267 416 T C -0.589 174.120 174.700 0.016 0.000 1.053 416 T CA 2.328 64.457 62.100 0.047 0.000 1.165 416 T CB -1.362 67.552 68.868 0.075 0.000 0.863 416 T HN 0.374 nan 8.240 nan 0.000 0.427 417 P HA 0.034 nan 4.420 nan 0.000 0.220 417 P C 1.453 178.743 177.300 -0.016 0.000 1.148 417 P CA 1.013 64.118 63.100 0.009 0.000 0.803 417 P CB -0.320 31.396 31.700 0.026 0.000 0.782 418 I N -0.363 120.189 120.570 -0.029 0.000 2.353 418 I HA -0.133 4.037 4.170 0.000 0.000 0.248 418 I C 2.219 178.256 176.117 -0.134 0.000 1.119 418 I CA 1.326 62.584 61.300 -0.070 0.000 1.417 418 I CB -0.359 37.600 38.000 -0.068 0.000 1.078 418 I HN -0.104 nan 8.210 nan 0.000 0.421 419 V N -3.429 116.407 119.914 -0.130 0.000 3.645 419 V HA 0.202 4.322 4.120 0.000 0.000 0.275 419 V C 1.602 177.605 176.094 -0.151 0.000 1.356 419 V CA 0.697 62.888 62.300 -0.182 0.000 1.051 419 V CB 0.208 31.916 31.823 -0.192 0.000 0.828 419 V HN 0.367 nan 8.190 nan 0.000 0.441 420 S N -0.151 115.487 115.700 -0.103 0.000 2.559 420 S HA 0.319 4.789 4.470 0.000 0.000 0.226 420 S C 1.468 175.986 174.600 -0.137 0.000 1.000 420 S CA -0.283 57.868 58.200 -0.081 0.000 0.948 420 S CB -0.099 63.112 63.200 0.020 0.000 0.870 420 S HN 0.593 nan 8.310 nan 0.000 0.497 421 R N 0.479 120.892 120.500 -0.144 0.000 2.432 421 R HA 0.385 4.725 4.340 0.000 0.000 0.260 421 R C 0.537 176.742 176.300 -0.159 0.000 0.935 421 R CA 0.123 56.152 56.100 -0.118 0.000 1.080 421 R CB 0.293 30.560 30.300 -0.054 0.000 1.155 421 R HN 0.260 nan 8.270 nan 0.000 0.531 422 S N 0.304 115.858 115.700 -0.244 0.000 2.568 422 S HA 0.241 4.711 4.470 0.000 0.000 0.232 422 S C 0.608 175.007 174.600 -0.336 0.000 0.975 422 S CA 0.355 58.414 58.200 -0.236 0.000 0.949 422 S CB 0.940 64.008 63.200 -0.219 0.000 0.829 422 S HN 0.659 nan 8.310 nan 0.000 0.479 423 G N 1.400 109.884 108.800 -0.527 0.000 2.645 423 G HA2 -0.249 3.711 3.960 0.000 0.000 0.239 423 G HA3 -0.249 3.711 3.960 0.000 0.000 0.239 423 G C -0.194 174.116 174.900 -0.983 0.000 1.331 423 G CA 0.017 44.691 45.100 -0.710 0.000 0.890 423 G HN 0.386 nan 8.290 nan 0.000 0.572 424 F N 1.767 121.707 119.950 -0.016 0.000 2.781 424 F HA 0.414 4.941 4.527 0.000 0.000 0.322 424 F C 0.997 176.812 175.800 0.024 0.000 1.108 424 F CA 0.589 58.591 58.000 0.004 0.000 1.179 424 F CB 0.653 39.657 39.000 0.006 0.000 1.072 424 F HN 0.883 nan 8.300 nan 0.000 0.545 425 E N -1.922 118.322 120.200 0.073 0.000 2.425 425 E HA 0.175 4.525 4.350 0.000 0.000 0.272 425 E C -0.940 175.601 176.600 -0.099 0.000 1.061 425 E CA -0.962 55.481 56.400 0.072 0.000 0.877 425 E CB 1.042 30.801 29.700 0.098 0.000 1.590 425 E HN 0.028 nan 8.360 nan 0.000 0.462 426 H N 0.410 119.295 119.070 -0.308 0.000 2.972 426 H HA 0.337 4.893 4.556 0.000 0.000 0.343 426 H C -1.388 173.733 175.328 -0.345 0.000 1.054 426 H CA 1.071 56.706 56.048 -0.689 0.000 1.412 426 H CB 0.815 30.215 29.762 -0.603 0.000 1.385 426 H HN 0.591 nan 8.280 nan 0.000 0.600 427 A N 3.541 125.740 122.820 -1.035 0.000 2.398 427 A HA 0.555 4.875 4.320 0.000 0.000 0.301 427 A C 0.692 177.809 177.584 -0.778 0.000 1.041 427 A CA -0.098 51.549 52.037 -0.649 0.000 0.711 427 A CB 1.212 20.013 19.000 -0.331 0.000 1.240 427 A HN 0.872 nan 8.150 nan 0.000 0.420 428 A N 1.219 123.798 122.820 -0.402 0.000 1.908 428 A HA 0.316 4.636 4.320 0.000 0.000 0.218 428 A C 1.197 178.710 177.584 -0.118 0.000 1.181 428 A CA 2.116 54.051 52.037 -0.170 0.000 0.627 428 A CB -0.224 18.774 19.000 -0.002 0.000 0.818 428 A HN 1.623 nan 8.150 nan 0.000 0.445 429 S N -1.919 113.719 115.700 -0.103 0.000 2.537 429 S HA 0.559 5.029 4.470 0.000 0.000 0.271 429 S C -1.643 172.931 174.600 -0.043 0.000 1.148 429 S CA -0.664 57.507 58.200 -0.049 0.000 0.868 429 S CB 1.187 64.369 63.200 -0.030 0.000 1.115 429 S HN 0.462 nan 8.310 nan 0.000 0.461 430 Q N 1.942 121.745 119.800 0.004 0.000 2.345 430 Q HA 0.459 4.799 4.340 0.000 0.000 0.275 430 Q C -1.484 174.549 176.000 0.055 0.000 1.063 430 Q CA -1.041 54.773 55.803 0.018 0.000 0.819 430 Q CB 1.670 30.417 28.738 0.015 0.000 1.356 430 Q HN 0.542 nan 8.270 nan 0.000 0.418 431 N N 2.708 121.427 118.700 0.031 0.000 2.645 431 N HA 0.307 5.047 4.740 0.000 0.000 0.233 431 N C -0.950 174.605 175.510 0.075 0.000 1.058 431 N CA 0.003 53.071 53.050 0.029 0.000 0.942 431 N CB 0.548 39.033 38.487 -0.002 0.000 1.210 431 N HN 0.405 nan 8.380 nan 0.000 0.512 432 L N 0.625 121.939 121.223 0.151 0.000 2.379 432 L HA 0.773 5.113 4.340 0.000 0.000 0.269 432 L C 1.197 178.168 176.870 0.169 0.000 1.084 432 L CA -0.426 54.516 54.840 0.170 0.000 0.802 432 L CB 1.248 43.456 42.059 0.248 0.000 1.175 432 L HN 0.558 nan 8.230 nan 0.000 0.448 433 G N 0.914 109.808 108.800 0.156 0.000 2.346 433 G HA2 -0.079 3.881 3.960 0.000 0.000 0.294 433 G HA3 -0.079 3.881 3.960 0.000 0.000 0.294 433 G C -1.512 173.508 174.900 0.201 0.000 1.294 433 G CA -0.812 44.424 45.100 0.226 0.000 0.962 433 G HN 0.462 nan 8.290 nan 0.000 0.508 434 D N 1.338 121.891 120.400 0.255 0.000 2.896 434 D HA 0.492 5.132 4.640 0.000 0.000 0.240 434 D C 1.586 177.900 176.300 0.023 0.000 1.193 434 D CA 0.608 54.658 54.000 0.084 0.000 0.983 434 D CB 0.605 41.395 40.800 -0.018 0.000 1.074 434 D HN 0.738 nan 8.370 nan 0.000 0.496 435 A N 0.585 123.432 122.820 0.045 0.000 1.933 435 A HA -0.072 4.248 4.320 0.000 0.000 0.218 435 A C 2.209 179.793 177.584 0.001 0.000 1.175 435 A CA 1.624 53.676 52.037 0.025 0.000 0.628 435 A CB -0.432 18.586 19.000 0.029 0.000 0.814 435 A HN 0.440 nan 8.150 nan 0.000 0.444 436 G N -0.484 108.315 108.800 -0.002 0.000 2.471 436 G HA2 -0.027 3.933 3.960 0.000 0.000 0.219 436 G HA3 -0.027 3.933 3.960 0.000 0.000 0.219 436 G C 1.286 176.172 174.900 -0.023 0.000 1.125 436 G CA 0.773 45.868 45.100 -0.009 0.000 0.775 436 G HN 0.463 nan 8.290 nan 0.000 0.548 437 L N 0.244 121.443 121.223 -0.041 0.000 2.599 437 L HA 0.233 4.573 4.340 0.000 0.000 0.230 437 L C 2.014 178.842 176.870 -0.069 0.000 1.141 437 L CA 0.404 55.205 54.840 -0.066 0.000 0.877 437 L CB -0.170 41.823 42.059 -0.109 0.000 1.009 437 L HN 0.339 nan 8.230 nan 0.000 0.447 438 G N 0.621 109.391 108.800 -0.050 0.000 2.148 438 G HA2 -0.268 3.692 3.960 0.000 0.000 0.254 438 G HA3 -0.268 3.692 3.960 0.000 0.000 0.254 438 G C 0.220 175.091 174.900 -0.048 0.000 0.981 438 G CA -0.025 45.052 45.100 -0.038 0.000 0.670 438 G HN 0.246 nan 8.290 nan 0.000 0.528 439 L N -0.077 121.095 121.223 -0.085 0.000 2.439 439 L HA 0.514 4.854 4.340 0.000 0.000 0.259 439 L C 1.006 177.907 176.870 0.051 0.000 1.129 439 L CA -0.794 53.985 54.840 -0.101 0.000 0.803 439 L CB 0.880 42.671 42.059 -0.448 0.000 1.161 439 L HN 0.301 nan 8.230 nan 0.000 0.462 440 E N 0.647 120.938 120.200 0.152 0.000 2.360 440 E HA 0.134 4.484 4.350 0.000 0.000 0.269 440 E C -0.608 176.115 176.600 0.206 0.000 1.022 440 E CA -0.491 56.000 56.400 0.151 0.000 0.887 440 E CB 0.997 30.774 29.700 0.128 0.000 0.990 440 E HN 0.634 nan 8.360 nan 0.000 0.426 441 T N 1.370 115.996 114.554 0.120 0.000 2.912 441 T HA 0.340 4.690 4.350 0.000 0.000 0.280 441 T C -0.601 174.140 174.700 0.069 0.000 0.989 441 T CA -0.705 61.462 62.100 0.111 0.000 0.995 441 T CB 1.209 70.119 68.868 0.070 0.000 1.077 441 T HN 0.605 nan 8.240 nan 0.000 0.531 442 H N -0.866 118.159 119.070 -0.076 0.000 2.667 442 H HA 0.472 5.028 4.556 0.000 0.000 0.353 442 H C -0.875 174.264 175.328 -0.314 0.000 1.072 442 H CA -0.428 55.478 56.048 -0.236 0.000 1.214 442 H CB 1.642 31.191 29.762 -0.355 0.000 1.600 442 H HN 0.731 nan 8.280 nan 0.000 0.527 443 T N 5.252 119.448 114.554 -0.597 0.000 2.749 443 T HA 0.188 4.538 4.350 0.000 0.000 0.295 443 T C -0.929 173.536 174.700 -0.392 0.000 0.936 443 T CA -0.026 61.860 62.100 -0.356 0.000 1.060 443 T CB -0.225 68.482 68.868 -0.268 0.000 0.904 443 T HN 0.320 nan 8.240 nan 0.000 0.500 444 Y N 2.479 122.802 120.300 0.038 0.000 2.409 444 Y HA 0.455 5.005 4.550 0.000 0.000 0.339 444 Y C 0.730 176.634 175.900 0.007 0.000 1.033 444 Y CA -1.145 56.997 58.100 0.070 0.000 1.094 444 Y CB 1.409 39.923 38.460 0.091 0.000 1.210 444 Y HN 0.501 nan 8.280 nan 0.000 0.456 445 N N 2.395 121.199 118.700 0.174 0.000 2.319 445 N HA 0.203 4.943 4.740 0.000 0.000 0.305 445 N C -1.173 174.391 175.510 0.090 0.000 1.103 445 N CA -0.630 52.470 53.050 0.084 0.000 0.815 445 N CB 1.647 40.171 38.487 0.062 0.000 1.288 445 N HN 0.574 nan 8.380 nan 0.000 0.493 446 Q N -0.688 119.131 119.800 0.031 0.000 2.457 446 Q HA -0.119 4.221 4.340 0.000 0.000 0.333 446 Q C -1.037 174.984 176.000 0.034 0.000 1.448 446 Q CA 0.474 56.320 55.803 0.071 0.000 0.891 446 Q CB -1.802 27.060 28.738 0.207 0.000 1.142 446 Q HN 0.386 nan 8.270 nan 0.000 0.375 447 V N 1.439 121.231 119.914 -0.204 0.000 2.439 447 V HA 0.538 4.658 4.120 0.000 0.000 0.282 447 V C 0.082 176.005 176.094 -0.284 0.000 1.039 447 V CA -0.394 61.833 62.300 -0.121 0.000 0.913 447 V CB 1.073 32.820 31.823 -0.127 0.000 0.983 447 V HN 0.332 nan 8.190 nan 0.000 0.460 448 Y N 4.191 124.505 120.300 0.023 0.000 2.536 448 Y HA 0.525 5.075 4.550 0.000 0.000 0.347 448 Y C -2.229 173.691 175.900 0.035 0.000 1.000 448 Y CA -2.675 55.448 58.100 0.038 0.000 1.051 448 Y CB 2.244 40.739 38.460 0.058 0.000 1.259 448 Y HN 0.444 nan 8.280 nan 0.000 0.468 449 P HA -0.018 nan 4.420 nan 0.000 0.268 449 P C -2.121 175.207 177.300 0.046 0.000 1.208 449 P CA -1.048 62.054 63.100 0.003 0.000 0.777 449 P CB 0.447 32.142 31.700 -0.010 0.000 0.875 450 P HA -0.056 nan 4.420 nan 0.000 0.216 450 P C 0.431 177.563 177.300 -0.281 0.000 1.153 450 P CA 1.447 64.120 63.100 -0.713 0.000 0.844 450 P CB 0.191 31.085 31.700 -1.342 0.000 0.787 451 L N 0.600 121.719 121.223 -0.173 0.000 2.466 451 L HA 0.217 4.557 4.340 0.000 0.000 0.248 451 L C 0.396 177.319 176.870 0.089 0.000 1.240 451 L CA -0.761 54.065 54.840 -0.023 0.000 1.180 451 L CB -0.377 41.576 42.059 -0.176 0.000 1.413 451 L HN -0.084 nan 8.230 nan 0.000 0.406 452 L N 2.560 123.834 121.223 0.085 0.000 2.302 452 L HA 0.217 4.557 4.340 0.000 0.000 0.285 452 L C 0.695 177.530 176.870 -0.058 0.000 1.090 452 L CA 0.438 55.295 54.840 0.028 0.000 0.866 452 L CB 0.599 42.642 42.059 -0.026 0.000 1.244 452 L HN 0.466 nan 8.230 nan 0.000 0.435 453 L N 1.857 123.091 121.223 0.018 0.000 2.477 453 L HA 0.253 4.593 4.340 0.000 0.000 0.220 453 L C 0.629 177.504 176.870 0.008 0.000 1.106 453 L CA 0.316 55.161 54.840 0.009 0.000 0.851 453 L CB 0.049 42.149 42.059 0.068 0.000 0.994 453 L HN 0.659 nan 8.230 nan 0.000 0.462 454 S N -0.504 115.209 115.700 0.022 0.000 2.566 454 S HA 0.117 4.587 4.470 0.000 0.000 0.273 454 S C 0.194 174.817 174.600 0.038 0.000 1.157 454 S CA -0.802 57.413 58.200 0.025 0.000 0.938 454 S CB 1.154 64.380 63.200 0.045 0.000 1.087 454 S HN 0.333 nan 8.310 nan 0.000 0.474 455 D N 2.849 123.251 120.400 0.003 0.000 2.403 455 D HA -0.008 4.632 4.640 0.000 0.000 0.227 455 D C 0.779 177.131 176.300 0.087 0.000 0.995 455 D CA 0.697 54.717 54.000 0.034 0.000 0.928 455 D CB 0.106 40.892 40.800 -0.022 0.000 0.887 455 D HN 0.312 nan 8.370 nan 0.000 0.529 456 S N -1.297 114.446 115.700 0.071 0.000 2.612 456 S HA 0.032 4.502 4.470 0.000 0.000 0.278 456 S C 0.485 175.122 174.600 0.062 0.000 1.082 456 S CA -0.459 57.781 58.200 0.066 0.000 1.185 456 S CB 0.910 64.133 63.200 0.040 0.000 1.077 456 S HN 0.163 nan 8.310 nan 0.000 0.585 457 S N 3.721 119.457 115.700 0.060 0.000 2.464 457 S HA 0.345 4.815 4.470 0.000 0.000 0.313 457 S C -2.004 172.636 174.600 0.066 0.000 1.078 457 S CA -1.908 56.323 58.200 0.051 0.000 1.096 457 S CB 0.678 63.901 63.200 0.038 0.000 1.032 457 S HN 0.032 nan 8.310 nan 0.000 0.498 458 P HA -0.038 nan 4.420 nan 0.000 0.219 458 P C 1.226 178.534 177.300 0.013 0.000 1.146 458 P CA 0.813 63.972 63.100 0.098 0.000 0.808 458 P CB 0.073 31.837 31.700 0.106 0.000 0.779 459 A N 0.329 123.137 122.820 -0.021 0.000 1.930 459 A HA -0.026 4.294 4.320 0.000 0.000 0.217 459 A C 2.371 179.928 177.584 -0.045 0.000 1.175 459 A CA 1.843 53.837 52.037 -0.070 0.000 0.627 459 A CB -1.441 17.531 19.000 -0.048 0.000 0.815 459 A HN 0.206 nan 8.150 nan 0.000 0.443 460 A N 0.635 123.457 122.820 0.004 0.000 1.902 460 A HA -0.207 4.113 4.320 0.000 0.000 0.217 460 A C 1.897 179.511 177.584 0.050 0.000 1.181 460 A CA 1.788 53.842 52.037 0.028 0.000 0.623 460 A CB -0.634 18.390 19.000 0.041 0.000 0.818 460 A HN 0.555 nan 8.150 nan 0.000 0.443 461 N N 0.591 119.341 118.700 0.083 0.000 2.166 461 N HA -0.106 4.634 4.740 0.000 0.000 0.186 461 N C 1.812 177.419 175.510 0.162 0.000 1.019 461 N CA 1.602 54.749 53.050 0.162 0.000 0.856 461 N CB -0.594 38.038 38.487 0.242 0.000 0.993 461 N HN 0.486 nan 8.380 nan 0.000 0.426 462 A N 0.982 123.759 122.820 -0.073 0.000 1.968 462 A HA -0.054 4.266 4.320 0.000 0.000 0.217 462 A C 2.285 179.763 177.584 -0.176 0.000 1.169 462 A CA 1.072 52.837 52.037 -0.454 0.000 0.638 462 A CB -0.284 18.189 19.000 -0.879 0.000 0.812 462 A HN 0.094 nan 8.150 nan 0.000 0.446 463 R N 0.056 120.506 120.500 -0.083 0.000 2.073 463 R HA -0.090 4.250 4.340 0.000 0.000 0.234 463 R C 1.751 178.056 176.300 0.008 0.000 1.134 463 R CA 1.814 57.895 56.100 -0.032 0.000 0.952 463 R CB -0.946 29.350 30.300 -0.006 0.000 0.850 463 R HN 0.440 nan 8.270 nan 0.000 0.433 464 I N -0.112 120.479 120.570 0.035 0.000 2.179 464 I HA -0.189 3.981 4.170 0.000 0.000 0.242 464 I C 1.859 177.978 176.117 0.003 0.000 1.088 464 I CA 1.255 62.571 61.300 0.028 0.000 1.357 464 I CB -0.348 37.680 38.000 0.047 0.000 1.051 464 I HN 0.021 nan 8.210 nan 0.000 0.409 465 V N 0.771 120.714 119.914 0.048 0.000 2.295 465 V HA -0.311 3.809 4.120 0.000 0.000 0.246 465 V C 2.681 178.815 176.094 0.066 0.000 1.049 465 V CA 2.472 64.821 62.300 0.082 0.000 1.024 465 V CB -1.593 30.384 31.823 0.257 0.000 0.648 465 V HN 0.693 nan 8.190 nan 0.000 0.447 466 T N -1.104 113.474 114.554 0.040 0.000 2.821 466 T HA -0.114 4.236 4.350 0.000 0.000 0.267 466 T C 1.918 176.633 174.700 0.024 0.000 1.046 466 T CA 1.453 63.565 62.100 0.021 0.000 1.139 466 T CB -0.464 68.388 68.868 -0.027 0.000 0.871 466 T HN 0.458 nan 8.240 nan 0.000 0.454 467 A N 1.877 124.710 122.820 0.021 0.000 1.858 467 A HA 0.088 4.408 4.320 0.000 0.000 0.216 467 A C 2.400 179.997 177.584 0.021 0.000 1.190 467 A CA 1.491 53.543 52.037 0.025 0.000 0.617 467 A CB -0.961 18.061 19.000 0.036 0.000 0.827 467 A HN 0.560 nan 8.150 nan 0.000 0.443 468 I N -0.146 120.441 120.570 0.029 0.000 2.118 468 I HA -0.283 3.887 4.170 0.000 0.000 0.241 468 I C 2.639 178.807 176.117 0.083 0.000 1.070 468 I CA 1.449 62.789 61.300 0.067 0.000 1.327 468 I CB -0.623 37.409 38.000 0.053 0.000 1.034 468 I HN 0.413 nan 8.210 nan 0.000 0.405 469 G N -0.455 108.397 108.800 0.086 0.000 2.471 469 G HA2 -0.162 3.798 3.960 0.000 0.000 0.219 469 G HA3 -0.162 3.798 3.960 0.000 0.000 0.219 469 G C 1.393 176.356 174.900 0.105 0.000 1.125 469 G CA 0.370 45.540 45.100 0.116 0.000 0.775 469 G HN 0.322 nan 8.290 nan 0.000 0.548 470 Q N -0.148 119.683 119.800 0.053 0.000 2.198 470 Q HA 0.324 4.664 4.340 0.000 0.000 0.209 470 Q C 0.691 176.690 176.000 -0.002 0.000 0.848 470 Q CA -0.241 55.589 55.803 0.045 0.000 0.974 470 Q CB 0.479 29.242 28.738 0.041 0.000 1.115 470 Q HN 0.407 nan 8.270 nan 0.000 0.494 471 L N 0.937 122.069 121.223 -0.153 0.000 2.467 471 L HA 0.064 4.404 4.340 0.000 0.000 0.270 471 L C 0.902 177.700 176.870 -0.121 0.000 1.205 471 L CA 0.031 54.672 54.840 -0.332 0.000 0.828 471 L CB 0.213 41.763 42.059 -0.848 0.000 1.101 471 L HN 0.173 nan 8.230 nan 0.000 0.479 472 H N 3.385 122.414 119.070 -0.069 0.000 2.640 472 H HA 0.195 4.751 4.556 0.000 0.000 0.297 472 H C -0.800 174.622 175.328 0.156 0.000 1.073 472 H CA -0.975 55.115 56.048 0.070 0.000 1.305 472 H CB 1.354 31.133 29.762 0.029 0.000 1.404 472 H HN 0.405 nan 8.280 nan 0.000 0.459 473 M N 5.032 124.490 119.600 -0.237 0.000 2.105 473 M HA 0.286 4.766 4.480 0.000 0.000 0.350 473 M C -0.327 175.574 176.300 -0.664 0.000 1.308 473 M CA -0.276 54.850 55.300 -0.289 0.000 1.108 473 M CB 0.227 32.691 32.600 -0.226 0.000 1.622 473 M HN 0.636 nan 8.290 nan 0.000 0.468 474 A N 5.236 127.704 122.820 -0.587 0.000 2.498 474 A HA 0.446 4.766 4.320 0.000 0.000 0.239 474 A C -0.027 177.344 177.584 -0.356 0.000 1.068 474 A CA -0.233 51.524 52.037 -0.467 0.000 0.766 474 A CB 0.166 18.824 19.000 -0.569 0.000 1.003 474 A HN 0.837 nan 8.150 nan 0.000 0.497 475 R N 1.009 121.426 120.500 -0.139 0.000 2.490 475 R HA 0.594 4.934 4.340 0.000 0.000 0.278 475 R C 0.047 176.396 176.300 0.083 0.000 1.069 475 R CA 0.306 56.406 56.100 -0.000 0.000 1.080 475 R CB 1.063 31.397 30.300 0.058 0.000 1.030 475 R HN 0.690 nan 8.270 nan 0.000 0.491 476 S N 0.276 116.102 115.700 0.210 0.000 2.537 476 S HA 0.673 5.143 4.470 0.000 0.000 0.271 476 S C -1.553 173.317 174.600 0.450 0.000 1.148 476 S CA -0.666 57.750 58.200 0.359 0.000 0.868 476 S CB 1.185 64.656 63.200 0.452 0.000 1.115 476 S HN 0.507 nan 8.310 nan 0.000 0.461 477 S N 2.420 118.367 115.700 0.412 0.000 2.556 477 S HA 0.626 5.096 4.470 0.000 0.000 0.271 477 S C -1.699 173.075 174.600 0.290 0.000 1.135 477 S CA -1.047 57.345 58.200 0.319 0.000 0.858 477 S CB 1.848 65.208 63.200 0.267 0.000 1.114 477 S HN 0.644 nan 8.310 nan 0.000 0.468 478 K N 1.473 121.981 120.400 0.179 0.000 2.507 478 K HA 0.575 4.895 4.320 0.000 0.000 0.252 478 K C -1.542 175.064 176.600 0.011 0.000 0.943 478 K CA -0.637 55.700 56.287 0.082 0.000 0.808 478 K CB 2.188 34.774 32.500 0.144 0.000 1.142 478 K HN 0.355 nan 8.250 nan 0.000 0.426 479 V N 4.544 124.394 119.914 -0.107 0.000 2.370 479 V HA 0.465 4.585 4.120 0.000 0.000 0.279 479 V C -0.690 175.325 176.094 -0.131 0.000 1.029 479 V CA -0.524 61.752 62.300 -0.041 0.000 0.870 479 V CB 0.262 32.077 31.823 -0.014 0.000 0.984 479 V HN 0.560 nan 8.190 nan 0.000 0.451 480 F N 2.419 122.356 119.950 -0.023 0.000 2.579 480 F HA 0.898 5.425 4.527 0.000 0.000 0.324 480 F C 0.360 175.977 175.800 -0.304 0.000 1.058 480 F CA -0.382 57.398 58.000 -0.366 0.000 0.944 480 F CB 2.233 40.486 39.000 -1.246 0.000 1.245 480 F HN 0.603 nan 8.300 nan 0.000 0.477 481 A N 0.367 123.144 122.820 -0.072 0.000 2.593 481 A HA 0.793 5.113 4.320 0.000 0.000 0.290 481 A C -1.374 176.277 177.584 0.110 0.000 1.126 481 A CA -0.733 51.254 52.037 -0.084 0.000 0.695 481 A CB 1.303 20.059 19.000 -0.406 0.000 1.290 481 A HN 0.549 nan 8.150 nan 0.000 0.414 482 T N 0.651 115.266 114.554 0.102 0.000 2.771 482 T HA 0.577 4.927 4.350 0.000 0.000 0.281 482 T C -0.952 173.812 174.700 0.107 0.000 0.982 482 T CA -0.313 61.858 62.100 0.118 0.000 0.978 482 T CB 1.134 69.987 68.868 -0.026 0.000 0.930 482 T HN 1.119 nan 8.240 nan 0.000 0.447 483 V N 3.765 123.793 119.914 0.191 0.000 2.841 483 V HA 0.457 4.577 4.120 0.000 0.000 0.310 483 V C -0.703 175.539 176.094 0.246 0.000 1.090 483 V CA -1.140 61.271 62.300 0.185 0.000 0.930 483 V CB 2.028 33.930 31.823 0.131 0.000 1.014 483 V HN 0.807 nan 8.190 nan 0.000 0.425 484 K N 3.350 123.849 120.400 0.166 0.000 2.451 484 K HA 0.113 4.433 4.320 0.000 0.000 0.280 484 K C 1.168 177.765 176.600 -0.004 0.000 1.020 484 K CA 0.445 56.726 56.287 -0.009 0.000 1.008 484 K CB 0.703 33.159 32.500 -0.074 0.000 0.917 484 K HN 0.833 nan 8.250 nan 0.000 0.478 485 T N 1.924 116.451 114.554 -0.045 0.000 2.759 485 T HA -0.216 4.134 4.350 0.000 0.000 0.269 485 T C 1.813 176.488 174.700 -0.041 0.000 1.042 485 T CA 1.645 63.734 62.100 -0.020 0.000 1.140 485 T CB -0.080 68.769 68.868 -0.032 0.000 0.864 485 T HN 0.747 nan 8.240 nan 0.000 0.455 486 A N 1.205 123.980 122.820 -0.074 0.000 2.178 486 A HA 0.232 4.552 4.320 0.000 0.000 0.218 486 A C 2.553 180.086 177.584 -0.085 0.000 1.157 486 A CA 1.416 53.404 52.037 -0.082 0.000 0.689 486 A CB -0.848 18.098 19.000 -0.091 0.000 0.787 486 A HN 0.514 nan 8.150 nan 0.000 0.465 487 A N -0.123 122.665 122.820 -0.053 0.000 2.024 487 A HA -0.039 4.281 4.320 0.000 0.000 0.220 487 A C 1.917 179.428 177.584 -0.121 0.000 1.164 487 A CA 1.319 53.324 52.037 -0.054 0.000 0.643 487 A CB -0.510 18.514 19.000 0.040 0.000 0.806 487 A HN 0.510 nan 8.150 nan 0.000 0.451 488 L N -0.526 120.651 121.223 -0.076 0.000 2.465 488 L HA -0.075 4.265 4.340 0.000 0.000 0.224 488 L C 0.741 177.505 176.870 -0.177 0.000 1.145 488 L CA 0.601 55.389 54.840 -0.087 0.000 0.834 488 L CB -0.210 41.833 42.059 -0.027 0.000 0.944 488 L HN 0.263 nan 8.230 nan 0.000 0.451 489 D N -1.226 119.057 120.400 -0.195 0.000 2.363 489 D HA 0.028 4.668 4.640 0.000 0.000 0.214 489 D C 0.739 176.857 176.300 -0.303 0.000 1.093 489 D CA 0.115 53.991 54.000 -0.206 0.000 0.837 489 D CB 0.251 40.962 40.800 -0.147 0.000 0.948 489 D HN 0.216 nan 8.370 nan 0.000 0.507 490 Q N 1.234 120.754 119.800 -0.467 0.000 2.395 490 Q HA 0.027 4.367 4.340 0.000 0.000 0.271 490 Q C -1.324 174.246 176.000 -0.717 0.000 1.026 490 Q CA -0.797 54.572 55.803 -0.723 0.000 0.900 490 Q CB 0.931 28.825 28.738 -1.407 0.000 1.266 490 Q HN 0.078 nan 8.270 nan 0.000 0.430 491 P HA -0.121 nan 4.420 nan 0.000 0.223 491 P C 0.810 177.960 177.300 -0.249 0.000 1.151 491 P CA 1.323 64.237 63.100 -0.312 0.000 0.787 491 P CB -0.108 31.511 31.700 -0.136 0.000 0.788 492 W N -0.356 120.916 121.300 -0.048 0.000 3.180 492 W HA 0.267 4.927 4.660 0.000 0.000 0.254 492 W C -0.449 175.950 176.519 -0.199 0.000 1.318 492 W CA -0.364 56.947 57.345 -0.057 0.000 1.608 492 W CB -0.781 28.716 29.460 0.063 0.000 1.124 492 W HN -0.345 nan 8.180 nan 0.000 0.694 493 V N 4.570 124.266 119.914 -0.362 0.000 2.408 493 V HA 0.128 4.248 4.120 0.000 0.000 0.267 493 V C -1.673 174.066 176.094 -0.592 0.000 1.047 493 V CA -1.475 60.497 62.300 -0.547 0.000 0.937 493 V CB 0.360 31.948 31.823 -0.391 0.000 0.999 493 V HN -0.289 nan 8.190 nan 0.000 0.472 494 P HA 0.241 nan 4.420 nan 0.000 0.269 494 P C -0.708 176.413 177.300 -0.298 0.000 1.215 494 P CA -0.180 62.624 63.100 -0.494 0.000 0.780 494 P CB 0.462 31.857 31.700 -0.509 0.000 0.898 495 Q N 0.155 119.860 119.800 -0.158 0.000 2.456 495 Q HA 0.543 4.883 4.340 0.000 0.000 0.283 495 Q C -1.610 174.427 176.000 0.062 0.000 1.084 495 Q CA -0.632 55.135 55.803 -0.060 0.000 0.801 495 Q CB 2.507 31.196 28.738 -0.082 0.000 1.434 495 Q HN 0.467 nan 8.270 nan 0.000 0.419 496 W N 2.188 123.426 121.300 -0.103 0.000 2.554 496 W HA 0.399 5.059 4.660 0.000 0.000 0.324 496 W C -0.388 176.096 176.519 -0.059 0.000 1.018 496 W CA -0.492 56.809 57.345 -0.072 0.000 1.243 496 W CB 0.923 30.340 29.460 -0.072 0.000 1.345 496 W HN 0.741 nan 8.180 nan 0.000 0.441 497 R N 4.679 124.841 120.500 -0.563 0.000 3.416 497 R HA -0.213 4.127 4.340 0.000 0.000 0.263 497 R C 1.094 177.208 176.300 -0.309 0.000 1.053 497 R CA 1.334 57.075 56.100 -0.598 0.000 0.705 497 R CB -1.748 27.859 30.300 -1.154 0.000 1.124 497 R HN 1.432 nan 8.270 nan 0.000 0.444 498 G N -0.315 108.377 108.800 -0.178 0.000 2.176 498 G HA2 -0.367 3.593 3.960 0.000 0.000 0.253 498 G HA3 -0.367 3.593 3.960 0.000 0.000 0.253 498 G C -0.111 174.749 174.900 -0.066 0.000 0.979 498 G CA 0.430 45.461 45.100 -0.115 0.000 0.641 498 G HN 0.529 nan 8.290 nan 0.000 0.530 499 E N 1.485 121.677 120.200 -0.014 0.000 2.158 499 E HA 0.548 4.898 4.350 0.000 0.000 0.271 499 E C -2.477 174.139 176.600 0.025 0.000 0.911 499 E CA -2.553 53.864 56.400 0.029 0.000 0.767 499 E CB 2.106 31.873 29.700 0.112 0.000 1.120 499 E HN 0.124 nan 8.360 nan 0.000 0.405 500 P HA 0.023 nan 4.420 nan 0.000 0.269 500 P C -0.109 177.172 177.300 -0.032 0.000 1.215 500 P CA 0.139 63.204 63.100 -0.058 0.000 0.780 500 P CB 0.514 32.174 31.700 -0.066 0.000 0.898 501 I N 2.390 122.920 120.570 -0.067 0.000 2.683 501 I HA -0.082 4.088 4.170 0.000 0.000 0.286 501 I C 1.373 177.523 176.117 0.056 0.000 1.175 501 I CA 0.949 62.236 61.300 -0.022 0.000 1.429 501 I CB 0.026 38.026 38.000 -0.001 0.000 1.371 501 I HN 0.376 nan 8.210 nan 0.000 0.569 502 K N 4.753 125.162 120.400 0.014 0.000 2.477 502 K HA 0.439 4.759 4.320 0.000 0.000 0.208 502 K C -0.373 176.223 176.600 -0.007 0.000 1.117 502 K CA -0.112 56.198 56.287 0.038 0.000 1.039 502 K CB 1.246 33.760 32.500 0.023 0.000 0.937 502 K HN 0.661 nan 8.250 nan 0.000 0.570 503 A N 0.885 123.643 122.820 -0.104 0.000 2.455 503 A HA 0.675 4.995 4.320 0.000 0.000 0.300 503 A C -1.281 176.133 177.584 -0.283 0.000 1.040 503 A CA -0.608 51.272 52.037 -0.261 0.000 0.697 503 A CB 1.628 20.475 19.000 -0.256 0.000 1.265 503 A HN -0.060 nan 8.150 nan 0.000 0.407 504 V N 2.350 122.018 119.914 -0.410 0.000 2.569 504 V HA 0.477 4.597 4.120 0.000 0.000 0.301 504 V C -0.700 175.239 176.094 -0.259 0.000 1.044 504 V CA -0.553 61.520 62.300 -0.378 0.000 0.874 504 V CB 1.664 32.957 31.823 -0.884 0.000 1.002 504 V HN 0.714 nan 8.190 nan 0.000 0.424 505 V N 4.506 124.385 119.914 -0.059 0.000 2.384 505 V HA 0.814 4.934 4.120 0.000 0.000 0.287 505 V C 0.059 176.205 176.094 0.087 0.000 1.020 505 V CA -0.129 62.194 62.300 0.037 0.000 0.850 505 V CB 1.725 33.619 31.823 0.120 0.000 0.987 505 V HN 1.050 nan 8.190 nan 0.000 0.436 506 S N 1.756 117.478 115.700 0.036 0.000 2.579 506 S HA 0.457 4.927 4.470 0.000 0.000 0.272 506 S C -0.327 174.254 174.600 -0.031 0.000 1.141 506 S CA -0.615 57.567 58.200 -0.030 0.000 0.843 506 S CB 2.095 65.339 63.200 0.074 0.000 1.122 506 S HN 0.744 nan 8.310 nan 0.000 0.468 507 D N 0.547 120.884 120.400 -0.105 0.000 2.370 507 D HA 0.064 4.704 4.640 0.000 0.000 0.230 507 D C 1.353 177.589 176.300 -0.107 0.000 1.143 507 D CA 0.275 54.228 54.000 -0.077 0.000 0.834 507 D CB -0.349 40.398 40.800 -0.089 0.000 0.944 507 D HN 0.485 nan 8.370 nan 0.000 0.504 508 S N -1.141 114.507 115.700 -0.087 0.000 2.515 508 S HA 0.216 4.686 4.470 0.000 0.000 0.231 508 S C 1.873 176.476 174.600 0.006 0.000 0.987 508 S CA 0.573 58.742 58.200 -0.051 0.000 0.936 508 S CB -0.298 62.946 63.200 0.073 0.000 0.766 508 S HN 0.561 nan 8.310 nan 0.000 0.528 509 G N 1.029 109.836 108.800 0.012 0.000 2.259 509 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 509 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 509 G C 0.681 175.603 174.900 0.038 0.000 1.001 509 G CA 0.133 45.247 45.100 0.023 0.000 0.627 509 G HN 0.466 nan 8.290 nan 0.000 0.501 510 L N 0.485 121.746 121.223 0.063 0.000 2.217 510 L HA 0.350 4.690 4.340 0.000 0.000 0.211 510 L C 2.810 179.697 176.870 0.028 0.000 1.107 510 L CA 1.345 56.225 54.840 0.067 0.000 0.783 510 L CB -0.505 41.630 42.059 0.126 0.000 0.919 510 L HN 1.335 nan 8.230 nan 0.000 0.442 511 A N -0.157 122.671 122.820 0.014 0.000 1.282 511 A HA -0.294 4.026 4.320 0.000 0.000 0.224 511 A C 0.739 178.295 177.584 -0.047 0.000 0.457 511 A CA 1.366 53.385 52.037 -0.029 0.000 1.095 511 A CB -1.701 17.244 19.000 -0.092 0.000 1.470 511 A HN 0.751 nan 8.150 nan 0.000 0.723 512 A N -1.189 121.591 122.820 -0.068 0.000 2.459 512 A HA 0.740 5.060 4.320 0.000 0.000 0.296 512 A C -0.346 177.196 177.584 -0.070 0.000 1.039 512 A CA 0.777 52.749 52.037 -0.110 0.000 0.698 512 A CB 1.526 20.492 19.000 -0.057 0.000 1.261 512 A HN 1.694 nan 8.150 nan 0.000 0.405 513 S N 0.484 116.009 115.700 -0.291 0.000 2.541 513 S HA 0.824 5.294 4.470 0.000 0.000 0.280 513 S C -1.618 172.762 174.600 -0.367 0.000 1.112 513 S CA -0.354 57.776 58.200 -0.117 0.000 0.925 513 S CB 1.091 64.302 63.200 0.019 0.000 1.067 513 S HN 0.544 nan 8.310 nan 0.000 0.479 514 Y N -0.082 120.268 120.300 0.083 0.000 2.504 514 Y HA 0.531 5.081 4.550 0.000 0.000 0.344 514 Y C -0.621 175.345 175.900 0.110 0.000 1.023 514 Y CA -1.090 57.061 58.100 0.085 0.000 1.020 514 Y CB 1.601 40.127 38.460 0.110 0.000 1.282 514 Y HN 0.380 nan 8.280 nan 0.000 0.454 515 V N 4.048 124.104 119.914 0.236 0.000 2.284 515 V HA 0.365 4.485 4.120 0.000 0.000 0.274 515 V C -0.621 175.561 176.094 0.146 0.000 1.023 515 V CA -0.752 61.665 62.300 0.195 0.000 0.808 515 V CB 0.728 32.661 31.823 0.183 0.000 1.035 515 V HN 0.554 nan 8.190 nan 0.000 0.445 516 V N 7.535 127.544 119.914 0.158 0.000 2.394 516 V HA 0.393 4.513 4.120 0.000 0.000 0.282 516 V C -2.017 174.130 176.094 0.088 0.000 1.031 516 V CA -2.019 60.334 62.300 0.087 0.000 0.881 516 V CB 1.865 33.752 31.823 0.106 0.000 0.982 516 V HN 0.611 nan 8.190 nan 0.000 0.451 517 P HA 0.058 nan 4.420 nan 0.000 0.268 517 P C 0.027 177.364 177.300 0.062 0.000 1.205 517 P CA 0.139 63.269 63.100 0.050 0.000 0.771 517 P CB 0.564 32.276 31.700 0.019 0.000 0.858 518 S N 3.392 119.139 115.700 0.078 0.000 2.552 518 S HA 0.078 4.548 4.470 0.000 0.000 0.289 518 S C -1.278 173.347 174.600 0.041 0.000 1.304 518 S CA -0.845 57.396 58.200 0.068 0.000 1.063 518 S CB -0.375 62.878 63.200 0.089 0.000 0.848 518 S HN 0.340 nan 8.310 nan 0.000 0.499 519 P HA 0.211 nan 4.420 nan 0.000 0.255 519 P C -0.072 177.235 177.300 0.011 0.000 1.248 519 P CA 0.281 63.393 63.100 0.020 0.000 0.807 519 P CB -0.108 31.606 31.700 0.022 0.000 1.150 520 I N 0.762 121.339 120.570 0.012 0.000 2.241 520 I HA 0.246 4.416 4.170 0.000 0.000 0.294 520 I C 0.393 176.520 176.117 0.018 0.000 1.145 520 I CA -0.162 61.144 61.300 0.009 0.000 1.261 520 I CB 0.392 38.394 38.000 0.004 0.000 1.475 520 I HN -0.180 nan 8.210 nan 0.000 0.533 527 P HA 0.298 nan 4.420 nan 0.000 0.278 527 P C 0.561 177.827 177.300 -0.057 0.000 1.238 527 P CA -0.158 62.934 63.100 -0.013 0.000 0.794 527 P CB 1.391 33.105 31.700 0.025 0.000 0.955 528 E N 1.163 121.299 120.200 -0.107 0.000 2.118 528 E HA -0.166 4.184 4.350 0.000 0.000 0.195 528 E C -0.273 176.060 176.600 -0.446 0.000 0.992 528 E CA 1.100 57.312 56.400 -0.314 0.000 0.804 528 E CB -0.021 29.410 29.700 -0.448 0.000 0.741 528 E HN 0.494 nan 8.360 nan 0.000 0.458 529 Y N -0.797 119.505 120.300 0.003 0.000 2.549 529 Y HA 0.429 4.979 4.550 0.000 0.000 0.339 529 Y C -0.103 175.814 175.900 0.029 0.000 1.053 529 Y CA -0.919 57.190 58.100 0.014 0.000 1.105 529 Y CB 2.282 40.745 38.460 0.006 0.000 1.258 529 Y HN -0.245 nan 8.280 nan 0.000 0.478 530 S N -0.085 115.762 115.700 0.245 0.000 2.568 530 S HA 0.461 4.931 4.470 0.000 0.000 0.293 530 S C -1.044 173.691 174.600 0.226 0.000 1.089 530 S CA -0.996 57.316 58.200 0.186 0.000 0.945 530 S CB 1.568 64.854 63.200 0.143 0.000 1.077 530 S HN 0.503 nan 8.310 nan 0.000 0.485 531 S N 2.051 117.896 115.700 0.242 0.000 2.416 531 S HA 0.289 4.759 4.470 0.000 0.000 0.287 531 S C -0.289 174.497 174.600 0.310 0.000 1.139 531 S CA -0.447 57.963 58.200 0.350 0.000 1.058 531 S CB -0.097 63.349 63.200 0.409 0.000 0.967 531 S HN 0.549 nan 8.310 nan 0.000 0.495 532 L N 5.361 126.742 121.223 0.262 0.000 2.334 532 L HA 0.310 4.650 4.340 0.000 0.000 0.286 532 L C -0.455 176.489 176.870 0.124 0.000 1.108 532 L CA -0.642 54.315 54.840 0.195 0.000 0.875 532 L CB 0.347 42.498 42.059 0.155 0.000 1.246 532 L HN 0.503 nan 8.230 nan 0.000 0.439 533 L N 5.306 126.567 121.223 0.063 0.000 2.415 533 L HA 0.208 4.548 4.340 0.000 0.000 0.269 533 L C 1.209 178.055 176.870 -0.042 0.000 1.244 533 L CA 0.448 55.116 54.840 -0.287 0.000 1.113 533 L CB 0.470 42.374 42.059 -0.258 0.000 1.352 533 L HN 0.653 nan 8.230 nan 0.000 0.433 534 A N 2.660 125.462 122.820 -0.029 0.000 1.969 534 A HA 0.037 4.357 4.320 0.000 0.000 0.218 534 A C 1.158 178.775 177.584 0.056 0.000 1.169 534 A CA 1.183 53.257 52.037 0.061 0.000 0.635 534 A CB -0.133 18.902 19.000 0.058 0.000 0.810 534 A HN 0.657 nan 8.150 nan 0.000 0.445 535 S N -2.210 113.490 115.700 -0.000 0.000 2.626 535 S HA 0.478 4.948 4.470 0.000 0.000 0.275 535 S C -1.466 173.169 174.600 0.057 0.000 1.175 535 S CA -0.505 57.718 58.200 0.038 0.000 0.982 535 S CB 0.793 64.017 63.200 0.040 0.000 1.093 535 S HN 0.403 nan 8.310 nan 0.000 0.472 536 Y N 4.952 125.201 120.300 -0.085 0.000 2.376 536 Y HA 0.542 5.092 4.550 0.000 0.000 0.326 536 Y C -0.054 175.666 175.900 -0.299 0.000 0.970 536 Y CA -0.585 57.424 58.100 -0.152 0.000 1.248 536 Y CB 1.003 39.397 38.460 -0.111 0.000 1.117 536 Y HN 0.737 nan 8.280 nan 0.000 0.476 537 T N 2.253 116.700 114.554 -0.177 0.000 2.912 537 T HA 0.520 4.870 4.350 0.000 0.000 0.288 537 T C -1.051 173.452 174.700 -0.329 0.000 1.030 537 T CA -0.641 61.271 62.100 -0.314 0.000 1.020 537 T CB 1.589 70.446 68.868 -0.019 0.000 1.056 537 T HN 0.532 nan 8.240 nan 0.000 0.480 538 W N 1.141 122.401 121.300 -0.067 0.000 2.761 538 W HA 0.503 5.163 4.660 0.000 0.000 0.340 538 W C 0.560 177.058 176.519 -0.034 0.000 1.072 538 W CA -0.511 56.789 57.345 -0.074 0.000 1.215 538 W CB 0.890 30.268 29.460 -0.138 0.000 1.420 538 W HN 0.906 nan 8.180 nan 0.000 0.519 539 E N 0.311 120.633 120.200 0.204 0.000 3.259 539 E HA -0.302 4.048 4.350 0.000 0.000 0.332 539 E C 0.856 177.522 176.600 0.110 0.000 1.477 539 E CA 1.906 58.388 56.400 0.137 0.000 1.742 539 E CB -1.019 28.757 29.700 0.127 0.000 1.842 539 E HN 0.413 nan 8.360 nan 0.000 0.499 540 D N 1.293 121.747 120.400 0.091 0.000 2.218 540 D HA -0.086 4.554 4.640 0.000 0.000 0.204 540 D C 1.411 177.746 176.300 0.059 0.000 0.976 540 D CA 1.269 55.309 54.000 0.067 0.000 0.853 540 D CB -0.414 40.419 40.800 0.055 0.000 0.939 540 D HN 0.237 nan 8.370 nan 0.000 0.481 541 D N -0.158 120.282 120.400 0.066 0.000 2.149 541 D HA -0.129 4.511 4.640 0.000 0.000 0.198 541 D C 1.969 178.302 176.300 0.055 0.000 0.990 541 D CA 0.845 54.874 54.000 0.048 0.000 0.839 541 D CB -0.245 40.572 40.800 0.029 0.000 0.948 541 D HN 0.077 nan 8.370 nan 0.000 0.460 542 S N -0.488 115.263 115.700 0.084 0.000 2.357 542 S HA -0.113 4.357 4.470 0.000 0.000 0.221 542 S C 1.985 176.617 174.600 0.053 0.000 1.031 542 S CA 1.627 59.898 58.200 0.118 0.000 0.982 542 S CB -0.328 62.973 63.200 0.168 0.000 0.853 542 S HN 0.176 nan 8.310 nan 0.000 0.458 543 T N 2.347 116.927 114.554 0.043 0.000 2.699 543 T HA -0.113 4.237 4.350 0.000 0.000 0.268 543 T C 1.880 176.573 174.700 -0.012 0.000 1.036 543 T CA 1.531 63.636 62.100 0.009 0.000 1.147 543 T CB -0.324 68.560 68.868 0.026 0.000 0.862 543 T HN 0.442 nan 8.240 nan 0.000 0.446 544 R N 0.448 120.953 120.500 0.010 0.000 2.120 544 R HA 0.066 4.406 4.340 0.000 0.000 0.234 544 R C 2.258 178.553 176.300 -0.009 0.000 1.123 544 R CA 0.973 57.091 56.100 0.031 0.000 0.975 544 R CB -0.377 29.942 30.300 0.033 0.000 0.866 544 R HN 0.385 nan 8.270 nan 0.000 0.446 545 L N -0.471 120.675 121.223 -0.129 0.000 2.446 545 L HA 0.056 4.396 4.340 0.000 0.000 0.219 545 L C 2.464 178.855 176.870 -0.799 0.000 1.116 545 L CA 0.381 55.030 54.840 -0.320 0.000 0.844 545 L CB -0.214 41.798 42.059 -0.078 0.000 0.970 545 L HN 0.110 nan 8.230 nan 0.000 0.457 546 R N 0.500 120.563 120.500 -0.728 0.000 2.120 546 R HA -0.204 4.136 4.340 0.000 0.000 0.234 546 R C 2.413 178.359 176.300 -0.591 0.000 1.123 546 R CA 1.761 57.239 56.100 -1.036 0.000 0.975 546 R CB -0.234 29.843 30.300 -0.371 0.000 0.866 546 R HN 0.593 nan 8.270 nan 0.000 0.446 547 H N -1.596 117.308 119.070 -0.277 0.000 2.489 547 H HA -0.035 4.521 4.556 0.000 0.000 0.295 547 H C 0.844 176.143 175.328 -0.049 0.000 1.082 547 H CA 1.485 57.472 56.048 -0.102 0.000 1.295 547 H CB -0.113 29.600 29.762 -0.081 0.000 1.380 547 H HN 0.171 nan 8.280 nan 0.000 0.548 548 D N -0.232 119.845 120.400 -0.539 0.000 2.339 548 D HA 0.030 4.670 4.640 0.000 0.000 0.217 548 D C 1.095 177.397 176.300 0.004 0.000 1.050 548 D CA 0.125 53.979 54.000 -0.244 0.000 0.856 548 D CB -0.160 40.452 40.800 -0.315 0.000 0.922 548 D HN 0.517 nan 8.370 nan 0.000 0.518 549 F N 0.191 120.040 119.950 -0.167 0.000 2.367 549 F HA 0.045 4.572 4.527 0.000 0.000 0.298 549 F C 2.273 177.799 175.800 -0.456 0.000 1.094 549 F CA 0.234 58.025 58.000 -0.347 0.000 1.409 549 F CB 0.340 39.044 39.000 -0.494 0.000 1.064 549 F HN 0.104 nan 8.300 nan 0.000 0.528 550 G N 1.320 110.005 108.800 -0.191 0.000 3.329 550 G HA2 -0.324 3.636 3.960 0.000 0.000 0.220 550 G HA3 -0.324 3.636 3.960 0.000 0.000 0.220 550 G C 0.067 174.835 174.900 -0.220 0.000 1.358 550 G CA 0.238 45.263 45.100 -0.124 0.000 0.856 550 G HN 0.180 nan 8.290 nan 0.000 0.551 551 L N -0.237 120.715 121.223 -0.451 0.000 2.381 551 L HA 0.779 5.119 4.340 0.000 0.000 0.268 551 L C -1.006 175.506 176.870 -0.598 0.000 0.997 551 L CA -1.226 53.420 54.840 -0.324 0.000 0.818 551 L CB 2.139 44.090 42.059 -0.180 0.000 1.310 551 L HN 0.271 nan 8.230 nan 0.000 0.416 552 Y N 1.077 121.322 120.300 -0.093 0.000 2.457 552 Y HA 0.375 4.925 4.550 0.000 0.000 0.343 552 Y C -1.642 174.155 175.900 -0.170 0.000 0.994 552 Y CA -1.286 56.727 58.100 -0.145 0.000 1.031 552 Y CB 1.409 39.821 38.460 -0.080 0.000 1.246 552 Y HN 0.422 nan 8.280 nan 0.000 0.449 553 P HA -0.019 nan 4.420 nan 0.000 0.240 553 P C -0.441 176.399 177.300 -0.767 0.000 1.190 553 P CA 0.597 63.409 63.100 -0.479 0.000 0.781 553 P CB 1.003 32.260 31.700 -0.739 0.000 0.931 554 Q N 0.607 120.128 119.800 -0.465 0.000 2.340 554 Q HA 0.411 4.751 4.340 0.000 0.000 0.268 554 Q C -1.307 174.479 176.000 -0.356 0.000 1.031 554 Q CA -0.695 54.857 55.803 -0.418 0.000 0.804 554 Q CB 1.329 30.010 28.738 -0.094 0.000 1.286 554 Q HN -0.198 nan 8.270 nan 0.000 0.448 555 N N 4.837 123.267 118.700 -0.451 0.000 2.448 555 N HA 0.455 5.195 4.740 0.000 0.000 0.279 555 N C -2.804 172.549 175.510 -0.261 0.000 1.025 555 N CA -1.802 51.067 53.050 -0.302 0.000 0.898 555 N CB 2.010 40.319 38.487 -0.296 0.000 1.303 555 N HN 0.365 nan 8.380 nan 0.000 0.495 556 P HA 0.147 nan 4.420 nan 0.000 0.274 556 P C -0.120 177.152 177.300 -0.046 0.000 1.231 556 P CA -0.197 62.873 63.100 -0.050 0.000 0.790 556 P CB 1.209 32.914 31.700 0.007 0.000 0.951 557 A N 2.154 124.950 122.820 -0.040 0.000 2.072 557 A HA 0.073 4.393 4.320 0.000 0.000 0.216 557 A C 1.201 178.793 177.584 0.014 0.000 1.156 557 A CA 1.259 53.285 52.037 -0.017 0.000 0.701 557 A CB -1.043 17.945 19.000 -0.019 0.000 0.816 557 A HN 0.691 nan 8.150 nan 0.000 0.458 558 T N -3.796 110.766 114.554 0.013 0.000 2.936 558 T HA 0.436 4.786 4.350 0.000 0.000 0.282 558 T C 0.523 175.239 174.700 0.027 0.000 1.003 558 T CA -0.237 61.874 62.100 0.019 0.000 1.005 558 T CB 1.285 70.158 68.868 0.009 0.000 1.097 558 T HN 0.277 nan 8.240 nan 0.000 0.532 559 E N 0.132 120.346 120.200 0.023 0.000 2.208 559 E HA -0.061 4.289 4.350 0.000 0.000 0.193 559 E C 1.811 178.397 176.600 -0.024 0.000 0.988 559 E CA 1.473 57.882 56.400 0.014 0.000 0.828 559 E CB -0.062 29.657 29.700 0.032 0.000 0.763 559 E HN 0.900 nan 8.360 nan 0.000 0.478 560 T N -2.337 112.205 114.554 -0.020 0.000 3.069 560 T HA 0.199 4.549 4.350 0.000 0.000 0.252 560 T C 0.919 175.601 174.700 -0.031 0.000 1.053 560 T CA -0.020 62.056 62.100 -0.039 0.000 0.964 560 T CB 0.564 69.413 68.868 -0.032 0.000 1.005 560 T HN 0.039 nan 8.240 nan 0.000 0.532 561 G N 0.431 109.223 108.800 -0.014 0.000 2.616 561 G HA2 0.477 4.437 3.960 0.000 0.000 0.268 561 G HA3 0.477 4.437 3.960 0.000 0.000 0.268 561 G C -0.893 174.003 174.900 -0.007 0.000 1.213 561 G CA -0.302 44.791 45.100 -0.011 0.000 0.926 561 G HN 0.351 nan 8.290 nan 0.000 0.523 562 T N -1.647 112.902 114.554 -0.007 0.000 2.952 562 T HA 0.510 4.861 4.350 0.000 0.000 0.305 562 T C 0.053 174.751 174.700 -0.003 0.000 1.064 562 T CA 0.166 62.265 62.100 -0.002 0.000 1.008 562 T CB 1.231 70.086 68.868 -0.021 0.000 1.078 562 T HN 0.997 nan 8.240 nan 0.000 0.459 563 A N 3.659 126.482 122.820 0.005 0.000 3.135 563 A HA 0.284 4.604 4.320 0.000 0.000 0.253 563 A C 1.215 178.822 177.584 0.038 0.000 1.638 563 A CA -0.052 51.984 52.037 -0.002 0.000 1.295 563 A CB -0.844 18.137 19.000 -0.032 0.000 1.106 563 A HN 0.942 nan 8.150 nan 0.000 0.648 564 D N 1.255 121.672 120.400 0.028 0.000 2.097 564 D HA -0.085 4.555 4.640 0.000 0.000 0.197 564 D C 1.997 178.347 176.300 0.082 0.000 0.984 564 D CA 2.045 56.077 54.000 0.053 0.000 0.826 564 D CB -0.104 40.709 40.800 0.022 0.000 0.973 564 D HN 0.369 nan 8.370 nan 0.000 0.460 565 G N 0.578 109.406 108.800 0.047 0.000 2.418 565 G HA2 -0.273 3.687 3.960 0.000 0.000 0.217 565 G HA3 -0.273 3.687 3.960 0.000 0.000 0.217 565 G C 1.568 176.497 174.900 0.049 0.000 1.158 565 G CA 0.996 46.121 45.100 0.041 0.000 0.771 565 G HN 0.247 nan 8.290 nan 0.000 0.545 566 M N -0.290 119.339 119.600 0.049 0.000 2.080 566 M HA -0.123 4.357 4.480 0.000 0.000 0.260 566 M C 2.374 178.721 176.300 0.079 0.000 1.068 566 M CA 1.615 56.948 55.300 0.055 0.000 1.109 566 M CB -0.786 31.833 32.600 0.032 0.000 1.342 566 M HN 0.330 nan 8.290 nan 0.000 0.405 567 Y N 1.005 121.296 120.300 -0.015 0.000 2.242 567 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 567 Y C 2.291 178.181 175.900 -0.016 0.000 1.137 567 Y CA 1.933 60.023 58.100 -0.017 0.000 1.181 567 Y CB -0.289 38.159 38.460 -0.019 0.000 0.989 567 Y HN 0.289 nan 8.280 nan 0.000 0.527 568 R N -0.688 119.856 120.500 0.073 0.000 2.105 568 R HA -0.169 4.171 4.340 0.000 0.000 0.239 568 R C 2.414 178.684 176.300 -0.049 0.000 1.135 568 R CA 2.013 58.114 56.100 0.002 0.000 0.967 568 R CB -0.833 29.490 30.300 0.039 0.000 0.861 568 R HN 0.516 nan 8.270 nan 0.000 0.442 569 T N -1.256 113.278 114.554 -0.034 0.000 2.881 569 T HA -0.097 4.253 4.350 0.000 0.000 0.270 569 T C 1.827 176.491 174.700 -0.059 0.000 1.068 569 T CA 0.987 63.070 62.100 -0.029 0.000 1.131 569 T CB 0.007 68.863 68.868 -0.020 0.000 0.871 569 T HN -0.011 nan 8.240 nan 0.000 0.479 570 M N 0.877 120.393 119.600 -0.139 0.000 2.193 570 M HA 0.133 4.613 4.480 0.000 0.000 0.265 570 M C 2.553 178.733 176.300 -0.200 0.000 1.071 570 M CA 0.755 55.945 55.300 -0.184 0.000 1.140 570 M CB -1.333 31.092 32.600 -0.292 0.000 1.369 570 M HN 0.195 nan 8.290 nan 0.000 0.423 571 V N 1.395 121.124 119.914 -0.307 0.000 2.332 571 V HA -0.279 3.841 4.120 0.000 0.000 0.248 571 V C 2.202 178.358 176.094 0.103 0.000 1.055 571 V CA 2.169 64.376 62.300 -0.156 0.000 1.038 571 V CB -1.185 30.524 31.823 -0.189 0.000 0.651 571 V HN 0.473 nan 8.190 nan 0.000 0.450 572 N N -0.006 118.729 118.700 0.058 0.000 2.270 572 N HA -0.119 4.621 4.740 0.000 0.000 0.181 572 N C 1.926 177.505 175.510 0.116 0.000 1.016 572 N CA 1.094 54.206 53.050 0.104 0.000 0.870 572 N CB -0.158 38.356 38.487 0.045 0.000 0.979 572 N HN 0.387 nan 8.380 nan 0.000 0.431 573 R N -0.501 120.045 120.500 0.077 0.000 2.115 573 R HA 0.060 4.400 4.340 0.000 0.000 0.230 573 R C 1.732 178.121 176.300 0.147 0.000 1.111 573 R CA 1.156 57.306 56.100 0.083 0.000 0.976 573 R CB -0.164 30.170 30.300 0.056 0.000 0.870 573 R HN 0.201 nan 8.270 nan 0.000 0.445 574 A N -0.045 122.903 122.820 0.213 0.000 2.206 574 A HA -0.098 4.222 4.320 0.000 0.000 0.211 574 A C 0.464 178.248 177.584 0.333 0.000 1.158 574 A CA 0.110 52.380 52.037 0.387 0.000 0.761 574 A CB -0.184 18.966 19.000 0.250 0.000 0.801 574 A HN 0.339 nan 8.150 nan 0.000 0.473 575 Y N 1.890 122.194 120.300 0.006 0.000 2.570 575 Y HA 0.441 4.991 4.550 0.000 0.000 0.336 575 Y C 0.115 175.909 175.900 -0.176 0.000 1.284 575 Y CA -0.513 57.401 58.100 -0.311 0.000 1.761 575 Y CB -0.603 37.567 38.460 -0.483 0.000 1.724 575 Y HN 0.199 nan 8.280 nan 0.000 0.455 576 R N 2.872 123.141 120.500 -0.385 0.000 2.744 576 R HA 0.317 4.657 4.340 0.000 0.000 0.279 576 R C -1.718 174.330 176.300 -0.419 0.000 0.977 576 R CA -1.032 54.871 56.100 -0.328 0.000 0.906 576 R CB 1.617 31.757 30.300 -0.267 0.000 1.197 576 R HN 0.329 nan 8.270 nan 0.000 0.463 577 Y N 1.228 121.333 120.300 -0.326 0.000 2.436 577 Y HA 0.235 4.785 4.550 0.000 0.000 0.343 577 Y C 0.046 175.800 175.900 -0.244 0.000 1.008 577 Y CA -0.121 57.832 58.100 -0.245 0.000 1.241 577 Y CB 1.106 39.444 38.460 -0.203 0.000 1.153 577 Y HN 0.170 nan 8.280 nan 0.000 0.521 578 V N 4.745 124.558 119.914 -0.168 0.000 2.448 578 V HA 0.330 4.450 4.120 0.000 0.000 0.295 578 V C -0.442 175.508 176.094 -0.239 0.000 1.025 578 V CA -1.266 60.850 62.300 -0.306 0.000 0.859 578 V CB 1.730 33.264 31.823 -0.481 0.000 0.988 578 V HN 0.476 nan 8.190 nan 0.000 0.431 579 K N 4.670 124.903 120.400 -0.279 0.000 2.234 579 K HA 0.462 4.782 4.320 0.000 0.000 0.277 579 K C -1.370 175.047 176.600 -0.304 0.000 1.038 579 K CA -0.101 56.089 56.287 -0.160 0.000 0.888 579 K CB 0.396 32.845 32.500 -0.084 0.000 1.091 579 K HN 0.481 nan 8.250 nan 0.000 0.467 580 Y N 2.038 122.388 120.300 0.083 0.000 2.352 580 Y HA 0.487 5.037 4.550 0.000 0.000 0.326 580 Y C 0.672 176.623 175.900 0.086 0.000 1.166 580 Y CA -0.800 57.360 58.100 0.100 0.000 1.182 580 Y CB 1.530 40.067 38.460 0.128 0.000 1.216 580 Y HN 0.710 nan 8.280 nan 0.000 0.474 581 A N 1.410 124.366 122.820 0.227 0.000 2.540 581 A HA 0.404 4.724 4.320 0.000 0.000 0.239 581 A C 1.382 179.058 177.584 0.153 0.000 1.061 581 A CA 0.854 52.985 52.037 0.157 0.000 0.758 581 A CB -1.003 18.087 19.000 0.150 0.000 0.991 581 A HN 1.489 nan 8.150 nan 0.000 0.502 582 G N 0.759 109.628 108.800 0.114 0.000 2.268 582 G HA2 0.126 4.086 3.960 0.000 0.000 0.240 582 G HA3 0.126 4.086 3.960 0.000 0.000 0.240 582 G C 0.659 175.617 174.900 0.096 0.000 1.010 582 G CA 0.481 45.639 45.100 0.096 0.000 0.618 582 G HN 2.222 nan 8.290 nan 0.000 0.516 583 A N 0.423 123.317 122.820 0.123 0.000 2.371 583 A HA 0.778 5.098 4.320 0.000 0.000 0.257 583 A C 1.505 179.145 177.584 0.093 0.000 1.089 583 A CA 1.162 53.272 52.037 0.122 0.000 0.794 583 A CB 0.749 19.855 19.000 0.176 0.000 1.029 583 A HN 0.818 nan 8.150 nan 0.000 0.488 584 S N 1.116 116.865 115.700 0.081 0.000 2.371 584 S HA -0.001 4.469 4.470 0.000 0.000 0.224 584 S C 0.734 175.370 174.600 0.060 0.000 1.029 584 S CA 0.822 59.059 58.200 0.062 0.000 0.978 584 S CB -0.172 63.062 63.200 0.057 0.000 0.833 584 S HN 0.781 nan 8.310 nan 0.000 0.466 585 N N -0.206 118.541 118.700 0.079 0.000 2.242 585 N HA 0.512 5.252 4.740 0.000 0.000 0.292 585 N C -0.865 174.715 175.510 0.116 0.000 1.125 585 N CA -0.347 52.751 53.050 0.079 0.000 0.783 585 N CB 1.905 40.439 38.487 0.078 0.000 1.558 585 N HN 0.207 nan 8.380 nan 0.000 0.472 586 A N 1.253 124.140 122.820 0.111 0.000 2.507 586 A HA 0.201 4.521 4.320 0.000 0.000 0.235 586 A C -0.086 177.668 177.584 0.283 0.000 1.070 586 A CA 0.444 52.580 52.037 0.165 0.000 0.768 586 A CB 0.244 19.326 19.000 0.137 0.000 1.011 586 A HN 0.499 nan 8.150 nan 0.000 0.502 587 Q N 0.024 119.935 119.800 0.184 0.000 2.456 587 Q HA 0.457 4.797 4.340 0.000 0.000 0.283 587 Q C -2.822 172.948 176.000 -0.382 0.000 1.084 587 Q CA -2.061 53.759 55.803 0.028 0.000 0.801 587 Q CB 1.124 29.934 28.738 0.121 0.000 1.434 587 Q HN 0.416 nan 8.270 nan 0.000 0.419 588 P HA -0.064 nan 4.420 nan 0.000 0.265 588 P C -0.484 176.731 177.300 -0.143 0.000 1.193 588 P CA -0.118 62.538 63.100 -0.741 0.000 0.765 588 P CB 0.341 31.641 31.700 -0.667 0.000 0.823 589 W N 6.220 127.348 121.300 -0.287 0.000 2.409 589 W HA -0.072 4.588 4.660 0.000 0.000 0.338 589 W C 1.303 177.831 176.519 0.014 0.000 1.273 589 W CA -0.738 56.564 57.345 -0.071 0.000 1.299 589 W CB -0.204 29.172 29.460 -0.141 0.000 1.192 589 W HN 0.601 nan 8.180 nan 0.000 0.565 590 W N 5.510 126.964 121.300 0.256 0.000 2.364 590 W HA -0.266 4.394 4.660 0.000 0.000 0.281 590 W C 1.357 177.819 176.519 -0.095 0.000 1.219 590 W CA 0.961 58.341 57.345 0.060 0.000 1.220 590 W CB -1.641 27.955 29.460 0.227 0.000 1.127 590 W HN 0.427 nan 8.180 nan 0.000 0.556 591 F N 1.659 120.576 119.950 -1.722 0.000 2.293 591 F HA -0.130 4.397 4.527 0.000 0.000 0.300 591 F C 2.630 177.955 175.800 -0.792 0.000 1.086 591 F CA 1.090 58.042 58.000 -1.745 0.000 1.375 591 F CB -1.154 36.221 39.000 -2.709 0.000 1.045 591 F HN -0.061 nan 8.300 nan 0.000 0.516 592 Y N 1.153 121.093 120.300 -0.601 0.000 2.128 592 Y HA -0.314 4.236 4.550 0.000 0.000 0.284 592 Y C 2.339 178.027 175.900 -0.353 0.000 1.154 592 Y CA 2.332 60.225 58.100 -0.344 0.000 1.149 592 Y CB -0.780 37.640 38.460 -0.066 0.000 0.976 592 Y HN 0.202 nan 8.280 nan 0.000 0.505 593 Q N -0.447 119.070 119.800 -0.470 0.000 2.084 593 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 593 Q C 2.215 177.979 176.000 -0.393 0.000 0.978 593 Q CA 1.733 57.123 55.803 -0.689 0.000 0.844 593 Q CB -0.396 27.567 28.738 -1.292 0.000 0.898 593 Q HN 0.509 nan 8.270 nan 0.000 0.426 594 L N 0.704 121.832 121.223 -0.158 0.000 2.027 594 L HA -0.148 4.192 4.340 0.000 0.000 0.206 594 L C 1.980 178.733 176.870 -0.194 0.000 1.074 594 L CA 1.556 56.443 54.840 0.078 0.000 0.745 594 L CB -0.519 41.648 42.059 0.180 0.000 0.898 594 L HN 0.205 nan 8.230 nan 0.000 0.433 595 L N -0.523 120.384 121.223 -0.526 0.000 2.043 595 L HA -0.237 4.103 4.340 0.000 0.000 0.212 595 L C 2.570 179.371 176.870 -0.116 0.000 1.075 595 L CA 1.353 55.975 54.840 -0.365 0.000 0.752 595 L CB -0.975 40.744 42.059 -0.567 0.000 0.891 595 L HN 0.389 nan 8.230 nan 0.000 0.432 596 A N -0.867 121.797 122.820 -0.260 0.000 2.121 596 A HA -0.135 4.185 4.320 0.000 0.000 0.218 596 A C 2.088 179.632 177.584 -0.067 0.000 1.154 596 A CA 1.043 52.964 52.037 -0.194 0.000 0.679 596 A CB -0.250 18.495 19.000 -0.426 0.000 0.795 596 A HN 0.333 nan 8.150 nan 0.000 0.458 597 E N 0.359 120.548 120.200 -0.019 0.000 2.347 597 E HA 0.087 4.437 4.350 0.000 0.000 0.196 597 E C 1.055 177.682 176.600 0.046 0.000 1.008 597 E CA 0.608 57.040 56.400 0.053 0.000 0.852 597 E CB -0.493 29.291 29.700 0.141 0.000 0.783 597 E HN 0.584 nan 8.360 nan 0.000 0.505 598 A N 2.421 125.260 122.820 0.032 0.000 2.520 598 A HA 0.093 4.413 4.320 0.000 0.000 0.235 598 A C 0.649 178.208 177.584 -0.042 0.000 1.065 598 A CA -0.175 51.858 52.037 -0.008 0.000 0.764 598 A CB 0.001 18.944 19.000 -0.096 0.000 1.002 598 A HN 0.222 nan 8.150 nan 0.000 0.502 599 R N 1.336 121.817 120.500 -0.032 0.000 2.784 599 R HA 0.231 4.571 4.340 0.000 0.000 0.266 599 R C 0.551 176.794 176.300 -0.095 0.000 1.044 599 R CA 0.340 56.416 56.100 -0.040 0.000 1.151 599 R CB -0.224 30.065 30.300 -0.017 0.000 1.037 599 R HN 0.536 nan 8.270 nan 0.000 0.478 600 T N 1.133 115.647 114.554 -0.066 0.000 2.737 600 T HA -0.063 4.287 4.350 0.000 0.000 0.265 600 T C 0.993 175.643 174.700 -0.083 0.000 1.038 600 T CA 1.442 63.499 62.100 -0.072 0.000 1.144 600 T CB -0.222 68.623 68.868 -0.038 0.000 0.866 600 T HN 0.766 nan 8.240 nan 0.000 0.434 601 A N 1.569 124.346 122.820 -0.073 0.000 2.483 601 A HA 0.328 4.648 4.320 0.000 0.000 0.238 601 A C 0.582 178.117 177.584 -0.081 0.000 1.070 601 A CA -0.112 51.880 52.037 -0.075 0.000 0.770 601 A CB -0.162 18.787 19.000 -0.085 0.000 1.008 601 A HN 0.583 nan 8.150 nan 0.000 0.497 602 D N -0.672 119.696 120.400 -0.053 0.000 3.068 602 D HA -0.132 4.508 4.640 0.000 0.000 0.218 602 D C -0.061 176.288 176.300 0.082 0.000 1.145 602 D CA 1.249 55.247 54.000 -0.003 0.000 0.896 602 D CB -1.271 39.486 40.800 -0.072 0.000 1.105 602 D HN 0.757 nan 8.370 nan 0.000 0.423 603 R N -0.168 120.328 120.500 -0.007 0.000 2.438 603 R HA 0.592 4.932 4.340 0.000 0.000 0.287 603 R C 0.087 176.479 176.300 0.153 0.000 1.077 603 R CA 0.070 56.144 56.100 -0.043 0.000 1.034 603 R CB 0.659 30.841 30.300 -0.197 0.000 0.993 603 R HN 0.152 nan 8.270 nan 0.000 0.459 604 F N 2.002 121.946 119.950 -0.009 0.000 2.641 604 F HA 0.499 5.026 4.527 0.000 0.000 0.308 604 F C -1.700 174.088 175.800 -0.020 0.000 1.105 604 F CA -0.897 57.116 58.000 0.023 0.000 0.964 604 F CB 1.591 40.666 39.000 0.126 0.000 1.294 604 F HN 0.248 nan 8.300 nan 0.000 0.442 605 V N 6.233 125.805 119.914 -0.569 0.000 2.841 605 V HA 0.647 4.767 4.120 0.000 0.000 0.310 605 V C -2.175 173.336 176.094 -0.972 0.000 1.090 605 V CA -0.658 61.257 62.300 -0.642 0.000 0.930 605 V CB 2.082 33.444 31.823 -0.769 0.000 1.014 605 V HN 0.699 nan 8.190 nan 0.000 0.425 606 F N 4.594 124.119 119.950 -0.708 0.000 2.493 606 F HA 0.646 5.173 4.527 0.000 0.000 0.329 606 F C -0.573 174.941 175.800 -0.476 0.000 1.126 606 F CA -0.545 57.093 58.000 -0.605 0.000 0.937 606 F CB 1.778 40.533 39.000 -0.409 0.000 1.146 606 F HN 0.604 nan 8.300 nan 0.000 0.442 607 D N 4.776 124.598 120.400 -0.962 0.000 2.454 607 D HA 0.156 4.796 4.640 0.000 0.000 0.225 607 D C 0.211 176.245 176.300 -0.445 0.000 1.081 607 D CA -0.296 53.454 54.000 -0.417 0.000 0.864 607 D CB 0.488 41.255 40.800 -0.056 0.000 1.040 607 D HN 0.563 nan 8.370 nan 0.000 0.517 608 W N 1.990 123.333 121.300 0.072 0.000 2.421 608 W HA -0.113 4.547 4.660 0.000 0.000 0.270 608 W C 2.134 178.690 176.519 0.061 0.000 1.233 608 W CA 0.730 58.175 57.345 0.166 0.000 1.226 608 W CB -0.158 29.446 29.460 0.240 0.000 1.121 608 W HN 0.376 nan 8.180 nan 0.000 0.579 609 T N -1.192 113.487 114.554 0.208 0.000 2.821 609 T HA -0.182 4.168 4.350 0.000 0.000 0.267 609 T C 1.696 176.433 174.700 0.062 0.000 1.046 609 T CA 1.930 64.104 62.100 0.123 0.000 1.139 609 T CB -0.660 68.277 68.868 0.114 0.000 0.871 609 T HN 0.265 nan 8.240 nan 0.000 0.454 610 T N -0.875 113.692 114.554 0.021 0.000 3.086 610 T HA 0.190 4.540 4.350 0.000 0.000 0.250 610 T C 0.665 175.342 174.700 -0.039 0.000 1.074 610 T CA -0.444 61.649 62.100 -0.011 0.000 0.988 610 T CB -0.308 68.575 68.868 0.024 0.000 0.988 610 T HN 0.186 nan 8.240 nan 0.000 0.530 611 N N 1.390 120.066 118.700 -0.039 0.000 2.326 611 N HA 0.147 4.888 4.740 0.000 0.000 0.239 611 N C 1.007 176.583 175.510 0.109 0.000 1.301 611 N CA -0.124 52.967 53.050 0.068 0.000 0.909 611 N CB 0.618 39.255 38.487 0.251 0.000 1.156 611 N HN 0.074 nan 8.380 nan 0.000 0.462 612 K N -0.751 119.726 120.400 0.127 0.000 2.442 612 K HA -0.078 4.242 4.320 0.000 0.000 0.198 612 K C 1.281 177.936 176.600 0.092 0.000 1.042 612 K CA 1.306 57.650 56.287 0.094 0.000 0.958 612 K CB -0.176 32.378 32.500 0.091 0.000 0.766 612 K HN 0.749 nan 8.250 nan 0.000 0.474 613 T N -1.549 113.091 114.554 0.143 0.000 3.007 613 T HA 0.036 4.386 4.350 0.000 0.000 0.270 613 T C 1.081 175.791 174.700 0.015 0.000 1.107 613 T CA 0.521 62.672 62.100 0.085 0.000 1.118 613 T CB -0.254 68.713 68.868 0.165 0.000 0.889 613 T HN 0.198 nan 8.240 nan 0.000 0.506 614 A N 0.165 123.013 122.820 0.047 0.000 2.791 614 A HA 0.313 4.633 4.320 0.000 0.000 0.292 614 A C 1.053 178.629 177.584 -0.014 0.000 1.487 614 A CA 0.775 52.816 52.037 0.007 0.000 0.760 614 A CB -1.863 17.118 19.000 -0.031 0.000 1.031 614 A HN 2.224 nan 8.150 nan 0.000 0.503 615 G N -3.046 105.793 108.800 0.065 0.000 2.334 615 G HA2 0.492 4.452 3.960 0.000 0.000 0.315 615 G HA3 0.492 4.452 3.960 0.000 0.000 0.315 615 G C 0.880 175.828 174.900 0.080 0.000 1.284 615 G CA 0.741 45.870 45.100 0.048 0.000 0.985 615 G HN 1.780 nan 8.290 nan 0.000 0.504 616 G N -1.057 107.687 108.800 -0.093 0.000 2.437 616 G HA2 0.627 4.587 3.960 0.000 0.000 0.212 616 G HA3 0.627 4.587 3.960 0.000 0.000 0.212 616 G C 0.406 175.195 174.900 -0.184 0.000 1.174 616 G CA 1.653 46.621 45.100 -0.221 0.000 0.811 616 G HN 1.828 nan 8.290 nan 0.000 0.537 617 F N -2.559 117.298 119.950 -0.155 0.000 2.769 617 F HA 0.513 5.040 4.527 0.000 0.000 0.313 617 F C -0.715 175.014 175.800 -0.117 0.000 1.146 617 F CA -1.928 55.965 58.000 -0.178 0.000 0.934 617 F CB 0.930 39.780 39.000 -0.250 0.000 1.283 617 F HN -0.047 nan 8.300 nan 0.000 0.443 618 K N 2.139 122.638 120.400 0.165 0.000 2.412 618 K HA 0.588 4.908 4.320 0.000 0.000 0.281 618 K C -1.576 175.129 176.600 0.175 0.000 1.027 618 K CA -0.158 56.214 56.287 0.141 0.000 0.989 618 K CB 0.446 33.007 32.500 0.102 0.000 0.935 618 K HN 0.769 nan 8.250 nan 0.000 0.475 619 L N 3.743 125.069 121.223 0.171 0.000 2.410 619 L HA 0.277 4.617 4.340 0.000 0.000 0.270 619 L C -1.025 175.959 176.870 0.189 0.000 0.983 619 L CA -1.143 53.801 54.840 0.174 0.000 0.822 619 L CB 2.129 44.266 42.059 0.129 0.000 1.285 619 L HN 0.662 nan 8.230 nan 0.000 0.409 620 D N 3.656 124.131 120.400 0.125 0.000 2.312 620 D HA 0.342 4.982 4.640 0.000 0.000 0.252 620 D C 0.281 176.612 176.300 0.051 0.000 1.150 620 D CA -0.164 53.899 54.000 0.104 0.000 0.870 620 D CB 1.129 42.005 40.800 0.127 0.000 1.153 620 D HN 0.170 nan 8.370 nan 0.000 0.457 621 M N 0.597 120.201 119.600 0.006 0.000 2.103 621 M HA 0.124 4.604 4.480 0.000 0.000 0.291 621 M C 1.029 177.342 176.300 0.021 0.000 1.216 621 M CA -0.340 54.939 55.300 -0.035 0.000 1.132 621 M CB -0.299 32.244 32.600 -0.094 0.000 1.396 621 M HN 0.334 nan 8.290 nan 0.000 0.479 622 T N -1.448 113.114 114.554 0.012 0.000 2.934 622 T HA 0.359 4.709 4.350 0.000 0.000 0.306 622 T C 1.180 175.920 174.700 0.067 0.000 1.042 622 T CA 0.248 62.368 62.100 0.033 0.000 1.145 622 T CB 0.283 69.160 68.868 0.015 0.000 0.982 622 T HN 0.995 nan 8.240 nan 0.000 0.544 623 G N 2.569 111.440 108.800 0.118 0.000 2.212 623 G HA2 -0.277 3.683 3.960 0.000 0.000 0.266 623 G HA3 -0.277 3.683 3.960 0.000 0.000 0.266 623 G C 0.613 175.692 174.900 0.298 0.000 0.978 623 G CA 0.377 45.606 45.100 0.215 0.000 0.632 623 G HN 0.732 nan 8.290 nan 0.000 0.537 624 D N -0.575 119.934 120.400 0.182 0.000 2.317 624 D HA 0.100 4.740 4.640 0.000 0.000 0.211 624 D C 1.682 178.067 176.300 0.142 0.000 0.966 624 D CA 0.980 55.070 54.000 0.150 0.000 0.876 624 D CB -0.268 40.591 40.800 0.100 0.000 0.927 624 D HN 0.656 nan 8.370 nan 0.000 0.519 625 H N 0.669 119.753 119.070 0.023 0.000 2.321 625 H HA -0.189 4.367 4.556 0.000 0.000 0.295 625 H C 1.482 176.771 175.328 -0.065 0.000 1.102 625 H CA 2.215 58.215 56.048 -0.080 0.000 1.266 625 H CB -0.142 29.424 29.762 -0.325 0.000 1.363 625 H HN 0.277 nan 8.280 nan 0.000 0.492 626 H N -0.952 118.152 119.070 0.056 0.000 2.456 626 H HA -0.046 4.510 4.556 0.000 0.000 0.296 626 H C 2.202 177.528 175.328 -0.004 0.000 1.079 626 H CA 1.300 57.358 56.048 0.016 0.000 1.322 626 H CB -0.025 29.786 29.762 0.082 0.000 1.388 626 H HN 0.438 nan 8.280 nan 0.000 0.538 627 Q N 0.168 120.049 119.800 0.135 0.000 2.033 627 Q HA -0.073 4.267 4.340 0.000 0.000 0.196 627 Q C 2.629 178.653 176.000 0.041 0.000 0.970 627 Q CA 1.591 57.441 55.803 0.079 0.000 0.828 627 Q CB -0.038 28.737 28.738 0.062 0.000 0.895 627 Q HN 0.553 nan 8.270 nan 0.000 0.440 628 S N 0.340 116.043 115.700 0.005 0.000 2.383 628 S HA -0.149 4.321 4.470 0.000 0.000 0.227 628 S C 1.772 176.344 174.600 -0.046 0.000 1.026 628 S CA 1.263 59.445 58.200 -0.030 0.000 0.981 628 S CB -0.469 62.694 63.200 -0.062 0.000 0.818 628 S HN 0.391 nan 8.310 nan 0.000 0.472 629 N N 0.985 119.659 118.700 -0.043 0.000 2.244 629 N HA -0.077 4.663 4.740 0.000 0.000 0.183 629 N C 1.827 177.457 175.510 0.200 0.000 1.016 629 N CA 1.175 54.298 53.050 0.122 0.000 0.866 629 N CB -0.264 38.116 38.487 -0.178 0.000 0.980 629 N HN 0.406 nan 8.380 nan 0.000 0.430 630 L N 1.484 122.786 121.223 0.132 0.000 2.017 630 L HA -0.149 4.191 4.340 0.000 0.000 0.208 630 L C 2.484 179.478 176.870 0.207 0.000 1.073 630 L CA 1.618 56.555 54.840 0.162 0.000 0.745 630 L CB -0.931 41.205 42.059 0.127 0.000 0.894 630 L HN 0.220 nan 8.230 nan 0.000 0.432 631 C N -0.953 118.459 119.300 0.186 0.000 2.425 631 C HA -0.157 4.303 4.460 0.000 0.000 0.277 631 C C 2.566 177.759 174.990 0.339 0.000 1.280 631 C CA 0.675 59.821 59.018 0.213 0.000 1.744 631 C CB -1.428 26.459 27.740 0.246 0.000 1.989 631 C HN 0.685 nan 8.230 nan 0.000 0.491 632 F N 1.961 122.002 119.950 0.152 0.000 2.216 632 F HA -0.089 4.438 4.527 0.000 0.000 0.300 632 F C 2.372 178.386 175.800 0.357 0.000 1.085 632 F CA 1.482 59.593 58.000 0.185 0.000 1.326 632 F CB -0.322 38.697 39.000 0.031 0.000 1.027 632 F HN 0.139 nan 8.300 nan 0.000 0.497 633 R N -1.634 119.009 120.500 0.238 0.000 2.317 633 R HA -0.054 4.286 4.340 0.000 0.000 0.208 633 R C 1.743 178.053 176.300 0.018 0.000 0.914 633 R CA 0.305 56.440 56.100 0.058 0.000 1.060 633 R CB -0.581 29.776 30.300 0.094 0.000 1.015 633 R HN 0.391 nan 8.270 nan 0.000 0.498 634 Y N 2.533 122.903 120.300 0.117 0.000 2.193 634 Y HA -0.325 4.225 4.550 0.000 0.000 0.285 634 Y C 2.495 178.487 175.900 0.153 0.000 1.166 634 Y CA 2.126 60.307 58.100 0.135 0.000 1.181 634 Y CB -0.227 38.317 38.460 0.140 0.000 0.976 634 Y HN 0.243 nan 8.280 nan 0.000 0.520 635 H N -1.399 117.666 119.070 -0.008 0.000 2.543 635 H HA -0.072 4.484 4.556 0.000 0.000 0.286 635 H C 1.751 176.935 175.328 -0.240 0.000 1.037 635 H CA 1.447 57.451 56.048 -0.074 0.000 1.250 635 H CB -1.653 28.172 29.762 0.104 0.000 1.373 635 H HN 0.478 nan 8.280 nan 0.000 0.580 636 T N -0.390 113.751 114.554 -0.688 0.000 3.163 636 T HA -0.159 4.191 4.350 0.000 0.000 0.260 636 T C 1.620 176.165 174.700 -0.259 0.000 1.156 636 T CA 0.784 62.616 62.100 -0.447 0.000 1.072 636 T CB -0.909 67.734 68.868 -0.375 0.000 0.937 636 T HN 0.745 nan 8.240 nan 0.000 0.528 637 H N 1.109 120.027 119.070 -0.254 0.000 2.489 637 H HA 0.273 4.829 4.556 0.000 0.000 0.295 637 H C 2.140 177.413 175.328 -0.092 0.000 1.082 637 H CA 0.890 56.815 56.048 -0.205 0.000 1.295 637 H CB -0.903 28.645 29.762 -0.356 0.000 1.380 637 H HN 0.447 nan 8.280 nan 0.000 0.548 638 A N 1.373 124.005 122.820 -0.314 0.000 2.076 638 A HA -0.076 4.244 4.320 0.000 0.000 0.220 638 A C 2.343 179.919 177.584 -0.015 0.000 1.160 638 A CA 1.410 53.405 52.037 -0.070 0.000 0.653 638 A CB -0.885 18.069 19.000 -0.076 0.000 0.801 638 A HN 0.520 nan 8.150 nan 0.000 0.455 639 L N -0.929 120.266 121.223 -0.045 0.000 2.201 639 L HA -0.045 4.295 4.340 0.000 0.000 0.212 639 L C 1.645 178.515 176.870 0.000 0.000 1.105 639 L CA 0.472 55.296 54.840 -0.028 0.000 0.775 639 L CB -0.397 41.635 42.059 -0.045 0.000 0.913 639 L HN 0.390 nan 8.230 nan 0.000 0.440 640 A N -0.059 122.772 122.820 0.019 0.000 2.539 640 A HA 0.504 4.824 4.320 0.000 0.000 0.306 640 A C 1.280 178.885 177.584 0.034 0.000 1.392 640 A CA 0.354 52.405 52.037 0.023 0.000 1.060 640 A CB 0.440 19.455 19.000 0.024 0.000 1.134 640 A HN 0.288 nan 8.150 nan 0.000 0.542 641 A N 2.230 125.064 122.820 0.024 0.000 1.877 641 A HA -0.055 4.265 4.320 0.000 0.000 0.216 641 A C 2.298 179.896 177.584 0.024 0.000 1.186 641 A CA 2.149 54.205 52.037 0.032 0.000 0.620 641 A CB -0.612 18.403 19.000 0.024 0.000 0.822 641 A HN 0.704 nan 8.150 nan 0.000 0.443 642 S N -0.451 115.253 115.700 0.005 0.000 2.474 642 S HA -0.073 4.397 4.470 0.000 0.000 0.235 642 S C 1.718 176.294 174.600 -0.040 0.000 0.997 642 S CA 1.044 59.236 58.200 -0.014 0.000 0.949 642 S CB -0.332 62.857 63.200 -0.018 0.000 0.766 642 S HN 0.461 nan 8.310 nan 0.000 0.517 643 L N 2.466 123.668 121.223 -0.034 0.000 2.012 643 L HA -0.094 4.246 4.340 0.000 0.000 0.210 643 L C 0.625 177.433 176.870 -0.104 0.000 1.073 643 L CA 1.970 56.766 54.840 -0.073 0.000 0.748 643 L CB -0.597 41.437 42.059 -0.042 0.000 0.891 643 L HN 0.238 nan 8.230 nan 0.000 0.431 644 D N -0.443 119.945 120.400 -0.019 0.000 2.870 644 D HA -0.241 4.399 4.640 0.000 0.000 0.228 644 D C -0.190 176.107 176.300 -0.005 0.000 1.147 644 D CA 0.667 54.673 54.000 0.010 0.000 0.757 644 D CB -1.737 39.046 40.800 -0.027 0.000 1.091 644 D HN 0.569 nan 8.370 nan 0.000 0.429 645 N N 0.595 119.295 118.700 0.000 0.000 2.475 645 N HA 0.085 4.825 4.740 0.000 0.000 0.267 645 N C 0.690 176.370 175.510 0.283 0.000 1.169 645 N CA 0.116 53.172 53.050 0.011 0.000 0.947 645 N CB 0.602 38.870 38.487 -0.366 0.000 1.061 645 N HN 0.032 nan 8.380 nan 0.000 0.466 646 R N 2.770 123.568 120.500 0.497 0.000 2.393 646 R HA 0.202 4.542 4.340 0.000 0.000 0.244 646 R C -0.528 175.769 176.300 -0.005 0.000 0.920 646 R CA -0.038 56.240 56.100 0.296 0.000 1.076 646 R CB -0.391 29.945 30.300 0.060 0.000 1.119 646 R HN 0.434 nan 8.270 nan 0.000 0.524 647 F N 0.034 119.981 119.950 -0.005 0.000 2.458 647 F HA 0.447 4.974 4.527 0.000 0.000 0.336 647 F C 0.071 175.727 175.800 -0.241 0.000 1.114 647 F CA -0.890 57.089 58.000 -0.036 0.000 0.987 647 F CB 1.141 40.107 39.000 -0.057 0.000 1.130 647 F HN -0.241 nan 8.300 nan 0.000 0.458 648 F N 3.353 123.599 119.950 0.495 0.000 2.579 648 F HA 0.676 5.203 4.527 0.000 0.000 0.324 648 F C -0.030 175.962 175.800 0.320 0.000 1.058 648 F CA -1.311 56.977 58.000 0.481 0.000 0.944 648 F CB 1.808 40.966 39.000 0.264 0.000 1.245 648 F HN 0.234 nan 8.300 nan 0.000 0.477 649 I N 0.292 121.108 120.570 0.409 0.000 2.569 649 I HA 0.946 5.116 4.170 0.000 0.000 0.296 649 I C -1.167 175.143 176.117 0.321 0.000 1.028 649 I CA -0.945 60.459 61.300 0.174 0.000 1.082 649 I CB 2.109 39.905 38.000 -0.339 0.000 1.264 649 I HN 0.614 nan 8.210 nan 0.000 0.429 650 A N 4.154 127.202 122.820 0.379 0.000 2.768 650 A HA 0.702 5.022 4.320 0.000 0.000 0.299 650 A C -0.618 177.133 177.584 0.279 0.000 1.171 650 A CA -0.272 51.956 52.037 0.318 0.000 0.759 650 A CB 0.816 19.948 19.000 0.220 0.000 1.267 650 A HN 0.864 nan 8.150 nan 0.000 0.421 651 S N 0.843 116.676 115.700 0.222 0.000 2.587 651 S HA 0.462 4.932 4.470 0.000 0.000 0.269 651 S C 0.247 174.761 174.600 -0.143 0.000 1.154 651 S CA 0.236 58.411 58.200 -0.043 0.000 0.824 651 S CB 1.114 64.179 63.200 -0.225 0.000 1.118 651 S HN 0.824 nan 8.310 nan 0.000 0.462 652 D N 1.697 122.004 120.400 -0.156 0.000 2.263 652 D HA -0.051 4.589 4.640 0.000 0.000 0.208 652 D C 1.408 177.587 176.300 -0.202 0.000 0.971 652 D CA 1.396 55.311 54.000 -0.143 0.000 0.867 652 D CB -0.536 40.191 40.800 -0.123 0.000 0.929 652 D HN 0.261 nan 8.370 nan 0.000 0.492 653 S N -0.598 114.875 115.700 -0.379 0.000 2.442 653 S HA -0.133 4.337 4.470 0.000 0.000 0.236 653 S C 0.157 174.487 174.600 -0.450 0.000 1.007 653 S CA 0.527 58.473 58.200 -0.424 0.000 0.965 653 S CB -0.335 62.559 63.200 -0.509 0.000 0.773 653 S HN 0.396 nan 8.310 nan 0.000 0.504 654 Y N 1.601 121.938 120.300 0.062 0.000 2.781 654 Y HA 0.489 5.039 4.550 0.000 0.000 0.326 654 Y C 0.694 176.665 175.900 0.118 0.000 1.019 654 Y CA -1.304 56.843 58.100 0.079 0.000 1.372 654 Y CB -0.555 37.976 38.460 0.118 0.000 1.260 654 Y HN 0.139 nan 8.280 nan 0.000 0.546 655 S N -1.920 113.778 115.700 -0.004 0.000 2.685 655 S HA 0.437 4.907 4.470 0.000 0.000 0.282 655 S C -0.412 173.903 174.600 -0.476 0.000 1.159 655 S CA -0.779 57.333 58.200 -0.147 0.000 0.833 655 S CB 1.496 64.647 63.200 -0.081 0.000 1.151 655 S HN 0.307 nan 8.310 nan 0.000 0.485 656 H N 0.584 119.420 119.070 -0.389 0.000 2.503 656 H HA 0.466 5.022 4.556 0.000 0.000 0.296 656 H C -0.556 174.611 175.328 -0.268 0.000 1.097 656 H CA 0.043 55.909 56.048 -0.304 0.000 1.055 656 H CB -0.188 29.337 29.762 -0.395 0.000 1.580 656 H HN 0.371 nan 8.280 nan 0.000 0.546 657 L N 0.244 121.380 121.223 -0.145 0.000 2.980 657 L HA 0.279 4.619 4.340 0.000 0.000 0.314 657 L C 0.893 177.821 176.870 0.097 0.000 1.303 657 L CA -0.593 54.226 54.840 -0.034 0.000 0.785 657 L CB 1.117 43.011 42.059 -0.275 0.000 1.190 657 L HN 0.181 nan 8.230 nan 0.000 0.567 658 G N -0.745 108.075 108.800 0.034 0.000 2.353 658 G HA2 0.347 4.307 3.960 0.000 0.000 0.239 658 G HA3 0.347 4.307 3.960 0.000 0.000 0.239 658 G C 1.069 175.866 174.900 -0.173 0.000 1.295 658 G CA 0.889 45.984 45.100 -0.008 0.000 0.884 658 G HN 0.640 nan 8.290 nan 0.000 0.537 659 G N 0.499 109.043 108.800 -0.427 0.000 2.141 659 G HA2 -0.210 3.750 3.960 0.000 0.000 0.231 659 G HA3 -0.210 3.750 3.960 0.000 0.000 0.231 659 G C -0.058 173.992 174.900 -1.417 0.000 0.984 659 G CA 0.269 44.559 45.100 -1.351 0.000 0.660 659 G HN 0.828 nan 8.290 nan 0.000 0.525 660 W N -0.896 120.263 121.300 -0.235 0.000 3.022 660 W HA 0.651 5.311 4.660 0.000 0.000 0.335 660 W C 1.238 177.686 176.519 -0.118 0.000 1.133 660 W CA -1.128 56.172 57.345 -0.075 0.000 1.219 660 W CB 0.746 30.281 29.460 0.124 0.000 1.409 660 W HN -0.073 nan 8.180 nan 0.000 0.507 661 L N 1.003 122.293 121.223 0.111 0.000 2.081 661 L HA -0.267 4.073 4.340 0.000 0.000 0.212 661 L C 2.363 179.087 176.870 -0.243 0.000 1.080 661 L CA 1.680 56.358 54.840 -0.270 0.000 0.754 661 L CB -0.378 41.517 42.059 -0.273 0.000 0.893 661 L HN 0.610 nan 8.230 nan 0.000 0.433 662 E N 0.532 120.844 120.200 0.186 0.000 2.097 662 E HA -0.201 4.149 4.350 0.000 0.000 0.196 662 E C 2.094 178.728 176.600 0.056 0.000 1.000 662 E CA 1.609 58.153 56.400 0.240 0.000 0.804 662 E CB -0.374 29.519 29.700 0.322 0.000 0.740 662 E HN 0.408 nan 8.360 nan 0.000 0.454 663 G N -0.046 108.756 108.800 0.003 0.000 2.402 663 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 663 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 663 G C 1.696 176.580 174.900 -0.026 0.000 1.162 663 G CA 1.016 46.079 45.100 -0.063 0.000 0.777 663 G HN 0.446 nan 8.290 nan 0.000 0.539 664 A N 0.674 123.442 122.820 -0.086 0.000 1.883 664 A HA 0.062 4.382 4.320 0.000 0.000 0.217 664 A C 2.164 179.808 177.584 0.099 0.000 1.186 664 A CA 1.633 53.622 52.037 -0.081 0.000 0.624 664 A CB -0.582 18.271 19.000 -0.244 0.000 0.822 664 A HN 0.257 nan 8.150 nan 0.000 0.444 665 F N -0.451 119.557 119.950 0.097 0.000 2.146 665 F HA -0.090 4.438 4.527 0.000 0.000 0.298 665 F C 2.518 178.442 175.800 0.205 0.000 1.096 665 F CA 1.067 59.179 58.000 0.188 0.000 1.275 665 F CB -1.001 38.187 39.000 0.313 0.000 1.008 665 F HN 0.115 nan 8.300 nan 0.000 0.480 666 M N -0.877 118.893 119.600 0.283 0.000 2.117 666 M HA -0.220 4.260 4.480 0.000 0.000 0.262 666 M C 2.513 178.979 176.300 0.277 0.000 1.065 666 M CA 1.917 57.309 55.300 0.153 0.000 1.114 666 M CB -0.640 31.786 32.600 -0.291 0.000 1.361 666 M HN 0.144 nan 8.290 nan 0.000 0.408 667 S N 0.182 116.012 115.700 0.216 0.000 2.368 667 S HA -0.096 4.374 4.470 0.000 0.000 0.224 667 S C 1.987 176.693 174.600 0.176 0.000 1.029 667 S CA 1.298 59.622 58.200 0.207 0.000 0.988 667 S CB -0.182 63.154 63.200 0.227 0.000 0.838 667 S HN 0.485 nan 8.310 nan 0.000 0.462 668 A N 1.199 124.143 122.820 0.207 0.000 1.908 668 A HA -0.051 4.269 4.320 0.000 0.000 0.218 668 A C 2.138 179.801 177.584 0.131 0.000 1.181 668 A CA 1.689 53.832 52.037 0.178 0.000 0.627 668 A CB -0.917 18.210 19.000 0.211 0.000 0.818 668 A HN 0.539 nan 8.150 nan 0.000 0.445 669 L N 0.199 121.539 121.223 0.194 0.000 2.046 669 L HA -0.165 4.175 4.340 0.000 0.000 0.208 669 L C 2.056 178.907 176.870 -0.033 0.000 1.077 669 L CA 1.901 56.819 54.840 0.131 0.000 0.747 669 L CB -0.647 41.558 42.059 0.244 0.000 0.896 669 L HN 0.342 nan 8.230 nan 0.000 0.432 670 N N -0.162 118.489 118.700 -0.082 0.000 2.069 670 N HA -0.174 4.566 4.740 0.000 0.000 0.191 670 N C 1.841 177.132 175.510 -0.366 0.000 1.031 670 N CA 1.647 54.403 53.050 -0.489 0.000 0.852 670 N CB -0.578 37.413 38.487 -0.827 0.000 1.018 670 N HN 0.454 nan 8.380 nan 0.000 0.423 671 A N 0.563 123.304 122.820 -0.132 0.000 1.908 671 A HA -0.096 4.224 4.320 0.000 0.000 0.218 671 A C 2.498 179.905 177.584 -0.294 0.000 1.181 671 A CA 1.568 53.584 52.037 -0.034 0.000 0.627 671 A CB -0.791 18.286 19.000 0.128 0.000 0.818 671 A HN 0.127 nan 8.150 nan 0.000 0.445 672 V N -0.293 119.495 119.914 -0.211 0.000 2.379 672 V HA -0.170 3.950 4.120 0.000 0.000 0.245 672 V C 3.032 178.931 176.094 -0.325 0.000 1.044 672 V CA 1.686 63.827 62.300 -0.265 0.000 1.036 672 V CB -1.251 30.488 31.823 -0.140 0.000 0.664 672 V HN 0.612 nan 8.190 nan 0.000 0.453 673 A N 0.843 123.514 122.820 -0.248 0.000 1.883 673 A HA -0.138 4.182 4.320 0.000 0.000 0.217 673 A C 2.434 179.860 177.584 -0.264 0.000 1.186 673 A CA 2.129 54.037 52.037 -0.215 0.000 0.624 673 A CB -1.319 17.591 19.000 -0.149 0.000 0.822 673 A HN 0.520 nan 8.150 nan 0.000 0.444 674 G N -0.319 108.298 108.800 -0.306 0.000 2.418 674 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 674 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 674 G C 1.603 175.997 174.900 -0.844 0.000 1.158 674 G CA 1.030 45.887 45.100 -0.404 0.000 0.771 674 G HN 0.515 nan 8.290 nan 0.000 0.545 675 L N 0.120 120.530 121.223 -1.356 0.000 2.012 675 L HA -0.086 4.254 4.340 0.000 0.000 0.210 675 L C 2.815 179.280 176.870 -0.675 0.000 1.073 675 L CA 1.330 55.490 54.840 -1.134 0.000 0.748 675 L CB -0.203 41.290 42.059 -0.944 0.000 0.891 675 L HN 0.255 nan 8.230 nan 0.000 0.431 676 I N -1.240 119.032 120.570 -0.497 0.000 2.179 676 I HA -0.305 3.866 4.170 0.000 0.000 0.242 676 I C 2.394 178.370 176.117 -0.235 0.000 1.088 676 I CA 1.376 62.474 61.300 -0.336 0.000 1.357 676 I CB -0.370 37.478 38.000 -0.254 0.000 1.051 676 I HN 0.092 nan 8.210 nan 0.000 0.409 677 V N 0.876 120.669 119.914 -0.201 0.000 2.287 677 V HA -0.312 3.808 4.120 0.000 0.000 0.248 677 V C 2.630 178.689 176.094 -0.058 0.000 1.053 677 V CA 2.179 64.412 62.300 -0.112 0.000 1.027 677 V CB -0.817 30.947 31.823 -0.098 0.000 0.646 677 V HN 0.402 nan 8.190 nan 0.000 0.447 678 R N 1.285 121.759 120.500 -0.043 0.000 2.091 678 R HA -0.107 4.233 4.340 0.000 0.000 0.238 678 R C 2.124 178.492 176.300 0.114 0.000 1.136 678 R CA 2.007 58.170 56.100 0.105 0.000 0.959 678 R CB -1.070 29.416 30.300 0.310 0.000 0.856 678 R HN 0.439 nan 8.270 nan 0.000 0.437 679 A N 0.202 122.994 122.820 -0.047 0.000 2.070 679 A HA -0.079 4.241 4.320 0.000 0.000 0.220 679 A C 1.281 178.937 177.584 0.120 0.000 1.159 679 A CA 1.549 53.645 52.037 0.099 0.000 0.656 679 A CB -0.381 18.539 19.000 -0.134 0.000 0.800 679 A HN 0.483 nan 8.150 nan 0.000 0.453 680 N N -0.320 118.404 118.700 0.040 0.000 2.279 680 N HA 0.104 4.844 4.740 0.000 0.000 0.226 680 N C -0.602 174.934 175.510 0.044 0.000 1.126 680 N CA -0.050 53.022 53.050 0.037 0.000 0.846 680 N CB 0.202 38.687 38.487 -0.005 0.000 1.050 680 N HN 0.383 nan 8.380 nan 0.000 0.502 681 R N -0.119 120.424 120.500 0.072 0.000 3.333 681 R HA -0.225 4.115 4.340 0.000 0.000 0.256 681 R C 0.850 177.173 176.300 0.040 0.000 1.010 681 R CA 0.454 56.594 56.100 0.067 0.000 0.680 681 R CB -2.097 28.238 30.300 0.058 0.000 1.102 681 R HN 0.470 nan 8.270 nan 0.000 0.440 682 G N -0.386 108.432 108.800 0.030 0.000 2.175 682 G HA2 -0.311 3.649 3.960 0.000 0.000 0.244 682 G HA3 -0.311 3.649 3.960 0.000 0.000 0.244 682 G C -0.300 174.597 174.900 -0.005 0.000 0.982 682 G CA 0.118 45.225 45.100 0.011 0.000 0.641 682 G HN 0.515 nan 8.290 nan 0.000 0.527 683 D N 1.068 121.464 120.400 -0.006 0.000 2.365 683 D HA 0.419 5.059 4.640 0.000 0.000 0.237 683 D C 1.920 178.203 176.300 -0.028 0.000 1.190 683 D CA 0.235 54.227 54.000 -0.013 0.000 0.867 683 D CB 1.161 41.957 40.800 -0.006 0.000 1.050 683 D HN 0.625 nan 8.370 nan 0.000 0.491 684 V N 2.189 122.084 119.914 -0.032 0.000 2.970 684 V HA -0.117 4.003 4.120 0.000 0.000 0.260 684 V C 1.809 177.878 176.094 -0.041 0.000 1.100 684 V CA 1.588 63.863 62.300 -0.042 0.000 1.122 684 V CB -0.916 30.883 31.823 -0.041 0.000 0.721 684 V HN 0.522 nan 8.190 nan 0.000 0.483 685 S N 1.122 116.803 115.700 -0.032 0.000 2.507 685 S HA 0.138 4.608 4.470 0.000 0.000 0.235 685 S C 1.896 176.475 174.600 -0.035 0.000 0.988 685 S CA 0.949 59.131 58.200 -0.030 0.000 0.944 685 S CB -0.372 62.816 63.200 -0.021 0.000 0.762 685 S HN 1.032 nan 8.310 nan 0.000 0.526 686 A N 1.011 123.806 122.820 -0.041 0.000 2.119 686 A HA 0.380 4.700 4.320 0.000 0.000 0.217 686 A C 0.990 178.535 177.584 -0.065 0.000 1.153 686 A CA 0.158 52.165 52.037 -0.049 0.000 0.692 686 A CB -0.422 18.546 19.000 -0.053 0.000 0.799 686 A HN 0.580 nan 8.150 nan 0.000 0.458 687 L N 1.105 122.287 121.223 -0.070 0.000 2.436 687 L HA 0.206 4.546 4.340 0.000 0.000 0.265 687 L C 1.190 178.021 176.870 -0.065 0.000 1.168 687 L CA -0.438 54.355 54.840 -0.078 0.000 0.815 687 L CB 1.042 43.051 42.059 -0.084 0.000 1.109 687 L HN 0.411 nan 8.230 nan 0.000 0.462 688 S N 0.469 116.129 115.700 -0.067 0.000 2.569 688 S HA -0.043 4.427 4.470 0.000 0.000 0.274 688 S C 1.133 175.702 174.600 -0.053 0.000 1.353 688 S CA -0.109 58.058 58.200 -0.056 0.000 1.023 688 S CB 0.826 63.993 63.200 -0.055 0.000 0.876 688 S HN 0.690 nan 8.310 nan 0.000 0.540 689 T N 1.707 116.235 114.554 -0.043 0.000 2.699 689 T HA -0.111 4.239 4.350 0.000 0.000 0.268 689 T C 1.611 176.282 174.700 -0.047 0.000 1.036 689 T CA 1.769 63.846 62.100 -0.039 0.000 1.147 689 T CB -0.425 68.425 68.868 -0.030 0.000 0.862 689 T HN 0.673 nan 8.240 nan 0.000 0.446 690 E N 0.949 121.118 120.200 -0.052 0.000 2.152 690 E HA 0.101 4.451 4.350 0.000 0.000 0.192 690 E C 2.356 178.903 176.600 -0.089 0.000 0.983 690 E CA 0.889 57.252 56.400 -0.062 0.000 0.818 690 E CB -0.394 29.271 29.700 -0.058 0.000 0.758 690 E HN 0.545 nan 8.360 nan 0.000 0.467 691 A N 0.830 123.593 122.820 -0.095 0.000 2.030 691 A HA -0.027 4.293 4.320 0.000 0.000 0.215 691 A C 2.137 179.652 177.584 -0.115 0.000 1.164 691 A CA 0.739 52.700 52.037 -0.126 0.000 0.697 691 A CB -0.270 18.659 19.000 -0.119 0.000 0.827 691 A HN 0.080 nan 8.150 nan 0.000 0.457 692 R N 0.222 120.671 120.500 -0.085 0.000 2.119 692 R HA -0.153 4.187 4.340 0.000 0.000 0.246 692 R C -1.068 175.193 176.300 -0.066 0.000 1.146 692 R CA 2.186 58.244 56.100 -0.070 0.000 0.962 692 R CB -1.101 29.167 30.300 -0.053 0.000 0.863 692 R HN 0.372 nan 8.270 nan 0.000 0.442 693 P HA -0.116 nan 4.420 nan 0.000 0.225 693 P C 0.790 178.055 177.300 -0.059 0.000 1.148 693 P CA 1.008 64.078 63.100 -0.051 0.000 0.779 693 P CB -0.040 31.633 31.700 -0.044 0.000 0.780 694 L N -1.623 119.530 121.223 -0.117 0.000 2.127 694 L HA -0.167 4.173 4.340 0.000 0.000 0.211 694 L C 2.126 179.022 176.870 0.042 0.000 1.089 694 L CA 1.396 56.160 54.840 -0.126 0.000 0.757 694 L CB -0.745 41.176 42.059 -0.230 0.000 0.899 694 L HN -0.054 nan 8.230 nan 0.000 0.434 695 V N -0.213 119.700 119.914 -0.001 0.000 2.521 695 V HA -0.093 4.027 4.120 0.000 0.000 0.239 695 V C 1.919 177.980 176.094 -0.055 0.000 1.053 695 V CA 1.234 63.514 62.300 -0.034 0.000 1.073 695 V CB 0.208 31.997 31.823 -0.056 0.000 0.746 695 V HN 0.426 nan 8.190 nan 0.000 0.476 696 I N -0.855 119.693 120.570 -0.037 0.000 3.578 696 I HA 0.274 4.444 4.170 0.000 0.000 0.295 696 I C 1.797 177.912 176.117 -0.003 0.000 1.280 696 I CA 1.114 62.397 61.300 -0.027 0.000 1.347 696 I CB -0.464 37.520 38.000 -0.026 0.000 1.051 696 I HN 0.199 nan 8.210 nan 0.000 0.460 697 G N 1.983 110.789 108.800 0.011 0.000 2.985 697 G HA2 0.331 4.291 3.960 0.000 0.000 0.209 697 G HA3 0.331 4.291 3.960 0.000 0.000 0.209 697 G C 0.496 175.442 174.900 0.077 0.000 1.165 697 G CA -0.109 45.017 45.100 0.043 0.000 0.776 697 G HN 0.265 nan 8.290 nan 0.000 0.541 698 L N -0.463 120.795 121.223 0.058 0.000 2.333 698 L HA 0.518 4.858 4.340 0.000 0.000 0.269 698 L C 0.422 177.322 176.870 0.050 0.000 1.010 698 L CA -1.348 53.543 54.840 0.085 0.000 0.818 698 L CB 2.025 44.114 42.059 0.051 0.000 1.306 698 L HN -0.040 nan 8.230 nan 0.000 0.430 699 R N 2.836 123.386 120.500 0.083 0.000 2.522 699 R HA 0.174 4.514 4.340 0.000 0.000 0.284 699 R C -2.299 174.017 176.300 0.027 0.000 1.032 699 R CA -0.897 55.240 56.100 0.061 0.000 1.049 699 R CB 0.522 30.877 30.300 0.092 0.000 0.956 699 R HN 0.249 nan 8.270 nan 0.000 0.422 700 P HA -0.054 nan 4.420 nan 0.000 0.272 700 P C 0.483 177.784 177.300 0.002 0.000 1.223 700 P CA -0.127 62.959 63.100 -0.023 0.000 0.784 700 P CB 0.963 32.651 31.700 -0.021 0.000 0.923 701 V N 0.274 120.182 119.914 -0.010 0.000 3.406 701 V HA 0.033 4.153 4.120 0.000 0.000 0.263 701 V C 0.780 176.891 176.094 0.030 0.000 1.172 701 V CA 0.569 62.888 62.300 0.030 0.000 1.140 701 V CB -0.670 31.184 31.823 0.051 0.000 0.784 701 V HN 0.339 nan 8.190 nan 0.000 0.467 702 V N -1.104 118.818 119.914 0.014 0.000 2.334 702 V HA 0.517 4.637 4.120 0.000 0.000 0.281 702 V C 1.023 177.125 176.094 0.012 0.000 1.016 702 V CA -0.552 61.758 62.300 0.016 0.000 0.832 702 V CB 1.202 33.033 31.823 0.013 0.000 0.999 702 V HN 0.302 nan 8.190 nan 0.000 0.439 703 K N 3.496 123.906 120.400 0.017 0.000 2.186 703 K HA 0.173 4.493 4.320 0.000 0.000 0.202 703 K C 0.017 176.623 176.600 0.010 0.000 1.052 703 K CA 1.057 57.353 56.287 0.015 0.000 0.965 703 K CB 0.494 33.005 32.500 0.019 0.000 0.746 703 K HN 0.647 nan 8.250 nan 0.000 0.457 704 V N 3.677 123.597 119.914 0.010 0.000 2.686 704 V HA 0.312 4.432 4.120 0.000 0.000 0.306 704 V C -2.410 173.688 176.094 0.007 0.000 1.065 704 V CA -1.774 60.531 62.300 0.008 0.000 0.894 704 V CB 1.544 33.372 31.823 0.008 0.000 1.004 704 V HN 0.242 nan 8.190 nan 0.000 0.424 705 P HA 0.473 nan 4.420 nan 0.000 0.274 705 P C -0.365 176.937 177.300 0.003 0.000 1.237 705 P CA -0.174 62.928 63.100 0.003 0.000 0.793 705 P CB 1.116 32.817 31.700 0.001 0.000 0.977 706 A N 0.984 123.805 122.820 0.002 0.000 2.296 706 A HA 0.653 4.973 4.320 0.000 0.000 0.264 706 A C 0.152 177.734 177.584 -0.002 0.000 1.097 706 A CA 0.417 52.454 52.037 0.000 0.000 0.811 706 A CB -0.221 18.780 19.000 0.001 0.000 1.072 706 A HN 0.853 nan 8.150 nan 0.000 0.495 707 A N 0.000 122.817 122.820 -0.006 0.000 2.254 707 A HA 0.000 4.320 4.320 0.000 0.000 0.244 707 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 707 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 707 A HN 0.000 nan 8.150 nan 0.000 0.486