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 2xuj_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPPX XXXGNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSAFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.412 56.400 0.020 0.000 0.976 1 E CB 0.000 29.712 29.700 0.020 0.000 0.812 2 G N 3.740 112.551 108.800 0.018 0.000 3.178 2 G HA2 -0.207 3.759 3.960 0.009 0.000 0.200 2 G HA3 -0.207 3.759 3.960 0.009 0.000 0.200 2 G C 0.570 175.479 174.900 0.015 0.000 1.831 2 G CA 0.163 45.272 45.100 0.015 0.000 1.470 2 G HN 0.339 nan 8.290 nan 0.000 0.591 3 R N 1.718 122.227 120.500 0.016 0.000 2.404 3 R HA 0.317 4.663 4.340 0.009 0.000 0.237 3 R C 0.454 176.765 176.300 0.018 0.000 0.907 3 R CA 0.344 56.453 56.100 0.014 0.000 1.063 3 R CB 0.584 30.891 30.300 0.010 0.000 1.134 3 R HN 0.628 nan 8.270 nan 0.000 0.529 4 E N 1.147 121.361 120.200 0.023 0.000 2.314 4 E HA 0.046 4.401 4.350 0.009 0.000 0.262 4 E C -0.502 176.122 176.600 0.039 0.000 1.093 4 E CA -0.672 55.745 56.400 0.028 0.000 0.908 4 E CB 0.752 30.471 29.700 0.031 0.000 1.091 4 E HN -0.151 nan 8.360 nan 0.000 0.425 5 D N 2.408 122.839 120.400 0.051 0.000 2.389 5 D HA -0.022 4.624 4.640 0.009 0.000 0.263 5 D C -1.441 174.904 176.300 0.074 0.000 1.255 5 D CA -1.664 52.383 54.000 0.078 0.000 0.914 5 D CB 0.795 41.666 40.800 0.118 0.000 1.116 5 D HN 0.140 nan 8.370 nan 0.000 0.502 6 P HA -0.176 nan 4.420 nan 0.000 0.223 6 P C 1.045 178.367 177.300 0.037 0.000 1.144 6 P CA 0.781 63.902 63.100 0.035 0.000 0.783 6 P CB 0.436 32.143 31.700 0.012 0.000 0.771 7 Q N -0.510 119.309 119.800 0.033 0.000 2.472 7 Q HA 0.062 4.408 4.340 0.009 0.000 0.208 7 Q C 1.764 177.860 176.000 0.160 0.000 0.958 7 Q CA 0.751 56.559 55.803 0.008 0.000 0.932 7 Q CB -0.680 27.916 28.738 -0.237 0.000 1.007 7 Q HN 0.270 nan 8.270 nan 0.000 0.508 8 L N -0.488 120.841 121.223 0.177 0.000 2.693 8 L HA 0.269 4.614 4.340 0.009 0.000 0.235 8 L C -0.313 176.748 176.870 0.318 0.000 1.127 8 L CA -0.145 54.824 54.840 0.214 0.000 0.914 8 L CB 0.386 42.486 42.059 0.068 0.000 1.193 8 L HN 0.039 nan 8.230 nan 0.000 0.502 9 L N 1.151 122.503 121.223 0.215 0.000 2.262 9 L HA 0.492 4.837 4.340 0.009 0.000 0.288 9 L C -0.756 176.161 176.870 0.077 0.000 1.035 9 L CA -0.405 54.533 54.840 0.165 0.000 0.820 9 L CB 1.625 43.739 42.059 0.092 0.000 1.204 9 L HN -0.226 nan 8.230 nan 0.000 0.424 10 V N 3.410 123.339 119.914 0.026 0.000 2.709 10 V HA 0.455 4.581 4.120 0.009 0.000 0.308 10 V C -0.242 175.762 176.094 -0.149 0.000 1.062 10 V CA -0.741 61.418 62.300 -0.235 0.000 0.901 10 V CB 2.614 33.982 31.823 -0.759 0.000 1.003 10 V HN 0.717 nan 8.190 nan 0.000 0.425 11 R N 3.231 123.630 120.500 -0.169 0.000 2.255 11 R HA 0.710 5.055 4.340 0.009 0.000 0.326 11 R C -0.500 175.712 176.300 -0.146 0.000 0.986 11 R CA -0.307 55.735 56.100 -0.097 0.000 0.847 11 R CB 1.442 31.689 30.300 -0.087 0.000 1.111 11 R HN 0.715 nan 8.270 nan 0.000 0.452 12 V N 1.680 121.575 119.914 -0.031 0.000 3.406 12 V HA 0.429 4.555 4.120 0.009 0.000 0.305 12 V C 1.309 177.365 176.094 -0.064 0.000 1.136 12 V CA -0.838 61.453 62.300 -0.015 0.000 1.011 12 V CB 1.402 33.379 31.823 0.257 0.000 1.221 12 V HN 0.827 nan 8.190 nan 0.000 0.454 13 R N 0.130 120.585 120.500 -0.076 0.000 2.237 13 R HA 0.001 4.346 4.340 0.009 0.000 0.219 13 R C 1.746 177.930 176.300 -0.194 0.000 1.080 13 R CA 1.372 57.404 56.100 -0.114 0.000 0.995 13 R CB -0.591 29.657 30.300 -0.087 0.000 0.875 13 R HN 1.004 nan 8.270 nan 0.000 0.462 14 G N -0.947 107.668 108.800 -0.307 0.000 2.939 14 G HA2 0.302 4.267 3.960 0.009 0.000 0.210 14 G HA3 0.302 4.267 3.960 0.009 0.000 0.210 14 G C 0.333 174.236 174.900 -1.661 0.000 1.160 14 G CA 0.500 45.103 45.100 -0.828 0.000 0.770 14 G HN 0.591 nan 8.290 nan 0.000 0.543 15 G N -0.833 107.343 108.800 -1.040 0.000 2.325 15 G HA2 0.087 4.053 3.960 0.009 0.000 0.285 15 G HA3 0.087 4.053 3.960 0.009 0.000 0.285 15 G C -1.103 173.765 174.900 -0.053 0.000 1.303 15 G CA -0.995 43.658 45.100 -0.744 0.000 0.970 15 G HN 0.319 nan 8.290 nan 0.000 0.490 16 Q N -0.535 119.386 119.800 0.201 0.000 2.259 16 Q HA 0.688 5.033 4.340 0.009 0.000 0.246 16 Q C -0.364 175.919 176.000 0.472 0.000 0.920 16 Q CA -0.175 55.799 55.803 0.285 0.000 0.895 16 Q CB 1.659 30.502 28.738 0.175 0.000 1.220 16 Q HN 0.458 nan 8.270 nan 0.000 0.439 17 L N 1.383 122.809 121.223 0.339 0.000 2.362 17 L HA 0.588 4.934 4.340 0.009 0.000 0.271 17 L C -0.402 176.664 176.870 0.327 0.000 1.002 17 L CA -0.765 54.286 54.840 0.351 0.000 0.818 17 L CB 1.980 44.294 42.059 0.425 0.000 1.298 17 L HN 0.454 nan 8.230 nan 0.000 0.420 18 R N 0.969 121.622 120.500 0.255 0.000 2.295 18 R HA 0.645 4.990 4.340 0.009 0.000 0.324 18 R C -0.164 176.206 176.300 0.117 0.000 0.968 18 R CA -0.305 55.910 56.100 0.192 0.000 0.837 18 R CB 1.529 31.881 30.300 0.087 0.000 1.133 18 R HN 0.828 nan 8.270 nan 0.000 0.450 19 G N 3.354 112.122 108.800 -0.054 0.000 2.568 19 G HA2 0.461 4.427 3.960 0.009 0.000 0.293 19 G HA3 0.461 4.427 3.960 0.009 0.000 0.293 19 G C -1.006 173.645 174.900 -0.415 0.000 1.347 19 G CA -0.743 43.960 45.100 -0.661 0.000 1.039 19 G HN 0.606 nan 8.290 nan 0.000 0.523 20 I N -0.886 119.403 120.570 -0.469 0.000 2.608 20 I HA 0.532 4.707 4.170 0.009 0.000 0.295 20 I C -0.179 175.786 176.117 -0.254 0.000 1.049 20 I CA -1.189 59.940 61.300 -0.285 0.000 1.063 20 I CB 2.100 39.948 38.000 -0.252 0.000 1.248 20 I HN 0.429 nan 8.210 nan 0.000 0.424 21 R N 7.741 128.129 120.500 -0.187 0.000 2.202 21 R HA 0.543 4.888 4.340 0.009 0.000 0.334 21 R C -1.787 174.388 176.300 -0.208 0.000 1.036 21 R CA -0.398 55.569 56.100 -0.222 0.000 0.878 21 R CB 0.618 30.733 30.300 -0.308 0.000 1.067 21 R HN 0.653 nan 8.270 nan 0.000 0.457 22 L N 4.064 125.183 121.223 -0.175 0.000 2.334 22 L HA 0.454 4.800 4.340 0.009 0.000 0.273 22 L C -0.006 176.783 176.870 -0.135 0.000 1.013 22 L CA -0.999 53.763 54.840 -0.130 0.000 0.816 22 L CB 2.060 44.078 42.059 -0.069 0.000 1.278 22 L HN 0.499 nan 8.230 nan 0.000 0.431 23 K N 1.842 122.170 120.400 -0.120 0.000 2.339 23 K HA 0.532 4.858 4.320 0.009 0.000 0.286 23 K C -0.374 176.152 176.600 -0.124 0.000 1.050 23 K CA -0.221 56.001 56.287 -0.108 0.000 0.956 23 K CB 1.317 33.768 32.500 -0.082 0.000 0.990 23 K HN 0.657 nan 8.250 nan 0.000 0.475 24 A N 4.693 127.441 122.820 -0.120 0.000 2.288 24 A HA 0.470 4.796 4.320 0.009 0.000 0.328 24 A C -1.937 175.625 177.584 -0.037 0.000 1.123 24 A CA -1.627 50.321 52.037 -0.148 0.000 0.861 24 A CB 0.527 19.419 19.000 -0.178 0.000 1.272 24 A HN 0.462 nan 8.150 nan 0.000 0.490 25 P HA -0.106 nan 4.420 nan 0.000 0.215 25 P C 1.350 178.672 177.300 0.037 0.000 1.157 25 P CA 2.094 65.231 63.100 0.062 0.000 0.874 25 P CB 0.136 31.908 31.700 0.120 0.000 0.790 26 G N -2.159 106.665 108.800 0.041 0.000 2.920 26 G HA2 0.414 4.380 3.960 0.009 0.000 0.208 26 G HA3 0.414 4.380 3.960 0.009 0.000 0.208 26 G C 0.583 175.496 174.900 0.022 0.000 1.159 26 G CA 0.500 45.619 45.100 0.032 0.000 0.784 26 G HN 0.635 nan 8.290 nan 0.000 0.535 27 G N -0.503 108.301 108.800 0.007 0.000 2.346 27 G HA2 0.257 4.223 3.960 0.009 0.000 0.294 27 G HA3 0.257 4.223 3.960 0.009 0.000 0.294 27 G C -3.319 171.565 174.900 -0.026 0.000 1.294 27 G CA -0.617 44.481 45.100 -0.002 0.000 0.962 27 G HN 0.089 nan 8.290 nan 0.000 0.508 28 P HA 0.537 nan 4.420 nan 0.000 0.277 28 P C -0.012 177.277 177.300 -0.017 0.000 1.240 28 P CA -0.194 62.828 63.100 -0.131 0.000 0.798 28 P CB 1.589 33.074 31.700 -0.358 0.000 0.979 29 V N -1.293 118.606 119.914 -0.024 0.000 3.040 29 V HA 0.660 4.786 4.120 0.009 0.000 0.312 29 V C -0.261 175.905 176.094 0.120 0.000 1.115 29 V CA -0.910 61.463 62.300 0.121 0.000 0.998 29 V CB 1.744 33.655 31.823 0.147 0.000 1.042 29 V HN 0.432 nan 8.190 nan 0.000 0.433 30 S N 1.530 117.373 115.700 0.238 0.000 2.554 30 S HA 0.855 5.330 4.470 0.009 0.000 0.278 30 S C 0.035 174.637 174.600 0.002 0.000 1.242 30 S CA 0.029 58.314 58.200 0.141 0.000 1.051 30 S CB 1.323 64.709 63.200 0.311 0.000 0.986 30 S HN 1.588 nan 8.310 nan 0.000 0.502 31 A N 2.295 124.925 122.820 -0.318 0.000 2.374 31 A HA 0.779 5.104 4.320 0.009 0.000 0.305 31 A C -1.308 175.846 177.584 -0.718 0.000 1.053 31 A CA -0.632 51.103 52.037 -0.504 0.000 0.726 31 A CB 0.493 19.160 19.000 -0.555 0.000 1.229 31 A HN 0.673 nan 8.150 nan 0.000 0.431 32 F N 2.921 122.715 119.950 -0.261 0.000 2.359 32 F HA 0.429 4.961 4.527 0.009 0.000 0.370 32 F C -0.135 175.495 175.800 -0.284 0.000 1.077 32 F CA -0.302 57.618 58.000 -0.133 0.000 1.136 32 F CB 1.148 40.230 39.000 0.136 0.000 1.387 32 F HN 0.355 nan 8.300 nan 0.000 0.468 33 L N 2.103 123.161 121.223 -0.275 0.000 2.325 33 L HA 0.624 4.970 4.340 0.009 0.000 0.279 33 L C 1.065 177.834 176.870 -0.169 0.000 1.054 33 L CA -0.754 53.868 54.840 -0.364 0.000 0.804 33 L CB 1.488 43.122 42.059 -0.709 0.000 1.200 33 L HN 0.830 nan 8.230 nan 0.000 0.436 34 G N 3.187 111.957 108.800 -0.050 0.000 2.176 34 G HA2 -0.272 3.694 3.960 0.009 0.000 0.252 34 G HA3 -0.272 3.694 3.960 0.009 0.000 0.252 34 G C 0.031 174.985 174.900 0.090 0.000 1.024 34 G CA -0.314 44.782 45.100 -0.006 0.000 0.755 34 G HN 0.501 nan 8.290 nan 0.000 0.507 35 I N 2.305 122.914 120.570 0.065 0.000 2.598 35 I HA 0.198 4.373 4.170 0.009 0.000 0.284 35 I C -1.330 174.830 176.117 0.073 0.000 1.140 35 I CA -1.576 59.741 61.300 0.028 0.000 1.420 35 I CB 0.744 38.710 38.000 -0.057 0.000 1.387 35 I HN -0.002 nan 8.210 nan 0.000 0.553 36 P HA 0.118 nan 4.420 nan 0.000 0.286 36 P C -0.260 176.986 177.300 -0.090 0.000 1.269 36 P CA -0.185 62.795 63.100 -0.200 0.000 0.787 36 P CB 0.747 32.290 31.700 -0.262 0.000 0.920 37 F N 1.042 120.824 119.950 -0.280 0.000 2.724 37 F HA 0.690 5.222 4.527 0.010 0.000 0.306 37 F C 0.224 175.999 175.800 -0.042 0.000 1.100 37 F CA -0.520 57.381 58.000 -0.164 0.000 1.255 37 F CB 0.182 39.018 39.000 -0.274 0.000 1.072 37 F HN 0.276 nan 8.300 nan 0.000 0.589 38 A N 0.375 122.816 122.820 -0.632 0.000 2.479 38 A HA 0.571 4.896 4.320 0.009 0.000 0.296 38 A C -0.683 176.720 177.584 -0.301 0.000 1.121 38 A CA -0.779 51.015 52.037 -0.405 0.000 0.743 38 A CB 0.929 19.604 19.000 -0.541 0.000 1.323 38 A HN 0.092 nan 8.150 nan 0.000 0.415 39 E N 1.173 121.278 120.200 -0.158 0.000 2.384 39 E HA 0.218 4.573 4.350 0.009 0.000 0.266 39 E C -2.312 174.190 176.600 -0.163 0.000 1.012 39 E CA -1.324 55.006 56.400 -0.116 0.000 0.901 39 E CB 0.115 29.787 29.700 -0.048 0.000 0.967 39 E HN 0.217 nan 8.360 nan 0.000 0.435 40 P HA 0.003 nan 4.420 nan 0.000 0.258 40 P C -2.219 175.017 177.300 -0.107 0.000 1.187 40 P CA -0.790 62.225 63.100 -0.141 0.000 0.767 40 P CB -0.092 31.564 31.700 -0.073 0.000 0.770 41 P HA -0.006 nan 4.420 nan 0.000 0.225 41 P C -0.168 177.079 177.300 -0.089 0.000 1.768 41 P CA 0.151 63.194 63.100 -0.095 0.000 0.943 41 P CB -0.159 31.483 31.700 -0.097 0.000 1.936 42 V N -2.786 117.084 119.914 -0.074 0.000 3.096 42 V HA 0.897 5.023 4.120 0.009 0.000 0.319 42 V C 0.997 177.057 176.094 -0.058 0.000 1.103 42 V CA 0.106 62.364 62.300 -0.070 0.000 1.016 42 V CB 0.732 32.524 31.823 -0.052 0.000 1.090 42 V HN 0.531 nan 8.190 nan 0.000 0.449 43 G N 2.117 110.885 108.800 -0.054 0.000 2.622 43 G HA2 -0.349 3.617 3.960 0.009 0.000 0.307 43 G HA3 -0.349 3.617 3.960 0.009 0.000 0.307 43 G C 1.234 176.111 174.900 -0.037 0.000 1.226 43 G CA 1.772 46.851 45.100 -0.035 0.000 0.997 43 G HN 2.412 nan 8.290 nan 0.000 0.551 44 S N 0.293 115.984 115.700 -0.016 0.000 2.537 44 S HA 0.009 4.485 4.470 0.009 0.000 0.240 44 S C 1.901 176.498 174.600 -0.005 0.000 0.981 44 S CA 1.700 59.900 58.200 -0.000 0.000 0.948 44 S CB -0.072 63.134 63.200 0.010 0.000 0.759 44 S HN 0.679 nan 8.310 nan 0.000 0.531 45 R N 0.525 121.007 120.500 -0.030 0.000 2.334 45 R HA 0.260 4.605 4.340 0.009 0.000 0.216 45 R C 0.882 177.139 176.300 -0.070 0.000 0.905 45 R CA -0.280 55.801 56.100 -0.032 0.000 1.064 45 R CB 0.100 30.379 30.300 -0.035 0.000 1.046 45 R HN 0.378 nan 8.270 nan 0.000 0.508 46 R N 0.694 121.105 120.500 -0.149 0.000 2.623 46 R HA -0.104 4.242 4.340 0.009 0.000 0.271 46 R C -0.257 175.829 176.300 -0.355 0.000 1.043 46 R CA 0.537 56.413 56.100 -0.373 0.000 1.083 46 R CB 0.198 30.143 30.300 -0.591 0.000 0.974 46 R HN 0.082 nan 8.270 nan 0.000 0.436 47 F N -1.277 118.691 119.950 0.029 0.000 2.778 47 F HA -0.323 4.210 4.527 0.009 0.000 0.399 47 F C 0.232 176.028 175.800 -0.008 0.000 0.604 47 F CA 0.773 58.766 58.000 -0.012 0.000 1.106 47 F CB -1.852 37.128 39.000 -0.034 0.000 1.643 47 F HN 0.516 nan 8.300 nan 0.000 0.290 48 M N 1.447 121.111 119.600 0.107 0.000 2.314 48 M HA 0.483 4.969 4.480 0.009 0.000 0.342 48 M C -2.033 174.297 176.300 0.050 0.000 1.171 48 M CA -1.603 53.743 55.300 0.077 0.000 1.098 48 M CB 0.821 33.451 32.600 0.050 0.000 1.559 48 M HN -0.336 nan 8.290 nan 0.000 0.459 49 P HA 0.055 nan 4.420 nan 0.000 0.267 49 P C -2.603 174.725 177.300 0.046 0.000 1.201 49 P CA -0.534 62.602 63.100 0.060 0.000 0.775 49 P CB -0.523 31.222 31.700 0.075 0.000 0.854 50 P HA 0.138 nan 4.420 nan 0.000 0.271 50 P C -0.543 176.783 177.300 0.042 0.000 1.218 50 P CA 0.209 63.325 63.100 0.028 0.000 0.780 50 P CB 0.895 32.630 31.700 0.057 0.000 0.901 51 E N 3.066 123.273 120.200 0.013 0.000 2.179 51 E HA 0.334 4.690 4.350 0.009 0.000 0.275 51 E C -2.204 174.417 176.600 0.035 0.000 0.945 51 E CA -2.431 53.988 56.400 0.031 0.000 0.792 51 E CB 0.819 30.530 29.700 0.019 0.000 1.125 51 E HN 0.336 nan 8.360 nan 0.000 0.397 52 P HA -0.104 nan 4.420 nan 0.000 0.265 52 P C -0.744 176.611 177.300 0.093 0.000 1.187 52 P CA 0.057 63.227 63.100 0.116 0.000 0.766 52 P CB 0.375 32.151 31.700 0.128 0.000 0.820 53 K N 4.061 124.535 120.400 0.123 0.000 2.416 53 K HA 0.041 4.366 4.320 0.009 0.000 0.283 53 K C 0.079 176.777 176.600 0.164 0.000 1.037 53 K CA 0.362 56.725 56.287 0.126 0.000 0.995 53 K CB 0.092 32.699 32.500 0.178 0.000 0.938 53 K HN 0.266 nan 8.250 nan 0.000 0.475 54 R N 5.275 125.853 120.500 0.131 0.000 2.543 54 R HA 0.146 4.491 4.340 0.009 0.000 0.277 54 R C -1.989 174.400 176.300 0.149 0.000 1.074 54 R CA -1.636 54.530 56.100 0.110 0.000 1.076 54 R CB 0.141 30.489 30.300 0.082 0.000 0.993 54 R HN 0.592 nan 8.270 nan 0.000 0.459 55 P HA -0.090 nan 4.420 nan 0.000 0.267 55 P C -1.012 176.298 177.300 0.016 0.000 1.200 55 P CA 0.159 63.183 63.100 -0.126 0.000 0.772 55 P CB 0.307 31.891 31.700 -0.193 0.000 0.855 56 W N 1.325 122.660 121.300 0.060 0.000 2.594 56 W HA 0.720 5.385 4.660 0.009 0.000 0.365 56 W C -0.484 176.063 176.519 0.045 0.000 1.196 56 W CA -0.839 56.537 57.345 0.052 0.000 1.258 56 W CB -0.015 29.482 29.460 0.063 0.000 1.405 56 W HN 0.401 nan 8.180 nan 0.000 0.640 57 S N 0.680 116.550 115.700 0.283 0.000 2.648 57 S HA 0.868 5.344 4.470 0.009 0.000 0.305 57 S C 0.291 175.052 174.600 0.268 0.000 1.094 57 S CA -0.142 58.162 58.200 0.172 0.000 0.983 57 S CB 0.961 64.220 63.200 0.097 0.000 1.101 57 S HN 2.184 nan 8.310 nan 0.000 0.514 58 G N -0.208 108.699 108.800 0.178 0.000 2.698 58 G HA2 -0.128 3.838 3.960 0.009 0.000 0.233 58 G HA3 -0.128 3.838 3.960 0.009 0.000 0.233 58 G C -0.710 174.344 174.900 0.257 0.000 1.352 58 G CA -0.364 44.841 45.100 0.174 0.000 0.879 58 G HN 1.675 nan 8.290 nan 0.000 0.567 59 V N 0.921 120.951 119.914 0.193 0.000 2.348 59 V HA 0.479 4.604 4.120 0.009 0.000 0.270 59 V C 0.974 177.163 176.094 0.158 0.000 1.037 59 V CA -0.219 62.204 62.300 0.206 0.000 0.872 59 V CB 1.096 32.998 31.823 0.132 0.000 1.002 59 V HN 0.796 nan 8.190 nan 0.000 0.464 60 L N 4.823 126.148 121.223 0.170 0.000 2.410 60 L HA 0.241 4.586 4.340 0.009 0.000 0.273 60 L C 0.724 177.579 176.870 -0.025 0.000 1.144 60 L CA 0.159 54.942 54.840 -0.095 0.000 0.863 60 L CB 0.498 42.230 42.059 -0.545 0.000 1.140 60 L HN 0.693 nan 8.230 nan 0.000 0.463 61 D N 4.908 125.274 120.400 -0.056 0.000 2.371 61 D HA 0.120 4.766 4.640 0.009 0.000 0.256 61 D C -0.300 175.958 176.300 -0.070 0.000 1.193 61 D CA 0.216 54.188 54.000 -0.047 0.000 0.881 61 D CB 1.368 42.131 40.800 -0.063 0.000 1.143 61 D HN 0.685 nan 8.370 nan 0.000 0.473 62 A N 3.107 125.904 122.820 -0.039 0.000 2.812 62 A HA 0.167 4.493 4.320 0.009 0.000 0.294 62 A C 0.962 178.453 177.584 -0.154 0.000 1.014 62 A CA -0.371 51.637 52.037 -0.049 0.000 1.024 62 A CB -0.041 19.033 19.000 0.124 0.000 1.162 62 A HN 0.567 nan 8.150 nan 0.000 0.511 63 T N -2.971 111.475 114.554 -0.181 0.000 3.069 63 T HA 0.279 4.635 4.350 0.009 0.000 0.252 63 T C 0.687 175.219 174.700 -0.280 0.000 1.053 63 T CA 0.836 62.796 62.100 -0.233 0.000 0.964 63 T CB -0.257 68.508 68.868 -0.172 0.000 1.005 63 T HN 0.785 nan 8.240 nan 0.000 0.532 64 T N -0.800 113.586 114.554 -0.280 0.000 2.883 64 T HA 0.664 5.019 4.350 0.009 0.000 0.301 64 T C -0.995 173.533 174.700 -0.287 0.000 1.158 64 T CA -0.911 61.014 62.100 -0.291 0.000 1.007 64 T CB 0.938 69.708 68.868 -0.164 0.000 1.186 64 T HN -0.035 nan 8.240 nan 0.000 0.499 65 F N 2.180 122.059 119.950 -0.119 0.000 2.543 65 F HA 0.433 4.966 4.527 0.009 0.000 0.375 65 F C 1.087 176.784 175.800 -0.173 0.000 1.075 65 F CA -0.101 57.830 58.000 -0.115 0.000 1.225 65 F CB 0.732 39.693 39.000 -0.066 0.000 1.099 65 F HN 0.688 nan 8.300 nan 0.000 0.561 66 Q N 2.441 122.231 119.800 -0.017 0.000 2.272 66 Q HA 0.242 4.588 4.340 0.009 0.000 0.192 66 Q C -0.123 175.770 176.000 -0.178 0.000 1.059 66 Q CA -0.433 55.192 55.803 -0.296 0.000 1.084 66 Q CB 0.473 28.711 28.738 -0.832 0.000 1.139 66 Q HN 0.503 nan 8.270 nan 0.000 0.593 67 N N -0.781 117.773 118.700 -0.243 0.000 2.344 67 N HA 0.061 4.807 4.740 0.009 0.000 0.236 67 N C -1.025 174.451 175.510 -0.057 0.000 1.279 67 N CA 0.048 53.026 53.050 -0.120 0.000 0.882 67 N CB 0.362 38.796 38.487 -0.088 0.000 1.110 67 N HN 0.309 nan 8.380 nan 0.000 0.436 68 V N 1.337 121.190 119.914 -0.103 0.000 2.539 68 V HA 0.155 4.280 4.120 0.009 0.000 0.292 68 V C 0.531 176.550 176.094 -0.124 0.000 1.045 68 V CA -0.868 61.361 62.300 -0.117 0.000 0.945 68 V CB 1.315 33.029 31.823 -0.181 0.000 0.993 68 V HN 0.716 nan 8.190 nan 0.000 0.464 69 c N 3.751 122.302 118.600 -0.080 0.000 2.665 69 c HA 0.100 4.675 4.570 0.009 0.000 0.416 69 c C 0.511 174.528 174.090 -0.121 0.000 1.305 69 c CA -0.516 55.768 56.329 -0.075 0.000 1.903 69 c CB -0.930 41.574 42.510 -0.009 0.000 2.704 69 c HN 0.755 nan 8.230 nan 0.000 0.629 70 Y N 3.260 123.402 120.300 -0.263 0.000 2.620 70 Y HA 0.270 4.826 4.550 0.009 0.000 0.330 70 Y C 0.836 176.746 175.900 0.017 0.000 1.186 70 Y CA 0.941 58.882 58.100 -0.264 0.000 1.467 70 Y CB 0.200 38.239 38.460 -0.703 0.000 1.262 70 Y HN 0.754 nan 8.280 nan 0.000 0.550 71 Q N 3.611 123.560 119.800 0.247 0.000 2.702 71 Q HA 0.190 4.536 4.340 0.009 0.000 0.289 71 Q C -2.025 174.179 176.000 0.341 0.000 0.923 71 Q CA -1.220 54.783 55.803 0.332 0.000 0.787 71 Q CB 1.091 29.910 28.738 0.134 0.000 1.476 71 Q HN 0.625 nan 8.270 nan 0.000 0.402 72 Y N 1.441 121.944 120.300 0.339 0.000 2.496 72 Y HA 0.380 4.936 4.550 0.009 0.000 0.334 72 Y C -0.909 175.126 175.900 0.226 0.000 1.080 72 Y CA -0.108 58.175 58.100 0.304 0.000 1.355 72 Y CB 0.882 39.562 38.460 0.367 0.000 1.193 72 Y HN 0.456 nan 8.280 nan 0.000 0.523 73 V N 7.010 126.636 119.914 -0.479 0.000 2.432 73 V HA 0.062 4.187 4.120 0.009 0.000 0.275 73 V C -0.087 175.599 176.094 -0.680 0.000 1.043 73 V CA -0.829 61.225 62.300 -0.411 0.000 0.925 73 V CB 1.053 32.735 31.823 -0.236 0.000 0.985 73 V HN 0.721 nan 8.190 nan 0.000 0.466 74 D N 4.004 124.213 120.400 -0.317 0.000 2.401 74 D HA 0.085 4.730 4.640 0.009 0.000 0.254 74 D C 0.880 177.143 176.300 -0.061 0.000 1.192 74 D CA 0.153 54.083 54.000 -0.116 0.000 0.885 74 D CB 1.146 42.052 40.800 0.176 0.000 1.147 74 D HN 0.722 nan 8.370 nan 0.000 0.478 75 T N 1.833 116.357 114.554 -0.049 0.000 3.331 75 T HA 0.091 4.447 4.350 0.009 0.000 0.282 75 T C 1.350 176.035 174.700 -0.025 0.000 1.010 75 T CA -0.596 61.493 62.100 -0.018 0.000 0.928 75 T CB -0.037 68.810 68.868 -0.035 0.000 1.154 75 T HN 0.237 nan 8.240 nan 0.000 0.516 76 L N 0.644 121.849 121.223 -0.030 0.000 2.027 76 L HA 0.294 4.640 4.340 0.009 0.000 0.206 76 L C -0.265 176.315 176.870 -0.484 0.000 1.074 76 L CA 1.474 56.136 54.840 -0.297 0.000 0.745 76 L CB -0.377 41.429 42.059 -0.422 0.000 0.898 76 L HN 0.434 nan 8.230 nan 0.000 0.433 77 Y N 0.296 120.619 120.300 0.038 0.000 2.787 77 Y HA 0.443 4.998 4.550 0.009 0.000 0.352 77 Y C -2.173 173.765 175.900 0.064 0.000 1.027 77 Y CA -3.562 54.536 58.100 -0.003 0.000 1.219 77 Y CB -0.188 38.188 38.460 -0.139 0.000 1.110 77 Y HN 0.059 nan 8.280 nan 0.000 0.614 78 P HA -0.029 nan 4.420 nan 0.000 0.259 78 P C 1.036 178.396 177.300 0.099 0.000 1.163 78 P CA 1.948 65.097 63.100 0.083 0.000 0.760 78 P CB 0.492 32.217 31.700 0.042 0.000 0.762 79 G N 2.614 111.456 108.800 0.071 0.000 2.184 79 G HA2 -0.299 3.666 3.960 0.009 0.000 0.264 79 G HA3 -0.299 3.666 3.960 0.009 0.000 0.264 79 G C -0.049 174.894 174.900 0.071 0.000 0.975 79 G CA -0.328 44.799 45.100 0.044 0.000 0.642 79 G HN 0.541 nan 8.290 nan 0.000 0.536 80 F N 1.806 121.717 119.950 -0.065 0.000 2.390 80 F HA 0.581 5.113 4.527 0.009 0.000 0.361 80 F C 1.294 176.998 175.800 -0.160 0.000 1.124 80 F CA -0.723 57.192 58.000 -0.141 0.000 1.149 80 F CB 1.056 39.960 39.000 -0.160 0.000 1.160 80 F HN 0.208 nan 8.300 nan 0.000 0.501 81 E N 3.681 123.497 120.200 -0.638 0.000 2.171 81 E HA -0.175 4.180 4.350 0.009 0.000 0.197 81 E C 2.131 178.257 176.600 -0.790 0.000 0.997 81 E CA 1.767 57.801 56.400 -0.610 0.000 0.810 81 E CB -0.231 29.174 29.700 -0.493 0.000 0.738 81 E HN 0.981 nan 8.360 nan 0.000 0.467 82 G N -0.540 107.249 108.800 -1.685 0.000 2.422 82 G HA2 -0.300 3.665 3.960 0.009 0.000 0.218 82 G HA3 -0.300 3.665 3.960 0.009 0.000 0.218 82 G C 1.685 176.603 174.900 0.029 0.000 1.146 82 G CA 1.525 45.897 45.100 -1.214 0.000 0.769 82 G HN 0.476 nan 8.290 nan 0.000 0.547 83 T N -1.427 113.196 114.554 0.115 0.000 3.021 83 T HA 0.106 4.462 4.350 0.009 0.000 0.245 83 T C 1.908 176.774 174.700 0.276 0.000 1.028 83 T CA 0.837 63.263 62.100 0.543 0.000 1.139 83 T CB -0.087 69.153 68.868 0.621 0.000 0.884 83 T HN 0.187 nan 8.240 nan 0.000 0.457 84 E N 2.335 122.563 120.200 0.048 0.000 2.267 84 E HA -0.115 4.241 4.350 0.009 0.000 0.197 84 E C 2.156 178.663 176.600 -0.155 0.000 0.998 84 E CA 1.266 57.641 56.400 -0.043 0.000 0.830 84 E CB -0.530 29.118 29.700 -0.086 0.000 0.751 84 E HN 0.792 nan 8.360 nan 0.000 0.491 85 M N -2.676 116.743 119.600 -0.300 0.000 2.632 85 M HA -0.016 4.469 4.480 0.009 0.000 0.256 85 M C 1.134 177.051 176.300 -0.639 0.000 1.080 85 M CA 1.256 56.231 55.300 -0.542 0.000 1.084 85 M CB -0.356 31.796 32.600 -0.746 0.000 1.439 85 M HN -0.008 nan 8.290 nan 0.000 0.509 86 W N 0.571 121.782 121.300 -0.147 0.000 3.058 86 W HA 0.300 4.965 4.660 0.009 0.000 0.306 86 W C 0.357 176.758 176.519 -0.197 0.000 1.188 86 W CA -0.923 56.314 57.345 -0.180 0.000 1.651 86 W CB 0.095 29.492 29.460 -0.104 0.000 1.051 86 W HN 0.092 nan 8.180 nan 0.000 0.592 87 N N 1.467 120.172 118.700 0.008 0.000 2.467 87 N HA 0.154 4.899 4.740 0.009 0.000 0.262 87 N C -2.416 173.010 175.510 -0.140 0.000 1.234 87 N CA -1.428 51.583 53.050 -0.064 0.000 0.952 87 N CB -0.199 38.253 38.487 -0.059 0.000 1.158 87 N HN -0.337 nan 8.380 nan 0.000 0.463 88 P HA 0.071 nan 4.420 nan 0.000 0.265 88 P C 0.180 177.377 177.300 -0.173 0.000 1.193 88 P CA 0.032 63.020 63.100 -0.187 0.000 0.765 88 P CB 0.351 31.936 31.700 -0.191 0.000 0.823 89 N N 1.867 120.456 118.700 -0.185 0.000 2.187 89 N HA 0.091 4.836 4.740 0.009 0.000 0.212 89 N C 0.160 175.595 175.510 -0.125 0.000 1.152 89 N CA 0.033 52.989 53.050 -0.158 0.000 0.872 89 N CB 0.437 38.815 38.487 -0.181 0.000 1.025 89 N HN 0.156 nan 8.380 nan 0.000 0.514 90 R N 0.215 120.635 120.500 -0.133 0.000 2.855 90 R HA 0.279 4.625 4.340 0.009 0.000 0.266 90 R C -0.633 175.590 176.300 -0.129 0.000 1.034 90 R CA -0.680 55.356 56.100 -0.107 0.000 0.944 90 R CB 1.188 31.434 30.300 -0.089 0.000 1.219 90 R HN 0.248 nan 8.270 nan 0.000 0.474 91 E N 1.367 121.497 120.200 -0.118 0.000 2.481 91 E HA -0.026 4.329 4.350 0.009 0.000 0.263 91 E C -0.461 176.029 176.600 -0.183 0.000 0.992 91 E CA 0.088 56.408 56.400 -0.134 0.000 0.938 91 E CB 0.535 30.171 29.700 -0.106 0.000 0.933 91 E HN 0.259 nan 8.360 nan 0.000 0.453 92 L N 3.786 124.853 121.223 -0.260 0.000 2.313 92 L HA 0.203 4.548 4.340 0.009 0.000 0.282 92 L C 0.252 176.906 176.870 -0.359 0.000 1.092 92 L CA 0.026 54.601 54.840 -0.443 0.000 0.831 92 L CB 0.993 42.577 42.059 -0.792 0.000 1.159 92 L HN 0.422 nan 8.230 nan 0.000 0.442 93 S N 1.762 117.327 115.700 -0.226 0.000 2.550 93 S HA 0.236 4.711 4.470 0.009 0.000 0.270 93 S C 0.337 174.929 174.600 -0.012 0.000 1.145 93 S CA -0.693 57.490 58.200 -0.027 0.000 0.852 93 S CB 1.771 64.956 63.200 -0.025 0.000 1.119 93 S HN 0.720 nan 8.310 nan 0.000 0.465 94 E N 0.723 120.921 120.200 -0.003 0.000 2.274 94 E HA -0.060 4.296 4.350 0.009 0.000 0.194 94 E C -0.350 176.205 176.600 -0.075 0.000 0.996 94 E CA 0.465 56.788 56.400 -0.128 0.000 0.840 94 E CB 0.079 29.673 29.700 -0.177 0.000 0.772 94 E HN 0.549 nan 8.360 nan 0.000 0.491 95 D N 0.459 120.850 120.400 -0.015 0.000 2.470 95 D HA -0.008 4.638 4.640 0.009 0.000 0.226 95 D C 0.124 176.525 176.300 0.168 0.000 1.196 95 D CA -0.202 53.823 54.000 0.043 0.000 0.979 95 D CB -0.107 40.734 40.800 0.069 0.000 1.059 95 D HN 0.133 nan 8.370 nan 0.000 0.515 96 c N 2.013 120.685 118.600 0.119 0.000 3.911 96 c HA 0.361 4.937 4.570 0.009 0.000 0.318 96 c C 0.883 175.094 174.090 0.202 0.000 1.643 96 c CA -0.629 55.846 56.329 0.244 0.000 1.845 96 c CB -1.234 41.329 42.510 0.088 0.000 2.981 96 c HN 0.412 nan 8.230 nan 0.000 0.656 97 L N 2.548 123.632 121.223 -0.233 0.000 2.382 97 L HA 0.322 4.668 4.340 0.009 0.000 0.259 97 L C -0.835 175.539 176.870 -0.826 0.000 1.291 97 L CA 0.647 55.159 54.840 -0.548 0.000 1.176 97 L CB -0.813 40.745 42.059 -0.834 0.000 1.373 97 L HN 0.419 nan 8.230 nan 0.000 0.426 98 Y N 1.614 121.967 120.300 0.090 0.000 2.570 98 Y HA 0.650 5.206 4.550 0.009 0.000 0.345 98 Y C 0.008 176.116 175.900 0.347 0.000 1.014 98 Y CA -1.232 56.981 58.100 0.187 0.000 1.063 98 Y CB 1.933 40.428 38.460 0.058 0.000 1.272 98 Y HN 0.180 nan 8.280 nan 0.000 0.477 99 L N -0.360 121.041 121.223 0.296 0.000 2.277 99 L HA 0.779 5.124 4.340 0.009 0.000 0.254 99 L C -1.367 175.514 176.870 0.018 0.000 1.044 99 L CA -1.224 53.661 54.840 0.076 0.000 0.842 99 L CB 1.702 43.605 42.059 -0.261 0.000 1.422 99 L HN 0.501 nan 8.230 nan 0.000 0.422 100 N N -0.185 118.530 118.700 0.024 0.000 2.225 100 N HA 0.706 5.452 4.740 0.009 0.000 0.298 100 N C -1.595 173.847 175.510 -0.114 0.000 1.076 100 N CA -0.418 52.573 53.050 -0.097 0.000 0.792 100 N CB 2.874 41.328 38.487 -0.054 0.000 1.498 100 N HN 0.500 nan 8.380 nan 0.000 0.474 101 V N 1.575 121.342 119.914 -0.245 0.000 2.482 101 V HA 0.398 4.523 4.120 0.009 0.000 0.295 101 V C -0.686 175.347 176.094 -0.102 0.000 1.026 101 V CA -0.812 61.428 62.300 -0.100 0.000 0.856 101 V CB 1.830 33.457 31.823 -0.326 0.000 1.001 101 V HN 0.545 nan 8.190 nan 0.000 0.424 102 W N 3.161 124.552 121.300 0.153 0.000 2.438 102 W HA 0.682 5.348 4.660 0.010 0.000 0.324 102 W C 0.342 176.965 176.519 0.174 0.000 1.119 102 W CA -0.339 57.099 57.345 0.156 0.000 1.221 102 W CB 2.283 31.820 29.460 0.129 0.000 1.253 102 W HN 0.636 nan 8.180 nan 0.000 0.555 103 T N 0.029 114.827 114.554 0.406 0.000 2.868 103 T HA 0.453 4.809 4.350 0.009 0.000 0.306 103 T C -2.878 171.995 174.700 0.287 0.000 1.224 103 T CA -2.355 59.943 62.100 0.329 0.000 1.012 103 T CB 2.138 71.219 68.868 0.355 0.000 1.221 103 T HN -0.091 nan 8.240 nan 0.000 0.499 104 P HA 0.189 nan 4.420 nan 0.000 0.268 104 P C -1.541 175.900 177.300 0.236 0.000 1.208 104 P CA -0.087 63.132 63.100 0.197 0.000 0.777 104 P CB 0.073 31.857 31.700 0.141 0.000 0.875 105 Y N 3.700 124.053 120.300 0.089 0.000 2.338 105 Y HA 0.417 4.972 4.550 0.009 0.000 0.328 105 Y C -2.190 173.743 175.900 0.054 0.000 0.965 105 Y CA -2.499 55.645 58.100 0.074 0.000 1.208 105 Y CB 1.102 39.594 38.460 0.054 0.000 1.132 105 Y HN 0.326 nan 8.280 nan 0.000 0.469 106 P HA 0.267 nan 4.420 nan 0.000 0.277 106 P C -0.922 176.342 177.300 -0.060 0.000 1.240 106 P CA -0.477 62.447 63.100 -0.294 0.000 0.798 106 P CB 1.172 32.719 31.700 -0.254 0.000 0.979 107 R N 1.933 122.416 120.500 -0.029 0.000 2.566 107 R HA 0.080 4.426 4.340 0.009 0.000 0.273 107 R C -1.617 174.702 176.300 0.032 0.000 0.981 107 R CA -0.755 55.379 56.100 0.057 0.000 1.091 107 R CB -0.731 29.616 30.300 0.077 0.000 0.924 107 R HN 0.474 nan 8.270 nan 0.000 0.411 108 P HA -0.011 nan 4.420 nan 0.000 0.271 108 P C -0.067 177.247 177.300 0.022 0.000 1.216 108 P CA 0.069 63.192 63.100 0.038 0.000 0.776 108 P CB 1.050 32.781 31.700 0.051 0.000 0.881 109 A N 3.389 126.215 122.820 0.011 0.000 1.908 109 A HA -0.077 4.249 4.320 0.009 0.000 0.218 109 A C 1.224 178.810 177.584 0.004 0.000 1.181 109 A CA 1.771 53.810 52.037 0.002 0.000 0.627 109 A CB -1.010 17.989 19.000 -0.001 0.000 0.818 109 A HN 0.726 nan 8.150 nan 0.000 0.445 110 S N -0.737 114.968 115.700 0.008 0.000 2.537 110 S HA 0.628 5.103 4.470 0.009 0.000 0.301 110 S C -2.993 171.614 174.600 0.013 0.000 1.092 110 S CA -1.830 56.374 58.200 0.006 0.000 1.048 110 S CB 1.253 64.454 63.200 0.002 0.000 1.053 110 S HN 0.055 nan 8.310 nan 0.000 0.501 111 P HA 0.177 nan 4.420 nan 0.000 0.266 111 P C -0.615 176.698 177.300 0.020 0.000 1.186 111 P CA 0.204 63.314 63.100 0.016 0.000 0.767 111 P CB 0.208 31.910 31.700 0.002 0.000 0.820 112 T N 3.373 117.950 114.554 0.037 0.000 2.863 112 T HA 0.429 4.784 4.350 0.009 0.000 0.285 112 T C -2.581 172.142 174.700 0.039 0.000 1.009 112 T CA -1.765 60.359 62.100 0.040 0.000 0.989 112 T CB 1.335 70.241 68.868 0.063 0.000 1.004 112 T HN 0.133 nan 8.240 nan 0.000 0.455 113 P HA 0.134 nan 4.420 nan 0.000 0.265 113 P C -1.013 176.321 177.300 0.056 0.000 1.187 113 P CA -0.104 63.008 63.100 0.021 0.000 0.766 113 P CB 0.413 32.110 31.700 -0.006 0.000 0.820 114 V N 5.296 125.257 119.914 0.078 0.000 2.409 114 V HA 0.290 4.416 4.120 0.009 0.000 0.291 114 V C 0.171 176.346 176.094 0.136 0.000 1.020 114 V CA -0.517 61.856 62.300 0.122 0.000 0.848 114 V CB 1.230 33.136 31.823 0.138 0.000 0.990 114 V HN 0.344 nan 8.190 nan 0.000 0.430 115 L N 6.050 127.366 121.223 0.154 0.000 2.289 115 L HA 0.607 4.953 4.340 0.009 0.000 0.285 115 L C -0.547 176.549 176.870 0.377 0.000 1.049 115 L CA -0.419 54.535 54.840 0.189 0.000 0.804 115 L CB 1.699 43.765 42.059 0.012 0.000 1.195 115 L HN 0.489 nan 8.230 nan 0.000 0.428 116 I N 2.792 123.626 120.570 0.439 0.000 2.389 116 I HA 0.254 4.429 4.170 0.009 0.000 0.288 116 I C -0.523 175.894 176.117 0.500 0.000 0.999 116 I CA -0.369 61.174 61.300 0.405 0.000 1.129 116 I CB 1.812 39.928 38.000 0.192 0.000 1.288 116 I HN 0.618 nan 8.210 nan 0.000 0.444 117 W N 8.498 129.913 121.300 0.193 0.000 2.390 117 W HA 0.581 5.246 4.660 0.008 0.000 0.312 117 W C -1.551 174.864 176.519 -0.174 0.000 1.123 117 W CA -0.679 56.557 57.345 -0.181 0.000 1.202 117 W CB 1.158 30.536 29.460 -0.136 0.000 1.251 117 W HN 0.331 nan 8.180 nan 0.000 0.511 118 I N 8.894 128.847 120.570 -1.028 0.000 2.382 118 I HA 0.095 4.271 4.170 0.009 0.000 0.285 118 I C -0.175 175.116 176.117 -1.377 0.000 1.007 118 I CA -1.115 59.602 61.300 -0.971 0.000 1.142 118 I CB 0.659 38.255 38.000 -0.673 0.000 1.289 118 I HN 0.325 nan 8.210 nan 0.000 0.453 119 Y N 4.572 124.370 120.300 -0.836 0.000 2.330 119 Y HA 0.689 5.245 4.550 0.009 0.000 0.341 119 Y C 0.803 176.475 175.900 -0.380 0.000 1.278 119 Y CA -0.781 56.879 58.100 -0.732 0.000 1.453 119 Y CB -0.123 38.167 38.460 -0.283 0.000 1.342 119 Y HN 0.534 nan 8.280 nan 0.000 0.590 120 G N -1.393 107.406 108.800 -0.001 0.000 2.671 120 G HA2 0.495 4.461 3.960 0.009 0.000 0.275 120 G HA3 0.495 4.461 3.960 0.009 0.000 0.275 120 G C 0.187 175.052 174.900 -0.058 0.000 1.368 120 G CA -0.960 44.089 45.100 -0.085 0.000 1.044 120 G HN 1.708 nan 8.290 nan 0.000 0.543 121 G N -2.671 105.955 108.800 -0.289 0.000 2.244 121 G HA2 0.407 4.373 3.960 0.009 0.000 0.163 121 G HA3 0.407 4.373 3.960 0.009 0.000 0.163 121 G C 1.003 175.547 174.900 -0.594 0.000 1.064 121 G CA 0.677 45.514 45.100 -0.440 0.000 0.757 121 G HN 2.338 nan 8.290 nan 0.000 0.484 122 G N -0.427 107.936 108.800 -0.727 0.000 2.225 122 G HA2 -0.120 3.845 3.960 0.009 0.000 0.267 122 G HA3 -0.120 3.845 3.960 0.009 0.000 0.267 122 G C 0.883 175.546 174.900 -0.395 0.000 1.024 122 G CA 0.621 44.936 45.100 -1.309 0.000 0.784 122 G HN 1.777 nan 8.290 nan 0.000 0.507 123 F N -2.986 116.882 119.950 -0.138 0.000 3.079 123 F HA -0.342 4.191 4.527 0.009 0.000 0.285 123 F C 1.496 177.463 175.800 0.278 0.000 0.819 123 F CA 2.414 60.462 58.000 0.079 0.000 1.067 123 F CB -1.995 36.897 39.000 -0.181 0.000 1.263 123 F HN 0.935 nan 8.300 nan 0.000 0.458 124 Y N -1.783 118.637 120.300 0.201 0.000 2.441 124 Y HA 0.543 5.098 4.550 0.009 0.000 0.266 124 Y C 0.715 176.733 175.900 0.197 0.000 1.093 124 Y CA 0.449 58.708 58.100 0.266 0.000 1.246 124 Y CB 0.002 38.615 38.460 0.256 0.000 1.262 124 Y HN 0.005 nan 8.280 nan 0.000 0.518 125 S N -0.257 115.086 115.700 -0.594 0.000 2.806 125 S HA 0.919 5.395 4.470 0.009 0.000 0.306 125 S C 0.005 174.384 174.600 -0.369 0.000 1.167 125 S CA -0.610 57.293 58.200 -0.495 0.000 0.847 125 S CB 1.523 64.288 63.200 -0.725 0.000 1.216 125 S HN 1.314 nan 8.310 nan 0.000 0.532 126 G N -1.005 107.529 108.800 -0.443 0.000 2.525 126 G HA2 0.528 4.493 3.960 0.009 0.000 0.685 126 G HA3 0.528 4.493 3.960 0.009 0.000 0.685 126 G C -0.753 173.297 174.900 -1.417 0.000 1.285 126 G CA -0.239 44.373 45.100 -0.813 0.000 0.849 126 G HN 2.090 nan 8.290 nan 0.000 0.653 127 A N -0.524 121.316 122.820 -1.634 0.000 2.547 127 A HA 0.951 5.276 4.320 0.009 0.000 0.298 127 A C 0.557 177.977 177.584 -0.274 0.000 1.062 127 A CA 0.682 52.235 52.037 -0.807 0.000 0.748 127 A CB 0.874 19.626 19.000 -0.414 0.000 1.288 127 A HN 2.600 nan 8.150 nan 0.000 0.396 128 A N 1.135 124.050 122.820 0.159 0.000 2.209 128 A HA 0.207 4.533 4.320 0.009 0.000 0.212 128 A C 1.750 179.376 177.584 0.070 0.000 1.158 128 A CA 1.846 54.131 52.037 0.414 0.000 0.742 128 A CB -0.514 18.779 19.000 0.489 0.000 0.790 128 A HN 1.884 nan 8.150 nan 0.000 0.472 129 S N -0.661 114.829 115.700 -0.349 0.000 2.575 129 S HA 0.331 4.807 4.470 0.009 0.000 0.215 129 S C 0.435 174.577 174.600 -0.763 0.000 0.966 129 S CA -0.454 57.054 58.200 -1.154 0.000 0.911 129 S CB -0.537 61.928 63.200 -1.225 0.000 0.780 129 S HN 0.380 nan 8.310 nan 0.000 0.514 130 L N 2.113 123.058 121.223 -0.464 0.000 2.439 130 L HA 0.219 4.564 4.340 0.009 0.000 0.269 130 L C 1.195 177.737 176.870 -0.547 0.000 1.179 130 L CA -0.562 53.956 54.840 -0.537 0.000 0.828 130 L CB 0.237 41.864 42.059 -0.720 0.000 1.106 130 L HN 0.039 nan 8.230 nan 0.000 0.467 131 D N 1.215 121.342 120.400 -0.456 0.000 2.149 131 D HA -0.179 4.467 4.640 0.009 0.000 0.194 131 D C 1.945 177.971 176.300 -0.457 0.000 1.001 131 D CA 1.621 55.410 54.000 -0.351 0.000 0.849 131 D CB -0.071 40.553 40.800 -0.294 0.000 0.939 131 D HN 0.530 nan 8.370 nan 0.000 0.449 132 V N -1.555 117.940 119.914 -0.699 0.000 3.305 132 V HA -0.124 4.001 4.120 0.009 0.000 0.269 132 V C 0.841 176.330 176.094 -1.008 0.000 1.157 132 V CA 0.949 62.800 62.300 -0.750 0.000 1.157 132 V CB -1.149 30.211 31.823 -0.772 0.000 0.772 132 V HN 0.092 nan 8.190 nan 0.000 0.498 133 Y N 0.213 119.970 120.300 -0.906 0.000 2.571 133 Y HA 0.459 5.015 4.550 0.009 0.000 0.275 133 Y C 0.808 176.098 175.900 -1.016 0.000 1.179 133 Y CA -1.993 55.169 58.100 -1.563 0.000 1.242 133 Y CB -0.737 37.148 38.460 -0.958 0.000 1.126 133 Y HN 0.243 nan 8.280 nan 0.000 0.524 134 D N 0.977 121.073 120.400 -0.506 0.000 2.363 134 D HA 0.055 4.701 4.640 0.009 0.000 0.263 134 D C 1.369 177.357 176.300 -0.520 0.000 1.258 134 D CA 0.371 54.154 54.000 -0.361 0.000 0.907 134 D CB 1.284 42.037 40.800 -0.078 0.000 1.107 134 D HN 0.474 nan 8.370 nan 0.000 0.495 135 G N 4.015 111.886 108.800 -1.550 0.000 2.848 135 G HA2 -0.177 3.788 3.960 0.009 0.000 0.208 135 G HA3 -0.177 3.788 3.960 0.009 0.000 0.208 135 G C 1.485 175.832 174.900 -0.922 0.000 1.152 135 G CA 0.263 44.660 45.100 -1.171 0.000 0.789 135 G HN 0.624 nan 8.290 nan 0.000 0.531 136 R N -0.625 119.279 120.500 -0.992 0.000 2.096 136 R HA -0.029 4.316 4.340 0.009 0.000 0.235 136 R C 1.674 177.730 176.300 -0.406 0.000 1.127 136 R CA 1.325 57.106 56.100 -0.533 0.000 0.968 136 R CB -0.634 29.361 30.300 -0.507 0.000 0.861 136 R HN 0.329 nan 8.270 nan 0.000 0.440 137 F N 1.374 121.237 119.950 -0.146 0.000 2.098 137 F HA 0.054 4.587 4.527 0.010 0.000 0.294 137 F C 2.327 178.072 175.800 -0.092 0.000 1.107 137 F CA 0.740 58.678 58.000 -0.102 0.000 1.234 137 F CB -0.602 38.325 39.000 -0.122 0.000 1.002 137 F HN -0.138 nan 8.300 nan 0.000 0.472 138 L N 0.009 121.276 121.223 0.074 0.000 2.042 138 L HA -0.255 4.091 4.340 0.009 0.000 0.210 138 L C 2.712 179.597 176.870 0.025 0.000 1.076 138 L CA 1.233 56.070 54.840 -0.005 0.000 0.749 138 L CB -0.934 41.074 42.059 -0.084 0.000 0.893 138 L HN 0.208 nan 8.230 nan 0.000 0.432 139 A N -0.980 121.864 122.820 0.039 0.000 1.845 139 A HA -0.254 4.072 4.320 0.009 0.000 0.215 139 A C 2.274 179.908 177.584 0.083 0.000 1.195 139 A CA 1.617 53.713 52.037 0.099 0.000 0.616 139 A CB -0.645 18.462 19.000 0.178 0.000 0.832 139 A HN 0.384 nan 8.150 nan 0.000 0.443 140 Q N -0.119 119.714 119.800 0.055 0.000 2.050 140 Q HA -0.120 4.226 4.340 0.009 0.000 0.202 140 Q C 2.205 178.238 176.000 0.054 0.000 0.980 140 Q CA 2.213 58.049 55.803 0.055 0.000 0.840 140 Q CB -0.348 28.403 28.738 0.023 0.000 0.898 140 Q HN 0.419 nan 8.270 nan 0.000 0.424 141 V N 0.930 120.875 119.914 0.052 0.000 2.446 141 V HA -0.099 4.026 4.120 0.009 0.000 0.244 141 V C 1.765 177.875 176.094 0.027 0.000 1.039 141 V CA 1.476 63.800 62.300 0.040 0.000 1.045 141 V CB -0.158 31.688 31.823 0.039 0.000 0.681 141 V HN 0.225 nan 8.190 nan 0.000 0.459 142 E N -0.139 120.076 120.200 0.025 0.000 2.481 142 E HA 0.200 4.555 4.350 0.009 0.000 0.198 142 E C 1.614 178.232 176.600 0.030 0.000 1.027 142 E CA 0.703 57.113 56.400 0.017 0.000 0.900 142 E CB 0.523 30.224 29.700 0.001 0.000 0.993 142 E HN 0.588 nan 8.360 nan 0.000 0.482 143 G N 1.773 110.602 108.800 0.048 0.000 2.221 143 G HA2 -0.284 3.681 3.960 0.009 0.000 0.265 143 G HA3 -0.284 3.681 3.960 0.009 0.000 0.265 143 G C 0.347 175.289 174.900 0.070 0.000 1.041 143 G CA 0.432 45.569 45.100 0.062 0.000 0.807 143 G HN 0.445 nan 8.290 nan 0.000 0.502 144 A N -0.714 122.150 122.820 0.074 0.000 2.303 144 A HA 0.792 5.118 4.320 0.009 0.000 0.317 144 A C 0.387 178.052 177.584 0.136 0.000 1.149 144 A CA -0.249 51.837 52.037 0.082 0.000 0.822 144 A CB 1.554 20.583 19.000 0.049 0.000 1.131 144 A HN 1.141 nan 8.150 nan 0.000 0.493 145 V N 2.969 122.970 119.914 0.145 0.000 2.408 145 V HA 0.314 4.439 4.120 0.009 0.000 0.267 145 V C -0.001 176.224 176.094 0.219 0.000 1.047 145 V CA 0.046 62.460 62.300 0.191 0.000 0.937 145 V CB 0.418 32.341 31.823 0.166 0.000 0.999 145 V HN 0.721 nan 8.190 nan 0.000 0.472 146 L N 6.234 127.643 121.223 0.311 0.000 2.346 146 L HA 0.786 5.132 4.340 0.009 0.000 0.276 146 L C -0.867 176.295 176.870 0.487 0.000 1.006 146 L CA -0.314 54.757 54.840 0.385 0.000 0.817 146 L CB 1.968 44.246 42.059 0.366 0.000 1.272 146 L HN 0.437 nan 8.230 nan 0.000 0.421 147 V N 3.173 123.355 119.914 0.447 0.000 2.588 147 V HA 0.638 4.764 4.120 0.009 0.000 0.304 147 V C -0.512 175.846 176.094 0.439 0.000 1.042 147 V CA -0.438 62.090 62.300 0.380 0.000 0.877 147 V CB 1.982 33.950 31.823 0.241 0.000 0.996 147 V HN 0.859 nan 8.190 nan 0.000 0.425 148 S N 5.259 121.238 115.700 0.465 0.000 2.542 148 S HA 0.898 5.373 4.470 0.009 0.000 0.293 148 S C -0.702 174.062 174.600 0.274 0.000 1.089 148 S CA -0.868 57.591 58.200 0.431 0.000 0.961 148 S CB 2.168 65.753 63.200 0.640 0.000 1.062 148 S HN 0.840 nan 8.310 nan 0.000 0.483 149 M N 1.072 120.788 119.600 0.194 0.000 2.662 149 M HA 0.650 5.136 4.480 0.009 0.000 0.310 149 M C -1.586 174.921 176.300 0.344 0.000 1.204 149 M CA -0.791 54.591 55.300 0.136 0.000 0.891 149 M CB 1.421 33.963 32.600 -0.097 0.000 1.732 149 M HN 0.439 nan 8.290 nan 0.000 0.467 150 N N 2.196 121.163 118.700 0.445 0.000 2.479 150 N HA 0.546 5.291 4.740 0.009 0.000 0.285 150 N C -1.595 174.210 175.510 0.492 0.000 1.075 150 N CA -0.073 53.270 53.050 0.488 0.000 0.967 150 N CB 0.881 39.589 38.487 0.369 0.000 1.137 150 N HN 0.701 nan 8.380 nan 0.000 0.472 151 Y N -1.496 118.961 120.300 0.261 0.000 2.536 151 Y HA 0.584 5.140 4.550 0.009 0.000 0.347 151 Y C 0.018 176.052 175.900 0.222 0.000 1.000 151 Y CA -1.373 56.846 58.100 0.199 0.000 1.051 151 Y CB 0.913 39.425 38.460 0.086 0.000 1.259 151 Y HN 0.198 nan 8.280 nan 0.000 0.468 152 R N 2.142 122.763 120.500 0.201 0.000 2.449 152 R HA 0.430 4.776 4.340 0.009 0.000 0.296 152 R C -0.176 176.239 176.300 0.192 0.000 1.047 152 R CA -0.175 56.000 56.100 0.126 0.000 1.018 152 R CB 0.555 30.910 30.300 0.093 0.000 0.962 152 R HN 0.722 nan 8.270 nan 0.000 0.428 153 V N 0.555 120.624 119.914 0.258 0.000 3.193 153 V HA 0.866 4.991 4.120 0.009 0.000 0.320 153 V C 0.929 177.365 176.094 0.570 0.000 1.112 153 V CA -0.120 62.459 62.300 0.464 0.000 1.026 153 V CB 1.098 33.095 31.823 0.290 0.000 1.128 153 V HN 0.959 nan 8.190 nan 0.000 0.452 154 G N 1.643 110.853 108.800 0.682 0.000 2.578 154 G HA2 -0.297 3.668 3.960 0.009 0.000 0.275 154 G HA3 -0.297 3.668 3.960 0.009 0.000 0.275 154 G C 0.949 176.065 174.900 0.360 0.000 1.271 154 G CA 1.458 46.912 45.100 0.590 0.000 0.941 154 G HN 2.239 nan 8.290 nan 0.000 0.564 155 T N -1.677 112.821 114.554 -0.095 0.000 2.699 155 T HA -0.131 4.224 4.350 0.009 0.000 0.268 155 T C 2.128 176.730 174.700 -0.162 0.000 1.036 155 T CA 2.594 64.362 62.100 -0.553 0.000 1.147 155 T CB -0.429 67.949 68.868 -0.816 0.000 0.862 155 T HN 0.578 nan 8.240 nan 0.000 0.446 156 F N 2.226 122.246 119.950 0.116 0.000 2.202 156 F HA 0.181 4.713 4.527 0.009 0.000 0.301 156 F C 2.753 178.558 175.800 0.008 0.000 1.082 156 F CA 0.886 58.908 58.000 0.037 0.000 1.313 156 F CB -0.917 38.078 39.000 -0.009 0.000 1.024 156 F HN 0.376 nan 8.300 nan 0.000 0.495 157 G N -2.061 106.821 108.800 0.137 0.000 2.595 157 G HA2 0.006 3.972 3.960 0.009 0.000 0.213 157 G HA3 0.006 3.972 3.960 0.009 0.000 0.213 157 G C 0.942 175.415 174.900 -0.711 0.000 1.141 157 G CA 0.275 45.184 45.100 -0.318 0.000 0.806 157 G HN 0.342 nan 8.290 nan 0.000 0.530 158 F N -0.663 119.398 119.950 0.185 0.000 2.925 158 F HA 0.430 4.962 4.527 0.010 0.000 0.355 158 F C 0.530 176.420 175.800 0.150 0.000 1.073 158 F CA -1.045 57.044 58.000 0.150 0.000 1.127 158 F CB 0.284 39.389 39.000 0.175 0.000 1.123 158 F HN -0.088 nan 8.300 nan 0.000 0.551 159 L N 2.200 123.485 121.223 0.103 0.000 2.513 159 L HA 0.484 4.829 4.340 0.009 0.000 0.272 159 L C -0.064 176.789 176.870 -0.027 0.000 1.187 159 L CA -0.007 54.788 54.840 -0.075 0.000 0.895 159 L CB 0.361 42.086 42.059 -0.555 0.000 1.147 159 L HN 0.124 nan 8.230 nan 0.000 0.483 160 A N 6.115 128.960 122.820 0.042 0.000 2.374 160 A HA 0.664 4.990 4.320 0.009 0.000 0.305 160 A C -1.059 176.516 177.584 -0.016 0.000 1.053 160 A CA -0.577 51.469 52.037 0.015 0.000 0.726 160 A CB 1.327 20.367 19.000 0.067 0.000 1.229 160 A HN 0.702 nan 8.150 nan 0.000 0.431 161 L N 3.650 124.847 121.223 -0.042 0.000 2.504 161 L HA 0.321 4.667 4.340 0.009 0.000 0.249 161 L C -2.396 174.468 176.870 -0.010 0.000 1.120 161 L CA -1.477 53.343 54.840 -0.034 0.000 0.997 161 L CB 1.183 43.206 42.059 -0.060 0.000 1.349 161 L HN 0.402 nan 8.230 nan 0.000 0.439 162 P HA 0.095 nan 4.420 nan 0.000 0.262 162 P C 1.000 178.306 177.300 0.009 0.000 1.182 162 P CA 0.778 63.885 63.100 0.012 0.000 0.761 162 P CB 0.868 32.575 31.700 0.012 0.000 0.795 163 G N 1.653 110.463 108.800 0.015 0.000 2.234 163 G HA2 -0.237 3.729 3.960 0.009 0.000 0.235 163 G HA3 -0.237 3.729 3.960 0.009 0.000 0.235 163 G C 0.438 175.346 174.900 0.013 0.000 0.997 163 G CA 0.253 45.361 45.100 0.014 0.000 0.623 163 G HN 0.825 nan 8.290 nan 0.000 0.514 164 S N -0.387 115.320 115.700 0.011 0.000 2.645 164 S HA 0.641 5.117 4.470 0.009 0.000 0.266 164 S C 1.205 175.817 174.600 0.021 0.000 1.258 164 S CA 0.504 58.711 58.200 0.011 0.000 0.990 164 S CB 2.011 65.211 63.200 -0.000 0.000 0.967 164 S HN 0.592 nan 8.310 nan 0.000 0.556 165 R N 0.049 120.564 120.500 0.024 0.000 2.156 165 R HA 0.117 4.462 4.340 0.009 0.000 0.207 165 R C 1.292 177.617 176.300 0.042 0.000 1.040 165 R CA 0.807 56.927 56.100 0.033 0.000 1.013 165 R CB -0.194 30.123 30.300 0.029 0.000 0.931 165 R HN 0.792 nan 8.270 nan 0.000 0.465 166 E N -0.165 120.059 120.200 0.041 0.000 2.318 166 E HA 0.124 4.479 4.350 0.009 0.000 0.193 166 E C -0.261 176.391 176.600 0.088 0.000 0.998 166 E CA 0.781 57.219 56.400 0.063 0.000 0.859 166 E CB 1.064 30.799 29.700 0.059 0.000 0.812 166 E HN 0.304 nan 8.360 nan 0.000 0.492 167 A N 0.999 123.848 122.820 0.048 0.000 3.158 167 A HA 0.285 4.610 4.320 0.009 0.000 0.302 167 A C -2.285 175.311 177.584 0.021 0.000 1.162 167 A CA -0.922 51.136 52.037 0.036 0.000 0.824 167 A CB 0.545 19.486 19.000 -0.098 0.000 1.322 167 A HN -0.086 nan 8.150 nan 0.000 0.510 168 P HA 0.198 nan 4.420 nan 0.000 0.249 168 P C 0.909 178.238 177.300 0.048 0.000 1.229 168 P CA 1.450 64.577 63.100 0.044 0.000 0.788 168 P CB 0.163 31.898 31.700 0.058 0.000 1.072 169 G N 1.257 110.086 108.800 0.048 0.000 2.814 169 G HA2 -0.231 3.734 3.960 0.009 0.000 0.677 169 G HA3 -0.231 3.734 3.960 0.009 0.000 0.677 169 G C 0.041 174.965 174.900 0.041 0.000 1.429 169 G CA -0.210 44.926 45.100 0.060 0.000 0.868 169 G HN 0.169 nan 8.290 nan 0.000 0.553 170 N N -2.603 116.126 118.700 0.049 0.000 2.878 170 N HA -0.274 4.472 4.740 0.009 0.000 0.247 170 N C 1.845 177.256 175.510 -0.165 0.000 1.021 170 N CA 2.468 55.493 53.050 -0.042 0.000 0.873 170 N CB -1.627 36.775 38.487 -0.142 0.000 1.128 170 N HN 1.946 nan 8.380 nan 0.000 0.571 171 V N -2.437 117.373 119.914 -0.173 0.000 2.720 171 V HA 0.006 4.131 4.120 0.009 0.000 0.256 171 V C 2.249 178.235 176.094 -0.179 0.000 1.082 171 V CA 2.358 64.586 62.300 -0.120 0.000 1.101 171 V CB -0.835 30.961 31.823 -0.045 0.000 0.693 171 V HN 0.286 nan 8.190 nan 0.000 0.479 172 G N 0.478 108.976 108.800 -0.504 0.000 2.408 172 G HA2 -0.122 3.843 3.960 0.009 0.000 0.217 172 G HA3 -0.122 3.843 3.960 0.009 0.000 0.217 172 G C 1.519 176.427 174.900 0.012 0.000 1.150 172 G CA 1.100 46.041 45.100 -0.265 0.000 0.776 172 G HN 0.543 nan 8.290 nan 0.000 0.542 173 L N -0.067 121.117 121.223 -0.066 0.000 2.056 173 L HA 0.022 4.367 4.340 0.009 0.000 0.207 173 L C 2.872 179.804 176.870 0.103 0.000 1.078 173 L CA 0.480 55.236 54.840 -0.139 0.000 0.749 173 L CB -0.395 41.156 42.059 -0.846 0.000 0.901 173 L HN 0.164 nan 8.230 nan 0.000 0.433 174 L N -0.350 120.932 121.223 0.099 0.000 2.083 174 L HA -0.236 4.109 4.340 0.009 0.000 0.209 174 L C 2.262 179.274 176.870 0.236 0.000 1.083 174 L CA 1.103 56.086 54.840 0.237 0.000 0.752 174 L CB -0.665 41.501 42.059 0.178 0.000 0.899 174 L HN 0.321 nan 8.230 nan 0.000 0.433 175 D N -0.212 120.314 120.400 0.210 0.000 2.117 175 D HA -0.205 4.441 4.640 0.009 0.000 0.197 175 D C 2.280 178.780 176.300 0.334 0.000 0.987 175 D CA 1.158 55.363 54.000 0.341 0.000 0.829 175 D CB -0.190 40.817 40.800 0.345 0.000 0.961 175 D HN 0.409 nan 8.370 nan 0.000 0.460 176 Q N 0.031 119.935 119.800 0.174 0.000 2.079 176 Q HA -0.084 4.261 4.340 0.009 0.000 0.200 176 Q C 2.241 178.251 176.000 0.016 0.000 0.974 176 Q CA 0.798 56.611 55.803 0.016 0.000 0.840 176 Q CB -0.050 28.681 28.738 -0.012 0.000 0.898 176 Q HN 0.183 nan 8.270 nan 0.000 0.430 177 R N 0.486 121.106 120.500 0.200 0.000 2.152 177 R HA -0.151 4.195 4.340 0.009 0.000 0.232 177 R C 2.008 178.384 176.300 0.128 0.000 1.117 177 R CA 0.743 56.945 56.100 0.170 0.000 0.981 177 R CB -0.022 30.473 30.300 0.325 0.000 0.870 177 R HN 0.198 nan 8.270 nan 0.000 0.451 178 L N 0.099 121.430 121.223 0.180 0.000 2.127 178 L HA 0.135 4.480 4.340 0.009 0.000 0.203 178 L C 2.190 179.137 176.870 0.129 0.000 1.080 178 L CA 1.785 56.771 54.840 0.244 0.000 0.768 178 L CB -0.476 41.829 42.059 0.410 0.000 0.924 178 L HN 0.159 nan 8.230 nan 0.000 0.444 179 A N -0.429 122.241 122.820 -0.250 0.000 1.908 179 A HA -0.198 4.128 4.320 0.009 0.000 0.218 179 A C 2.129 179.669 177.584 -0.074 0.000 1.181 179 A CA 2.025 53.735 52.037 -0.544 0.000 0.627 179 A CB -0.908 17.573 19.000 -0.865 0.000 0.818 179 A HN 0.408 nan 8.150 nan 0.000 0.445 180 L N -0.492 120.696 121.223 -0.058 0.000 2.042 180 L HA -0.238 4.107 4.340 0.009 0.000 0.210 180 L C 2.696 179.625 176.870 0.098 0.000 1.076 180 L CA 2.191 57.038 54.840 0.011 0.000 0.749 180 L CB -0.884 41.136 42.059 -0.065 0.000 0.893 180 L HN 0.473 nan 8.230 nan 0.000 0.432 181 Q N -2.275 117.599 119.800 0.124 0.000 2.046 181 Q HA -0.261 4.084 4.340 0.009 0.000 0.200 181 Q C 2.117 178.218 176.000 0.169 0.000 0.975 181 Q CA 1.876 57.761 55.803 0.137 0.000 0.836 181 Q CB -0.403 28.422 28.738 0.145 0.000 0.896 181 Q HN 0.587 nan 8.270 nan 0.000 0.428 182 W N 0.006 121.335 121.300 0.049 0.000 2.331 182 W HA -0.241 4.424 4.660 0.009 0.000 0.291 182 W C 1.668 178.223 176.519 0.060 0.000 1.214 182 W CA 1.304 58.691 57.345 0.071 0.000 1.228 182 W CB -0.034 29.473 29.460 0.079 0.000 1.135 182 W HN -0.096 nan 8.180 nan 0.000 0.537 183 V N 0.606 120.694 119.914 0.290 0.000 2.323 183 V HA -0.302 3.823 4.120 0.009 0.000 0.244 183 V C 2.562 178.651 176.094 -0.009 0.000 1.041 183 V CA 1.956 64.352 62.300 0.161 0.000 1.025 183 V CB -0.961 31.002 31.823 0.234 0.000 0.656 183 V HN 0.134 nan 8.190 nan 0.000 0.451 184 Q N -0.048 119.770 119.800 0.031 0.000 2.133 184 Q HA -0.308 4.038 4.340 0.009 0.000 0.208 184 Q C 2.212 178.173 176.000 -0.064 0.000 0.991 184 Q CA 2.422 58.230 55.803 0.008 0.000 0.867 184 Q CB -0.305 28.450 28.738 0.029 0.000 0.911 184 Q HN 0.822 nan 8.270 nan 0.000 0.417 185 E N -0.453 119.667 120.200 -0.134 0.000 2.170 185 E HA -0.063 4.293 4.350 0.009 0.000 0.191 185 E C 1.269 177.702 176.600 -0.277 0.000 0.981 185 E CA 0.752 57.043 56.400 -0.182 0.000 0.830 185 E CB 0.303 29.901 29.700 -0.171 0.000 0.775 185 E HN 0.308 nan 8.360 nan 0.000 0.470 186 N N -0.226 118.187 118.700 -0.478 0.000 2.317 186 N HA -0.004 4.741 4.740 0.009 0.000 0.199 186 N C 1.597 176.967 175.510 -0.233 0.000 1.145 186 N CA 0.062 52.801 53.050 -0.517 0.000 0.882 186 N CB 0.250 38.082 38.487 -1.091 0.000 1.113 186 N HN 0.094 nan 8.380 nan 0.000 0.486 187 I N 2.911 123.373 120.570 -0.180 0.000 2.185 187 I HA -0.288 3.888 4.170 0.009 0.000 0.246 187 I C 2.305 178.524 176.117 0.171 0.000 1.088 187 I CA 0.933 62.281 61.300 0.079 0.000 1.347 187 I CB -0.436 37.603 38.000 0.065 0.000 1.041 187 I HN 0.107 nan 8.210 nan 0.000 0.415 188 A N 0.271 123.117 122.820 0.044 0.000 1.971 188 A HA -0.287 4.038 4.320 0.009 0.000 0.222 188 A C 2.464 180.042 177.584 -0.010 0.000 1.182 188 A CA 2.209 54.257 52.037 0.017 0.000 0.649 188 A CB -1.356 17.628 19.000 -0.027 0.000 0.818 188 A HN 0.558 nan 8.150 nan 0.000 0.458 189 A N -2.069 120.707 122.820 -0.074 0.000 2.125 189 A HA 0.094 4.419 4.320 0.009 0.000 0.219 189 A C 1.429 178.780 177.584 -0.389 0.000 1.156 189 A CA 1.311 53.184 52.037 -0.274 0.000 0.671 189 A CB -0.599 18.135 19.000 -0.444 0.000 0.794 189 A HN 0.539 nan 8.150 nan 0.000 0.459 190 F N -1.687 118.211 119.950 -0.086 0.000 2.661 190 F HA 0.407 4.940 4.527 0.010 0.000 0.306 190 F C 1.663 177.468 175.800 0.008 0.000 1.094 190 F CA 0.292 58.262 58.000 -0.050 0.000 1.254 190 F CB 0.330 39.315 39.000 -0.026 0.000 1.040 190 F HN 0.280 nan 8.300 nan 0.000 0.562 191 G N 0.534 109.418 108.800 0.141 0.000 2.143 191 G HA2 -0.196 3.769 3.960 0.009 0.000 0.249 191 G HA3 -0.196 3.769 3.960 0.009 0.000 0.249 191 G C 0.661 175.625 174.900 0.107 0.000 0.981 191 G CA -0.188 44.971 45.100 0.098 0.000 0.665 191 G HN 0.731 nan 8.290 nan 0.000 0.528 192 G N -0.512 108.370 108.800 0.136 0.000 2.467 192 G HA2 0.457 4.422 3.960 0.009 0.000 0.257 192 G HA3 0.457 4.422 3.960 0.009 0.000 0.257 192 G C -0.527 174.413 174.900 0.067 0.000 1.227 192 G CA 0.247 45.411 45.100 0.107 0.000 0.835 192 G HN 0.215 nan 8.290 nan 0.000 0.556 193 D N 1.927 122.357 120.400 0.049 0.000 2.380 193 D HA 0.248 4.893 4.640 0.009 0.000 0.230 193 D C -1.205 175.115 176.300 0.033 0.000 1.154 193 D CA -2.277 51.735 54.000 0.020 0.000 0.859 193 D CB 1.899 42.694 40.800 -0.009 0.000 1.045 193 D HN 0.040 nan 8.370 nan 0.000 0.495 194 P HA -0.054 nan 4.420 nan 0.000 0.226 194 P C 1.218 178.590 177.300 0.119 0.000 1.153 194 P CA 0.649 63.796 63.100 0.078 0.000 0.777 194 P CB 0.124 31.855 31.700 0.050 0.000 0.794 195 M N -1.206 118.395 119.600 0.002 0.000 2.633 195 M HA 0.076 4.562 4.480 0.009 0.000 0.226 195 M C 0.619 176.578 176.300 -0.568 0.000 1.137 195 M CA 0.581 55.773 55.300 -0.180 0.000 1.020 195 M CB -0.070 32.440 32.600 -0.150 0.000 1.675 195 M HN -0.172 nan 8.290 nan 0.000 0.500 196 S N 0.780 116.348 115.700 -0.220 0.000 2.440 196 S HA 0.353 4.829 4.470 0.009 0.000 0.142 196 S C -0.959 173.694 174.600 0.089 0.000 1.578 196 S CA -0.495 57.614 58.200 -0.152 0.000 1.260 196 S CB 0.401 63.526 63.200 -0.124 0.000 1.407 196 S HN 0.009 nan 8.310 nan 0.000 0.392 197 V N 3.212 123.325 119.914 0.331 0.000 2.370 197 V HA 0.529 4.655 4.120 0.009 0.000 0.283 197 V C 0.187 176.465 176.094 0.308 0.000 1.023 197 V CA -0.292 62.185 62.300 0.295 0.000 0.857 197 V CB 1.756 33.757 31.823 0.297 0.000 0.985 197 V HN 0.650 nan 8.190 nan 0.000 0.443 198 T N 6.854 121.535 114.554 0.212 0.000 2.770 198 T HA 0.562 4.917 4.350 0.009 0.000 0.283 198 T C -0.214 174.619 174.700 0.221 0.000 0.988 198 T CA -0.288 61.934 62.100 0.204 0.000 0.957 198 T CB 0.705 69.636 68.868 0.105 0.000 0.930 198 T HN 0.337 nan 8.240 nan 0.000 0.443 199 L N 5.266 126.589 121.223 0.166 0.000 2.326 199 L HA 0.662 5.007 4.340 0.009 0.000 0.278 199 L C -0.395 176.664 176.870 0.315 0.000 1.092 199 L CA -0.758 54.142 54.840 0.100 0.000 0.810 199 L CB 0.365 42.245 42.059 -0.299 0.000 1.153 199 L HN 0.621 nan 8.230 nan 0.000 0.439 200 F N 0.743 120.754 119.950 0.102 0.000 2.613 200 F HA 0.957 5.489 4.527 0.009 0.000 0.310 200 F C -0.371 175.448 175.800 0.030 0.000 1.085 200 F CA -1.412 56.703 58.000 0.192 0.000 0.945 200 F CB 1.629 40.874 39.000 0.409 0.000 1.298 200 F HN 0.480 nan 8.300 nan 0.000 0.455 201 G N 1.175 109.866 108.800 -0.181 0.000 2.547 201 G HA2 0.484 4.450 3.960 0.009 0.000 0.291 201 G HA3 0.484 4.450 3.960 0.009 0.000 0.291 201 G C -2.591 172.119 174.900 -0.317 0.000 1.471 201 G CA -0.782 43.813 45.100 -0.842 0.000 0.798 201 G HN 0.891 nan 8.290 nan 0.000 0.504 202 E N 0.236 120.196 120.200 -0.399 0.000 2.288 202 E HA 0.661 5.016 4.350 0.009 0.000 0.268 202 E C 0.749 177.310 176.600 -0.064 0.000 0.885 202 E CA 0.343 56.735 56.400 -0.014 0.000 0.767 202 E CB 2.215 32.058 29.700 0.238 0.000 1.220 202 E HN 1.073 nan 8.360 nan 0.000 0.427 203 S N 2.697 118.439 115.700 0.069 0.000 4.112 203 S HA -0.405 4.071 4.470 0.009 0.000 0.602 203 S C 1.520 176.246 174.600 0.210 0.000 1.939 203 S CA 2.631 60.954 58.200 0.204 0.000 4.230 203 S CB -1.639 61.607 63.200 0.077 0.000 0.245 203 S HN 1.030 nan 8.310 nan 0.000 0.530 204 A N 1.019 123.828 122.820 -0.019 0.000 1.978 204 A HA 0.158 4.484 4.320 0.009 0.000 0.220 204 A C 2.557 179.875 177.584 -0.442 0.000 1.170 204 A CA 2.427 54.261 52.037 -0.338 0.000 0.636 204 A CB -1.614 16.839 19.000 -0.910 0.000 0.810 204 A HN 1.639 nan 8.150 nan 0.000 0.448 205 G N -0.707 107.884 108.800 -0.348 0.000 2.422 205 G HA2 0.055 4.021 3.960 0.009 0.000 0.218 205 G HA3 0.055 4.021 3.960 0.009 0.000 0.218 205 G C 1.676 176.400 174.900 -0.293 0.000 1.140 205 G CA 1.263 46.111 45.100 -0.421 0.000 0.775 205 G HN 0.756 nan 8.290 nan 0.000 0.545 206 A N 1.244 123.971 122.820 -0.156 0.000 1.898 206 A HA 0.323 4.648 4.320 0.009 0.000 0.216 206 A C 2.823 180.394 177.584 -0.022 0.000 1.181 206 A CA 2.074 54.084 52.037 -0.045 0.000 0.620 206 A CB -0.804 18.234 19.000 0.064 0.000 0.819 206 A HN 0.724 nan 8.150 nan 0.000 0.442 207 A N -0.131 122.698 122.820 0.016 0.000 1.883 207 A HA -0.124 4.202 4.320 0.009 0.000 0.217 207 A C 2.443 180.036 177.584 0.015 0.000 1.186 207 A CA 2.250 54.288 52.037 0.002 0.000 0.624 207 A CB -1.009 18.023 19.000 0.053 0.000 0.822 207 A HN 0.484 nan 8.150 nan 0.000 0.444 208 S N -0.320 115.381 115.700 0.002 0.000 2.359 208 S HA -0.178 4.298 4.470 0.009 0.000 0.223 208 S C 1.881 176.458 174.600 -0.039 0.000 1.039 208 S CA 1.543 59.717 58.200 -0.043 0.000 1.042 208 S CB -0.757 62.349 63.200 -0.157 0.000 0.915 208 S HN 0.349 nan 8.310 nan 0.000 0.439 209 V N 1.824 121.713 119.914 -0.041 0.000 2.324 209 V HA -0.209 3.917 4.120 0.009 0.000 0.250 209 V C 2.639 178.734 176.094 0.002 0.000 1.060 209 V CA 2.058 64.341 62.300 -0.028 0.000 1.042 209 V CB -1.559 30.221 31.823 -0.070 0.000 0.650 209 V HN 0.620 nan 8.190 nan 0.000 0.450 210 G N -1.150 107.646 108.800 -0.007 0.000 2.418 210 G HA2 -0.280 3.685 3.960 0.009 0.000 0.217 210 G HA3 -0.280 3.685 3.960 0.009 0.000 0.217 210 G C 1.626 176.546 174.900 0.032 0.000 1.158 210 G CA 1.058 46.160 45.100 0.004 0.000 0.771 210 G HN 0.436 nan 8.290 nan 0.000 0.545 211 M N -0.009 119.589 119.600 -0.004 0.000 2.149 211 M HA -0.043 4.443 4.480 0.009 0.000 0.261 211 M C 2.328 178.685 176.300 0.095 0.000 1.064 211 M CA 1.067 56.387 55.300 0.034 0.000 1.102 211 M CB -0.249 32.339 32.600 -0.019 0.000 1.369 211 M HN 0.233 nan 8.290 nan 0.000 0.408 212 H N -0.418 118.769 119.070 0.194 0.000 2.389 212 H HA -0.016 4.546 4.556 0.009 0.000 0.299 212 H C 2.126 177.657 175.328 0.338 0.000 1.081 212 H CA 1.460 57.634 56.048 0.210 0.000 1.345 212 H CB -0.383 29.388 29.762 0.014 0.000 1.393 212 H HN 0.419 nan 8.280 nan 0.000 0.520 213 I N 0.655 121.476 120.570 0.420 0.000 2.423 213 I HA -0.229 3.947 4.170 0.009 0.000 0.254 213 I C 1.712 178.005 176.117 0.295 0.000 1.151 213 I CA 1.064 62.625 61.300 0.435 0.000 1.421 213 I CB -0.008 38.157 38.000 0.274 0.000 1.079 213 I HN 0.117 nan 8.210 nan 0.000 0.431 214 L N -1.183 120.167 121.223 0.211 0.000 2.693 214 L HA 0.174 4.519 4.340 0.009 0.000 0.235 214 L C 0.727 177.645 176.870 0.080 0.000 1.127 214 L CA 0.031 54.970 54.840 0.165 0.000 0.914 214 L CB 0.364 42.503 42.059 0.132 0.000 1.193 214 L HN -0.046 nan 8.230 nan 0.000 0.502 215 S N 0.253 115.970 115.700 0.029 0.000 2.566 215 S HA 0.268 4.743 4.470 0.009 0.000 0.324 215 S C 1.094 175.625 174.600 -0.116 0.000 1.081 215 S CA -0.571 57.530 58.200 -0.164 0.000 1.105 215 S CB 0.963 63.813 63.200 -0.583 0.000 0.981 215 S HN 0.086 nan 8.310 nan 0.000 0.464 216 L N 5.739 126.902 121.223 -0.100 0.000 2.010 216 L HA -0.081 4.265 4.340 0.009 0.000 0.219 216 L C -0.813 176.013 176.870 -0.074 0.000 1.077 216 L CA 2.404 57.200 54.840 -0.073 0.000 0.773 216 L CB -2.113 39.905 42.059 -0.068 0.000 0.892 216 L HN 0.511 nan 8.230 nan 0.000 0.436 217 P HA -0.047 nan 4.420 nan 0.000 0.228 217 P C 1.466 178.754 177.300 -0.019 0.000 1.151 217 P CA 0.876 63.937 63.100 -0.066 0.000 0.770 217 P CB 0.118 31.769 31.700 -0.081 0.000 0.786 218 S N -1.080 114.627 115.700 0.012 0.000 2.503 218 S HA 0.082 4.558 4.470 0.009 0.000 0.217 218 S C 1.746 176.440 174.600 0.158 0.000 0.999 218 S CA 0.081 58.385 58.200 0.174 0.000 0.914 218 S CB -0.219 63.226 63.200 0.409 0.000 0.782 218 S HN 0.040 nan 8.310 nan 0.000 0.520 219 R N 2.257 122.751 120.500 -0.009 0.000 2.189 219 R HA 0.045 4.390 4.340 0.009 0.000 0.223 219 R C 2.115 178.187 176.300 -0.380 0.000 1.092 219 R CA 1.134 57.070 56.100 -0.273 0.000 0.989 219 R CB -1.009 29.185 30.300 -0.176 0.000 0.876 219 R HN 0.556 nan 8.270 nan 0.000 0.457 220 S N -0.031 115.549 115.700 -0.200 0.000 2.522 220 S HA 0.054 4.530 4.470 0.009 0.000 0.227 220 S C 1.677 176.160 174.600 -0.195 0.000 0.986 220 S CA 0.305 58.393 58.200 -0.187 0.000 0.929 220 S CB -0.083 63.063 63.200 -0.090 0.000 0.769 220 S HN 0.219 nan 8.310 nan 0.000 0.529 221 L N 1.021 122.173 121.223 -0.117 0.000 2.653 221 L HA 0.496 4.842 4.340 0.009 0.000 0.231 221 L C -0.138 176.774 176.870 0.069 0.000 1.153 221 L CA -0.421 54.420 54.840 0.000 0.000 0.933 221 L CB -0.471 41.645 42.059 0.095 0.000 1.175 221 L HN 0.455 nan 8.230 nan 0.000 0.473 222 F N -4.015 115.742 119.950 -0.321 0.000 2.770 222 F HA 0.405 4.937 4.527 0.008 0.000 0.313 222 F C -0.062 175.427 175.800 -0.518 0.000 1.154 222 F CA -1.094 56.720 58.000 -0.311 0.000 0.923 222 F CB 0.801 39.754 39.000 -0.078 0.000 1.301 222 F HN -0.129 nan 8.300 nan 0.000 0.449 223 H N -0.766 118.345 119.070 0.068 0.000 3.255 223 H HA 0.535 5.097 4.556 0.009 0.000 0.256 223 H C -0.280 175.073 175.328 0.043 0.000 1.049 223 H CA -0.167 55.849 56.048 -0.053 0.000 1.202 223 H CB 0.767 30.508 29.762 -0.036 0.000 1.497 223 H HN 0.443 nan 8.280 nan 0.000 0.503 224 R N 0.168 120.876 120.500 0.347 0.000 2.643 224 R HA 0.748 5.094 4.340 0.009 0.000 0.269 224 R C -1.704 174.852 176.300 0.427 0.000 1.037 224 R CA -0.697 55.572 56.100 0.281 0.000 0.894 224 R CB 2.536 32.823 30.300 -0.021 0.000 1.238 224 R HN 0.169 nan 8.270 nan 0.000 0.459 225 A N 1.660 124.738 122.820 0.430 0.000 2.515 225 A HA 0.738 5.063 4.320 0.009 0.000 0.298 225 A C -1.479 176.264 177.584 0.266 0.000 1.059 225 A CA -0.586 51.637 52.037 0.310 0.000 0.698 225 A CB 2.039 21.192 19.000 0.256 0.000 1.289 225 A HN 0.308 nan 8.150 nan 0.000 0.404 226 V N 2.093 122.124 119.914 0.195 0.000 2.577 226 V HA 0.478 4.603 4.120 0.009 0.000 0.303 226 V C -1.276 174.921 176.094 0.171 0.000 1.042 226 V CA -0.272 62.095 62.300 0.113 0.000 0.872 226 V CB 1.388 33.284 31.823 0.122 0.000 0.998 226 V HN 0.691 nan 8.190 nan 0.000 0.423 227 L N 5.297 126.592 121.223 0.120 0.000 2.324 227 L HA 0.523 4.869 4.340 0.009 0.000 0.274 227 L C 0.021 177.003 176.870 0.187 0.000 1.012 227 L CA 0.023 54.933 54.840 0.117 0.000 0.859 227 L CB 1.396 43.476 42.059 0.036 0.000 1.224 227 L HN 0.599 nan 8.230 nan 0.000 0.429 228 Q N 1.701 121.669 119.800 0.280 0.000 2.296 228 Q HA 0.426 4.772 4.340 0.009 0.000 0.257 228 Q C 0.333 176.485 176.000 0.253 0.000 0.942 228 Q CA -0.444 55.581 55.803 0.370 0.000 0.939 228 Q CB 1.173 30.215 28.738 0.506 0.000 1.198 228 Q HN 0.635 nan 8.270 nan 0.000 0.429 229 S N 0.933 116.772 115.700 0.232 0.000 3.581 229 S HA -0.178 4.298 4.470 0.009 0.000 0.354 229 S C 0.056 174.882 174.600 0.377 0.000 1.059 229 S CA 0.508 58.882 58.200 0.290 0.000 1.060 229 S CB -1.314 62.058 63.200 0.288 0.000 0.908 229 S HN 0.999 nan 8.310 nan 0.000 0.475 230 G N -0.613 108.354 108.800 0.279 0.000 2.519 230 G HA2 0.659 4.625 3.960 0.009 0.000 0.292 230 G HA3 0.659 4.625 3.960 0.009 0.000 0.292 230 G C -0.925 174.053 174.900 0.131 0.000 1.507 230 G CA 0.219 45.531 45.100 0.354 0.000 0.806 230 G HN 1.046 nan 8.290 nan 0.000 0.523 231 T N -1.581 112.980 114.554 0.010 0.000 2.853 231 T HA 0.755 5.111 4.350 0.009 0.000 0.311 231 T C -2.308 172.240 174.700 -0.253 0.000 1.307 231 T CA -1.133 60.892 62.100 -0.124 0.000 1.019 231 T CB 2.933 71.716 68.868 -0.142 0.000 1.264 231 T HN 0.307 nan 8.240 nan 0.000 0.497 232 P HA -0.041 nan 4.420 nan 0.000 0.215 232 P C 0.402 177.546 177.300 -0.261 0.000 1.157 232 P CA 0.800 63.782 63.100 -0.196 0.000 0.859 232 P CB -0.319 31.319 31.700 -0.102 0.000 0.786 233 N N 1.119 119.689 118.700 -0.216 0.000 2.340 233 N HA 0.209 4.954 4.740 0.009 0.000 0.236 233 N C 0.840 176.150 175.510 -0.334 0.000 1.296 233 N CA 1.098 54.016 53.050 -0.220 0.000 0.896 233 N CB -0.206 38.190 38.487 -0.152 0.000 1.127 233 N HN 0.335 nan 8.380 nan 0.000 0.442 234 G N -0.575 108.041 108.800 -0.307 0.000 2.423 234 G HA2 -0.083 3.882 3.960 0.009 0.000 0.684 234 G HA3 -0.083 3.882 3.960 0.009 0.000 0.684 234 G C -2.300 172.374 174.900 -0.378 0.000 1.309 234 G CA -0.278 44.588 45.100 -0.390 0.000 0.950 234 G HN 0.534 nan 8.290 nan 0.000 0.587 235 P HA 0.118 nan 4.420 nan 0.000 0.241 235 P C 1.220 178.465 177.300 -0.091 0.000 1.191 235 P CA 1.818 64.793 63.100 -0.209 0.000 0.771 235 P CB -0.054 31.487 31.700 -0.265 0.000 0.929 236 W N -2.062 119.140 121.300 -0.162 0.000 2.782 236 W HA 0.529 5.194 4.660 0.008 0.000 0.268 236 W C 0.962 177.542 176.519 0.101 0.000 1.043 236 W CA 0.441 57.763 57.345 -0.038 0.000 1.387 236 W CB -0.589 28.875 29.460 0.006 0.000 0.904 236 W HN -0.177 nan 8.180 nan 0.000 0.625 237 A N 2.122 124.614 122.820 -0.546 0.000 2.119 237 A HA 0.159 4.485 4.320 0.009 0.000 0.216 237 A C 1.111 178.542 177.584 -0.256 0.000 1.152 237 A CA 1.837 53.619 52.037 -0.424 0.000 0.708 237 A CB -0.756 17.762 19.000 -0.803 0.000 0.805 237 A HN 0.261 nan 8.150 nan 0.000 0.460 238 T N -3.406 111.017 114.554 -0.219 0.000 2.865 238 T HA 0.619 4.974 4.350 0.009 0.000 0.294 238 T C -0.596 174.028 174.700 -0.126 0.000 1.119 238 T CA -0.111 61.873 62.100 -0.193 0.000 1.007 238 T CB 1.411 70.175 68.868 -0.172 0.000 1.225 238 T HN 0.866 nan 8.240 nan 0.000 0.515 239 V N -1.093 118.755 119.914 -0.111 0.000 3.074 239 V HA 0.919 5.044 4.120 0.009 0.000 0.314 239 V C 0.366 176.421 176.094 -0.066 0.000 1.117 239 V CA -0.740 61.511 62.300 -0.082 0.000 1.014 239 V CB 1.298 33.074 31.823 -0.078 0.000 1.057 239 V HN 1.397 nan 8.190 nan 0.000 0.438 240 S N 1.584 117.252 115.700 -0.055 0.000 2.608 240 S HA 0.602 5.078 4.470 0.009 0.000 0.261 240 S C 1.410 175.992 174.600 -0.030 0.000 1.314 240 S CA 0.121 58.297 58.200 -0.040 0.000 0.992 240 S CB 1.145 64.322 63.200 -0.039 0.000 0.935 240 S HN 1.931 nan 8.310 nan 0.000 0.564 241 A N 1.737 124.545 122.820 -0.019 0.000 1.865 241 A HA 0.096 4.422 4.320 0.009 0.000 0.217 241 A C 2.264 179.839 177.584 -0.014 0.000 1.191 241 A CA 1.877 53.908 52.037 -0.010 0.000 0.623 241 A CB -1.955 17.043 19.000 -0.004 0.000 0.826 241 A HN 1.211 nan 8.150 nan 0.000 0.444 242 G N -0.616 108.173 108.800 -0.019 0.000 2.442 242 G HA2 -0.260 3.705 3.960 0.009 0.000 0.219 242 G HA3 -0.260 3.705 3.960 0.009 0.000 0.219 242 G C 1.485 176.367 174.900 -0.029 0.000 1.141 242 G CA 1.485 46.571 45.100 -0.022 0.000 0.763 242 G HN 0.588 nan 8.290 nan 0.000 0.554 243 E N 0.903 121.080 120.200 -0.038 0.000 2.107 243 E HA 0.144 4.499 4.350 0.009 0.000 0.191 243 E C 2.640 179.208 176.600 -0.054 0.000 0.982 243 E CA 1.285 57.654 56.400 -0.053 0.000 0.809 243 E CB -0.533 29.128 29.700 -0.066 0.000 0.756 243 E HN 0.261 nan 8.360 nan 0.000 0.459 244 A N 0.865 123.666 122.820 -0.033 0.000 1.933 244 A HA -0.161 4.164 4.320 0.009 0.000 0.218 244 A C 2.280 179.875 177.584 0.018 0.000 1.175 244 A CA 1.672 53.709 52.037 -0.000 0.000 0.628 244 A CB -0.587 18.430 19.000 0.028 0.000 0.814 244 A HN 0.262 nan 8.150 nan 0.000 0.444 245 R N -0.491 120.009 120.500 0.001 0.000 2.073 245 R HA -0.141 4.205 4.340 0.009 0.000 0.234 245 R C 2.451 178.748 176.300 -0.004 0.000 1.134 245 R CA 1.690 57.789 56.100 -0.002 0.000 0.952 245 R CB -0.316 29.979 30.300 -0.010 0.000 0.850 245 R HN 0.527 nan 8.270 nan 0.000 0.433 246 R N 0.304 120.793 120.500 -0.018 0.000 2.091 246 R HA -0.135 4.211 4.340 0.009 0.000 0.238 246 R C 2.258 178.547 176.300 -0.018 0.000 1.136 246 R CA 1.826 57.911 56.100 -0.025 0.000 0.959 246 R CB -0.075 30.200 30.300 -0.040 0.000 0.856 246 R HN 0.262 nan 8.270 nan 0.000 0.437 247 R N -0.330 120.152 120.500 -0.029 0.000 2.075 247 R HA -0.047 4.298 4.340 0.009 0.000 0.232 247 R C 2.342 178.726 176.300 0.141 0.000 1.126 247 R CA 1.237 57.315 56.100 -0.037 0.000 0.963 247 R CB -0.283 29.873 30.300 -0.241 0.000 0.858 247 R HN 0.242 nan 8.270 nan 0.000 0.435 248 A N 0.575 123.503 122.820 0.181 0.000 1.877 248 A HA -0.144 4.181 4.320 0.009 0.000 0.216 248 A C 2.179 179.787 177.584 0.040 0.000 1.186 248 A CA 1.902 54.029 52.037 0.149 0.000 0.620 248 A CB -0.861 18.158 19.000 0.032 0.000 0.822 248 A HN 0.254 nan 8.150 nan 0.000 0.443 249 T N 0.175 114.738 114.554 0.014 0.000 2.720 249 T HA -0.150 4.205 4.350 0.009 0.000 0.268 249 T C 1.834 176.536 174.700 0.002 0.000 1.037 249 T CA 1.577 63.672 62.100 -0.008 0.000 1.144 249 T CB -0.373 68.488 68.868 -0.012 0.000 0.864 249 T HN 0.308 nan 8.240 nan 0.000 0.444 250 L N 1.025 122.259 121.223 0.019 0.000 2.056 250 L HA 0.107 4.453 4.340 0.009 0.000 0.207 250 L C 2.185 179.079 176.870 0.040 0.000 1.078 250 L CA 1.456 56.307 54.840 0.020 0.000 0.749 250 L CB -1.021 41.046 42.059 0.012 0.000 0.901 250 L HN 0.202 nan 8.230 nan 0.000 0.433 251 L N -0.057 121.223 121.223 0.094 0.000 2.017 251 L HA -0.114 4.232 4.340 0.009 0.000 0.208 251 L C 2.547 179.421 176.870 0.007 0.000 1.073 251 L CA 2.092 56.995 54.840 0.106 0.000 0.745 251 L CB -0.959 41.224 42.059 0.206 0.000 0.894 251 L HN 0.291 nan 8.230 nan 0.000 0.432 252 A N -0.282 122.528 122.820 -0.017 0.000 1.884 252 A HA -0.338 3.988 4.320 0.009 0.000 0.219 252 A C 2.506 180.062 177.584 -0.047 0.000 1.197 252 A CA 2.330 54.340 52.037 -0.046 0.000 0.637 252 A CB -0.783 18.185 19.000 -0.053 0.000 0.827 252 A HN 0.526 nan 8.150 nan 0.000 0.450 253 R N -0.684 119.794 120.500 -0.037 0.000 2.073 253 R HA -0.039 4.307 4.340 0.009 0.000 0.234 253 R C 2.072 178.329 176.300 -0.073 0.000 1.134 253 R CA 1.510 57.585 56.100 -0.042 0.000 0.952 253 R CB -0.433 29.849 30.300 -0.028 0.000 0.850 253 R HN 0.553 nan 8.270 nan 0.000 0.433 254 L N 0.355 121.523 121.223 -0.091 0.000 2.187 254 L HA -0.132 4.214 4.340 0.009 0.000 0.213 254 L C 1.795 178.440 176.870 -0.376 0.000 1.100 254 L CA 0.935 55.660 54.840 -0.192 0.000 0.765 254 L CB -0.138 41.837 42.059 -0.140 0.000 0.904 254 L HN 0.223 nan 8.230 nan 0.000 0.437 255 V N -3.784 115.969 119.914 -0.269 0.000 3.444 255 V HA 0.480 4.605 4.120 0.009 0.000 0.308 255 V C 1.087 177.124 176.094 -0.096 0.000 1.371 255 V CA 0.184 62.352 62.300 -0.219 0.000 1.141 255 V CB -0.373 31.385 31.823 -0.109 0.000 1.037 255 V HN 0.439 nan 8.190 nan 0.000 0.433 256 G N -0.232 108.518 108.800 -0.083 0.000 2.204 256 G HA2 -0.219 3.746 3.960 0.009 0.000 0.244 256 G HA3 -0.219 3.746 3.960 0.009 0.000 0.244 256 G C -0.060 174.823 174.900 -0.028 0.000 1.062 256 G CA -0.056 45.018 45.100 -0.043 0.000 0.798 256 G HN 0.694 nan 8.290 nan 0.000 0.496 257 c N 1.304 119.884 118.600 -0.033 0.000 3.075 257 c HA 0.406 4.982 4.570 0.009 0.000 0.262 257 c C -1.605 172.470 174.090 -0.025 0.000 1.371 257 c CA -1.733 54.583 56.329 -0.023 0.000 1.594 257 c CB 0.104 42.602 42.510 -0.022 0.000 1.849 257 c HN 0.428 nan 8.230 nan 0.000 0.475 258 P HA 0.035 nan 4.420 nan 0.000 0.259 258 P C -1.766 175.524 177.300 -0.018 0.000 1.163 258 P CA 0.108 63.196 63.100 -0.019 0.000 0.760 258 P CB 0.068 31.760 31.700 -0.014 0.000 0.762 265 N N -0.260 118.437 118.700 -0.006 0.000 2.347 265 N HA 0.295 5.041 4.740 0.009 0.000 0.253 265 N C 0.434 175.939 175.510 -0.010 0.000 1.274 265 N CA -0.380 52.666 53.050 -0.007 0.000 0.941 265 N CB 1.198 39.684 38.487 -0.003 0.000 1.200 265 N HN -0.031 nan 8.380 nan 0.000 0.514 266 D N -1.116 119.277 120.400 -0.011 0.000 2.234 266 D HA -0.053 4.593 4.640 0.009 0.000 0.205 266 D C 1.273 177.565 176.300 -0.013 0.000 0.962 266 D CA 1.136 55.126 54.000 -0.018 0.000 0.855 266 D CB -0.501 40.287 40.800 -0.019 0.000 0.951 266 D HN 0.634 nan 8.370 nan 0.000 0.500 267 T N 1.291 115.844 114.554 -0.002 0.000 2.674 267 T HA -0.144 4.211 4.350 0.009 0.000 0.265 267 T C 1.789 176.494 174.700 0.009 0.000 1.039 267 T CA 1.107 63.212 62.100 0.008 0.000 1.150 267 T CB -0.194 68.680 68.868 0.011 0.000 0.864 267 T HN 0.283 nan 8.240 nan 0.000 0.427 268 E N 0.636 120.839 120.200 0.004 0.000 2.085 268 E HA -0.121 4.234 4.350 0.009 0.000 0.194 268 E C 2.231 178.832 176.600 0.002 0.000 0.994 268 E CA 0.964 57.367 56.400 0.005 0.000 0.801 268 E CB -0.296 29.404 29.700 0.001 0.000 0.743 268 E HN 0.365 nan 8.360 nan 0.000 0.453 269 L N 0.747 121.964 121.223 -0.010 0.000 2.005 269 L HA -0.153 4.193 4.340 0.009 0.000 0.207 269 L C 2.306 179.159 176.870 -0.029 0.000 1.072 269 L CA 1.158 55.983 54.840 -0.024 0.000 0.744 269 L CB -0.081 41.954 42.059 -0.040 0.000 0.895 269 L HN 0.080 nan 8.230 nan 0.000 0.433 270 I N 0.020 120.569 120.570 -0.034 0.000 2.286 270 I HA -0.283 3.893 4.170 0.009 0.000 0.248 270 I C 2.725 178.889 176.117 0.078 0.000 1.115 270 I CA 1.121 62.409 61.300 -0.020 0.000 1.392 270 I CB -0.572 37.416 38.000 -0.019 0.000 1.065 270 I HN 0.350 nan 8.210 nan 0.000 0.418 271 A N -0.305 122.548 122.820 0.056 0.000 1.908 271 A HA -0.302 4.024 4.320 0.009 0.000 0.218 271 A C 2.534 180.155 177.584 0.062 0.000 1.181 271 A CA 2.020 54.095 52.037 0.063 0.000 0.627 271 A CB -1.382 17.642 19.000 0.039 0.000 0.818 271 A HN 0.620 nan 8.150 nan 0.000 0.445 272 c N -0.606 118.020 118.600 0.042 0.000 2.432 272 c HA -0.013 4.562 4.570 0.009 0.000 0.277 272 c C 2.617 176.741 174.090 0.057 0.000 1.249 272 c CA 1.096 57.446 56.329 0.036 0.000 1.725 272 c CB -1.584 40.935 42.510 0.014 0.000 2.028 272 c HN 0.597 nan 8.230 nan 0.000 0.477 273 L N 0.409 121.676 121.223 0.074 0.000 2.042 273 L HA -0.163 4.182 4.340 0.009 0.000 0.210 273 L C 2.953 179.957 176.870 0.222 0.000 1.076 273 L CA 1.694 56.616 54.840 0.137 0.000 0.749 273 L CB -0.664 41.458 42.059 0.104 0.000 0.893 273 L HN 0.364 nan 8.230 nan 0.000 0.432 274 R N -0.607 120.035 120.500 0.237 0.000 2.241 274 R HA -0.115 4.230 4.340 0.009 0.000 0.224 274 R C 2.056 178.391 176.300 0.058 0.000 1.101 274 R CA 1.611 57.788 56.100 0.128 0.000 0.995 274 R CB -0.385 29.980 30.300 0.109 0.000 0.870 274 R HN 0.525 nan 8.270 nan 0.000 0.463 275 T N -1.943 112.647 114.554 0.061 0.000 3.100 275 T HA 0.128 4.483 4.350 0.009 0.000 0.253 275 T C 0.854 175.575 174.700 0.035 0.000 1.118 275 T CA -0.166 61.956 62.100 0.037 0.000 1.058 275 T CB 0.208 69.096 68.868 0.032 0.000 0.953 275 T HN -0.157 nan 8.240 nan 0.000 0.515 276 R N 2.639 123.168 120.500 0.047 0.000 2.357 276 R HA 0.447 4.792 4.340 0.009 0.000 0.296 276 R C -2.746 173.576 176.300 0.036 0.000 1.052 276 R CA -2.765 53.362 56.100 0.044 0.000 0.988 276 R CB 0.262 30.594 30.300 0.052 0.000 1.025 276 R HN 0.232 nan 8.270 nan 0.000 0.469 277 P HA -0.026 nan 4.420 nan 0.000 0.266 277 P C 0.255 177.547 177.300 -0.012 0.000 1.193 277 P CA 0.238 63.341 63.100 0.005 0.000 0.770 277 P CB 0.578 32.289 31.700 0.018 0.000 0.836 278 A N 2.666 125.421 122.820 -0.108 0.000 1.940 278 A HA -0.265 4.060 4.320 0.009 0.000 0.219 278 A C 2.143 179.610 177.584 -0.195 0.000 1.176 278 A CA 1.798 53.740 52.037 -0.158 0.000 0.631 278 A CB -1.129 17.433 19.000 -0.730 0.000 0.814 278 A HN 0.523 nan 8.150 nan 0.000 0.446 279 Q N 0.202 119.863 119.800 -0.231 0.000 2.170 279 Q HA -0.160 4.185 4.340 0.009 0.000 0.203 279 Q C 1.227 177.296 176.000 0.115 0.000 0.976 279 Q CA 1.983 57.797 55.803 0.018 0.000 0.858 279 Q CB -0.394 28.412 28.738 0.113 0.000 0.907 279 Q HN 0.645 nan 8.270 nan 0.000 0.433 280 D N -0.498 119.965 120.400 0.105 0.000 2.117 280 D HA -0.143 4.503 4.640 0.009 0.000 0.197 280 D C 1.748 178.184 176.300 0.227 0.000 0.987 280 D CA 1.078 55.189 54.000 0.184 0.000 0.829 280 D CB -0.165 40.730 40.800 0.158 0.000 0.961 280 D HN 0.298 nan 8.370 nan 0.000 0.460 281 L N 0.138 121.437 121.223 0.126 0.000 2.017 281 L HA -0.133 4.213 4.340 0.009 0.000 0.208 281 L C 2.495 179.445 176.870 0.133 0.000 1.073 281 L CA 0.700 55.576 54.840 0.061 0.000 0.745 281 L CB -0.663 41.283 42.059 -0.188 0.000 0.894 281 L HN -0.023 nan 8.230 nan 0.000 0.432 282 V N 0.090 120.126 119.914 0.203 0.000 2.287 282 V HA -0.300 3.826 4.120 0.009 0.000 0.248 282 V C 2.025 178.246 176.094 0.212 0.000 1.053 282 V CA 1.997 64.474 62.300 0.295 0.000 1.027 282 V CB -0.610 31.485 31.823 0.454 0.000 0.646 282 V HN 0.430 nan 8.190 nan 0.000 0.447 283 D N -1.245 119.251 120.400 0.160 0.000 2.311 283 D HA -0.144 4.501 4.640 0.009 0.000 0.212 283 D C 1.826 178.038 176.300 -0.146 0.000 0.972 283 D CA 1.235 55.237 54.000 0.003 0.000 0.887 283 D CB -0.161 40.601 40.800 -0.065 0.000 0.915 283 D HN 0.584 nan 8.370 nan 0.000 0.497 284 H N -1.002 118.175 119.070 0.179 0.000 3.255 284 H HA 0.146 4.708 4.556 0.009 0.000 0.256 284 H C 1.552 177.004 175.328 0.207 0.000 1.049 284 H CA -0.121 56.088 56.048 0.269 0.000 1.202 284 H CB 0.705 30.614 29.762 0.245 0.000 1.497 284 H HN 0.185 nan 8.280 nan 0.000 0.503 285 E N 0.845 121.211 120.200 0.277 0.000 2.149 285 E HA -0.280 4.076 4.350 0.009 0.000 0.215 285 E C 1.670 178.371 176.600 0.169 0.000 1.055 285 E CA 1.904 58.495 56.400 0.318 0.000 0.870 285 E CB -0.184 29.679 29.700 0.272 0.000 0.764 285 E HN 0.433 nan 8.360 nan 0.000 0.463 286 W N 0.338 121.490 121.300 -0.248 0.000 2.465 286 W HA -0.103 4.562 4.660 0.009 0.000 0.268 286 W C 1.450 177.810 176.519 -0.264 0.000 1.242 286 W CA 1.543 58.677 57.345 -0.351 0.000 1.248 286 W CB -0.069 29.072 29.460 -0.532 0.000 1.118 286 W HN 0.221 nan 8.180 nan 0.000 0.587 287 H N -1.068 118.077 119.070 0.125 0.000 2.547 287 H HA -0.006 4.556 4.556 0.009 0.000 0.266 287 H C 2.011 177.283 175.328 -0.094 0.000 0.988 287 H CA 0.994 57.050 56.048 0.013 0.000 1.147 287 H CB 0.049 29.919 29.762 0.180 0.000 1.365 287 H HN 0.165 nan 8.280 nan 0.000 0.589 288 V N -1.632 118.257 119.914 -0.041 0.000 3.647 288 V HA 0.181 4.307 4.120 0.009 0.000 0.279 288 V C 0.508 176.476 176.094 -0.209 0.000 1.314 288 V CA -0.120 62.121 62.300 -0.099 0.000 1.125 288 V CB -0.525 31.245 31.823 -0.088 0.000 0.907 288 V HN 0.124 nan 8.190 nan 0.000 0.434 289 L N 2.198 123.241 121.223 -0.299 0.000 2.426 289 L HA 0.284 4.629 4.340 0.009 0.000 0.271 289 L C -0.459 176.267 176.870 -0.241 0.000 1.169 289 L CA -1.027 53.628 54.840 -0.309 0.000 0.836 289 L CB 0.860 42.671 42.059 -0.412 0.000 1.112 289 L HN 0.139 nan 8.230 nan 0.000 0.465 290 P HA -0.027 nan 4.420 nan 0.000 0.231 290 P C -0.426 176.795 177.300 -0.133 0.000 1.168 290 P CA 0.788 63.804 63.100 -0.141 0.000 0.779 290 P CB 0.573 32.205 31.700 -0.113 0.000 0.844 291 Q N -0.972 118.734 119.800 -0.156 0.000 2.456 291 Q HA 0.320 4.666 4.340 0.009 0.000 0.284 291 Q C -0.687 175.214 176.000 -0.165 0.000 1.061 291 Q CA -0.750 54.976 55.803 -0.129 0.000 0.799 291 Q CB 1.425 30.107 28.738 -0.092 0.000 1.445 291 Q HN -0.059 nan 8.270 nan 0.000 0.411 292 E N 0.966 121.094 120.200 -0.120 0.000 2.465 292 E HA 0.306 4.662 4.350 0.009 0.000 0.260 292 E C -0.926 175.628 176.600 -0.077 0.000 0.980 292 E CA 0.294 56.638 56.400 -0.093 0.000 0.927 292 E CB 0.357 30.047 29.700 -0.016 0.000 0.934 292 E HN 0.605 nan 8.360 nan 0.000 0.459 293 S N 3.386 119.044 115.700 -0.071 0.000 2.615 293 S HA 0.556 5.032 4.470 0.009 0.000 0.268 293 S C -0.686 173.894 174.600 -0.034 0.000 1.146 293 S CA -0.950 57.211 58.200 -0.065 0.000 0.818 293 S CB 0.453 63.583 63.200 -0.117 0.000 1.111 293 S HN 0.607 nan 8.310 nan 0.000 0.465 294 I N -2.752 117.794 120.570 -0.040 0.000 2.892 294 I HA 0.847 5.022 4.170 0.009 0.000 0.306 294 I C -0.148 175.892 176.117 -0.129 0.000 1.078 294 I CA -1.151 60.134 61.300 -0.025 0.000 1.032 294 I CB 1.385 39.431 38.000 0.078 0.000 1.229 294 I HN 0.834 nan 8.210 nan 0.000 0.435 295 F N 1.843 121.517 119.950 -0.461 0.000 3.091 295 F HA -0.188 4.345 4.527 0.009 0.000 0.288 295 F C -0.326 174.875 175.800 -0.999 0.000 0.907 295 F CA 0.673 58.124 58.000 -0.915 0.000 1.028 295 F CB -0.630 37.726 39.000 -1.074 0.000 1.022 295 F HN 0.603 nan 8.300 nan 0.000 0.665 296 R N 0.238 120.245 120.500 -0.821 0.000 2.744 296 R HA 0.709 5.055 4.340 0.009 0.000 0.279 296 R C -1.019 174.766 176.300 -0.858 0.000 0.977 296 R CA -0.590 55.090 56.100 -0.700 0.000 0.906 296 R CB 1.524 31.638 30.300 -0.310 0.000 1.197 296 R HN 0.006 nan 8.270 nan 0.000 0.463 297 F N -0.973 118.997 119.950 0.033 0.000 2.578 297 F HA 0.315 4.847 4.527 0.009 0.000 0.311 297 F C 1.346 177.107 175.800 -0.066 0.000 1.094 297 F CA -0.813 57.194 58.000 0.012 0.000 0.923 297 F CB 1.954 41.061 39.000 0.178 0.000 1.230 297 F HN 0.364 nan 8.300 nan 0.000 0.450 298 S N 0.633 116.344 115.700 0.018 0.000 2.368 298 S HA -0.008 4.468 4.470 0.009 0.000 0.224 298 S C -0.044 174.199 174.600 -0.594 0.000 1.029 298 S CA 1.133 59.112 58.200 -0.368 0.000 0.988 298 S CB -0.203 62.722 63.200 -0.458 0.000 0.838 298 S HN 0.356 nan 8.310 nan 0.000 0.462 299 F N 1.638 121.689 119.950 0.169 0.000 2.434 299 F HA 0.580 5.112 4.527 0.009 0.000 0.355 299 F C -0.072 175.779 175.800 0.084 0.000 1.115 299 F CA -1.036 57.064 58.000 0.167 0.000 1.010 299 F CB 1.494 40.636 39.000 0.237 0.000 1.234 299 F HN -0.089 nan 8.300 nan 0.000 0.439 300 V N 0.748 120.646 119.914 -0.026 0.000 3.182 300 V HA 0.763 4.888 4.120 0.009 0.000 0.308 300 V C -2.934 172.800 176.094 -0.600 0.000 1.240 300 V CA -3.301 58.645 62.300 -0.589 0.000 1.063 300 V CB 2.093 33.755 31.823 -0.268 0.000 1.076 300 V HN 0.247 nan 8.190 nan 0.000 0.446 301 P HA 0.125 nan 4.420 nan 0.000 0.263 301 P C -0.572 176.602 177.300 -0.209 0.000 1.175 301 P CA 0.562 63.393 63.100 -0.448 0.000 0.761 301 P CB 0.538 31.921 31.700 -0.528 0.000 0.794 302 V N 5.316 125.184 119.914 -0.076 0.000 2.532 302 V HA 0.215 4.341 4.120 0.009 0.000 0.295 302 V C -0.169 175.910 176.094 -0.025 0.000 1.041 302 V CA -0.779 61.497 62.300 -0.039 0.000 0.926 302 V CB 1.903 33.733 31.823 0.010 0.000 0.992 302 V HN 0.137 nan 8.190 nan 0.000 0.457 303 V N 7.519 127.418 119.914 -0.025 0.000 2.341 303 V HA 0.163 4.288 4.120 0.009 0.000 0.248 303 V C 0.808 176.911 176.094 0.015 0.000 1.107 303 V CA 0.340 62.638 62.300 -0.004 0.000 1.069 303 V CB 0.055 31.867 31.823 -0.018 0.000 1.177 303 V HN 1.067 nan 8.190 nan 0.000 0.492 304 D N 2.596 123.020 120.400 0.040 0.000 2.350 304 D HA 0.098 4.744 4.640 0.009 0.000 0.213 304 D C 1.511 177.838 176.300 0.045 0.000 1.031 304 D CA 0.627 54.655 54.000 0.046 0.000 0.861 304 D CB 0.295 41.135 40.800 0.067 0.000 0.926 304 D HN 0.654 nan 8.370 nan 0.000 0.520 305 G N 0.689 109.516 108.800 0.045 0.000 2.198 305 G HA2 -0.306 3.660 3.960 0.009 0.000 0.260 305 G HA3 -0.306 3.660 3.960 0.009 0.000 0.260 305 G C 0.218 175.144 174.900 0.044 0.000 1.025 305 G CA 0.751 45.872 45.100 0.035 0.000 0.769 305 G HN 0.540 nan 8.290 nan 0.000 0.507 306 D N -1.792 118.651 120.400 0.073 0.000 2.880 306 D HA 0.197 4.842 4.640 0.009 0.000 0.168 306 D C 1.671 178.030 176.300 0.099 0.000 1.452 306 D CA 0.287 54.335 54.000 0.081 0.000 1.553 306 D CB -0.674 40.186 40.800 0.101 0.000 1.386 306 D HN 0.060 nan 8.370 nan 0.000 0.208 307 F N 1.220 121.183 119.950 0.023 0.000 2.126 307 F HA 0.148 4.680 4.527 0.009 0.000 0.299 307 F C 0.664 176.470 175.800 0.010 0.000 1.096 307 F CA 1.263 59.277 58.000 0.023 0.000 1.255 307 F CB 0.206 39.219 39.000 0.021 0.000 0.997 307 F HN -0.004 nan 8.300 nan 0.000 0.479 308 L N 0.701 122.081 121.223 0.261 0.000 2.324 308 L HA 0.189 4.534 4.340 0.009 0.000 0.274 308 L C 1.264 178.180 176.870 0.075 0.000 1.012 308 L CA -0.287 54.644 54.840 0.151 0.000 0.859 308 L CB 1.332 43.472 42.059 0.135 0.000 1.224 308 L HN 0.027 nan 8.230 nan 0.000 0.429 309 S N 0.109 115.834 115.700 0.042 0.000 2.474 309 S HA -0.002 4.473 4.470 0.009 0.000 0.235 309 S C 0.455 175.066 174.600 0.018 0.000 0.997 309 S CA 0.389 58.602 58.200 0.023 0.000 0.949 309 S CB 0.167 63.370 63.200 0.005 0.000 0.766 309 S HN 0.689 nan 8.310 nan 0.000 0.517 310 D N 0.310 120.722 120.400 0.021 0.000 2.759 310 D HA 0.281 4.926 4.640 0.009 0.000 0.321 310 D C -0.735 175.570 176.300 0.008 0.000 1.267 310 D CA -0.013 53.994 54.000 0.011 0.000 0.933 310 D CB 1.373 42.177 40.800 0.006 0.000 1.431 310 D HN 0.199 nan 8.370 nan 0.000 0.504 311 T N -0.927 113.623 114.554 -0.005 0.000 2.903 311 T HA 0.214 4.569 4.350 0.009 0.000 0.314 311 T C -1.790 172.901 174.700 -0.014 0.000 1.078 311 T CA -0.608 61.480 62.100 -0.020 0.000 1.114 311 T CB 0.987 69.837 68.868 -0.031 0.000 0.987 311 T HN 0.099 nan 8.240 nan 0.000 0.548 312 P HA -0.141 nan 4.420 nan 0.000 0.215 312 P C 1.554 178.844 177.300 -0.016 0.000 1.157 312 P CA 1.623 64.707 63.100 -0.027 0.000 0.868 312 P CB -0.051 31.604 31.700 -0.076 0.000 0.788 313 E N 0.164 120.342 120.200 -0.036 0.000 2.118 313 E HA -0.203 4.153 4.350 0.009 0.000 0.195 313 E C 1.902 178.505 176.600 0.006 0.000 0.992 313 E CA 1.489 57.876 56.400 -0.022 0.000 0.804 313 E CB -1.109 28.569 29.700 -0.037 0.000 0.741 313 E HN 0.112 nan 8.360 nan 0.000 0.458 314 A N 1.213 124.035 122.820 0.004 0.000 1.933 314 A HA -0.064 4.262 4.320 0.009 0.000 0.218 314 A C 2.256 179.862 177.584 0.036 0.000 1.175 314 A CA 1.345 53.390 52.037 0.014 0.000 0.628 314 A CB -0.559 18.444 19.000 0.004 0.000 0.814 314 A HN 0.310 nan 8.150 nan 0.000 0.444 315 L N -0.070 121.184 121.223 0.052 0.000 2.131 315 L HA -0.027 4.319 4.340 0.009 0.000 0.206 315 L C 2.496 179.487 176.870 0.202 0.000 1.087 315 L CA 1.127 56.024 54.840 0.096 0.000 0.767 315 L CB -0.575 41.542 42.059 0.097 0.000 0.917 315 L HN 0.628 nan 8.230 nan 0.000 0.441 316 I N -2.143 118.534 120.570 0.178 0.000 2.614 316 I HA -0.142 4.034 4.170 0.009 0.000 0.258 316 I C 1.721 177.968 176.117 0.216 0.000 1.189 316 I CA 1.322 62.760 61.300 0.230 0.000 1.462 316 I CB -0.391 37.635 38.000 0.044 0.000 1.092 316 I HN 0.231 nan 8.210 nan 0.000 0.442 317 N N 1.504 120.276 118.700 0.121 0.000 2.354 317 N HA -0.070 4.675 4.740 0.009 0.000 0.179 317 N C 1.604 177.160 175.510 0.077 0.000 1.021 317 N CA 1.957 55.059 53.050 0.086 0.000 0.887 317 N CB -0.138 38.376 38.487 0.045 0.000 0.974 317 N HN 0.683 nan 8.380 nan 0.000 0.437 318 T N -4.369 110.222 114.554 0.061 0.000 3.058 318 T HA 0.308 4.663 4.350 0.009 0.000 0.278 318 T C 0.923 175.571 174.700 -0.086 0.000 0.974 318 T CA -0.389 61.710 62.100 -0.002 0.000 0.893 318 T CB 0.144 69.005 68.868 -0.012 0.000 1.138 318 T HN 0.047 nan 8.240 nan 0.000 0.529 319 G N 1.262 109.989 108.800 -0.122 0.000 2.483 319 G HA2 0.401 4.367 3.960 0.009 0.000 0.248 319 G HA3 0.401 4.367 3.960 0.009 0.000 0.248 319 G C -0.941 173.400 174.900 -0.931 0.000 1.248 319 G CA -0.303 44.459 45.100 -0.563 0.000 0.838 319 G HN 0.268 nan 8.290 nan 0.000 0.566 320 D N 0.957 120.846 120.400 -0.850 0.000 2.317 320 D HA 0.317 4.963 4.640 0.009 0.000 0.234 320 D C -0.361 175.507 176.300 -0.719 0.000 1.112 320 D CA -0.683 52.970 54.000 -0.578 0.000 0.840 320 D CB 0.570 41.199 40.800 -0.284 0.000 1.078 320 D HN 0.147 nan 8.370 nan 0.000 0.486 321 F N 1.721 121.675 119.950 0.007 0.000 2.855 321 F HA 0.263 4.796 4.527 0.009 0.000 0.317 321 F C 0.882 176.689 175.800 0.011 0.000 1.169 321 F CA -0.859 57.148 58.000 0.012 0.000 1.299 321 F CB -0.188 38.827 39.000 0.026 0.000 0.962 321 F HN 0.167 nan 8.300 nan 0.000 0.506 322 Q N 1.273 121.118 119.800 0.075 0.000 2.326 322 Q HA -0.075 4.271 4.340 0.009 0.000 0.314 322 Q C -0.044 175.993 176.000 0.062 0.000 1.091 322 Q CA 0.578 56.412 55.803 0.052 0.000 0.974 322 Q CB 0.089 28.831 28.738 0.006 0.000 1.220 322 Q HN 0.185 nan 8.270 nan 0.000 0.398 323 D N 1.455 121.889 120.400 0.057 0.000 5.247 323 D HA -0.095 4.551 4.640 0.009 0.000 0.184 323 D C -1.216 175.131 176.300 0.078 0.000 1.197 323 D CA 0.783 54.823 54.000 0.067 0.000 0.747 323 D CB -0.089 40.740 40.800 0.048 0.000 1.304 323 D HN 0.321 nan 8.370 nan 0.000 0.732 324 L N 2.973 124.266 121.223 0.116 0.000 2.381 324 L HA 0.475 4.820 4.340 0.009 0.000 0.268 324 L C -1.164 175.790 176.870 0.140 0.000 0.997 324 L CA -0.568 54.348 54.840 0.127 0.000 0.818 324 L CB 2.106 44.269 42.059 0.175 0.000 1.310 324 L HN 0.198 nan 8.230 nan 0.000 0.416 325 Q N 3.940 123.843 119.800 0.171 0.000 2.341 325 Q HA 0.689 5.035 4.340 0.009 0.000 0.268 325 Q C -1.112 175.180 176.000 0.487 0.000 1.013 325 Q CA -0.536 55.434 55.803 0.279 0.000 0.798 325 Q CB 2.289 31.142 28.738 0.191 0.000 1.253 325 Q HN 0.586 nan 8.270 nan 0.000 0.457 326 V N 0.358 120.492 119.914 0.368 0.000 2.735 326 V HA 0.760 4.885 4.120 0.009 0.000 0.310 326 V C -1.289 174.750 176.094 -0.091 0.000 1.061 326 V CA -1.211 61.214 62.300 0.208 0.000 0.913 326 V CB 1.727 33.592 31.823 0.070 0.000 1.005 326 V HN 0.648 nan 8.190 nan 0.000 0.428 327 L N 6.308 127.259 121.223 -0.453 0.000 2.305 327 L HA 0.888 5.234 4.340 0.009 0.000 0.284 327 L C -0.271 176.495 176.870 -0.173 0.000 1.013 327 L CA -0.211 54.320 54.840 -0.515 0.000 0.819 327 L CB 1.444 42.783 42.059 -1.200 0.000 1.227 327 L HN 0.999 nan 8.230 nan 0.000 0.417 328 V N 2.191 122.066 119.914 -0.065 0.000 2.960 328 V HA 1.142 5.267 4.120 0.009 0.000 0.315 328 V C -0.013 175.875 176.094 -0.343 0.000 1.087 328 V CA 0.214 62.451 62.300 -0.105 0.000 0.982 328 V CB 1.135 32.862 31.823 -0.159 0.000 1.039 328 V HN 1.165 nan 8.190 nan 0.000 0.437 329 G N 0.485 108.958 108.800 -0.545 0.000 2.342 329 G HA2 0.711 4.677 3.960 0.009 0.000 0.297 329 G HA3 0.711 4.677 3.960 0.009 0.000 0.297 329 G C -1.213 173.393 174.900 -0.491 0.000 1.313 329 G CA 0.153 44.568 45.100 -1.142 0.000 0.830 329 G HN 2.132 nan 8.290 nan 0.000 0.506 330 V N -2.319 117.444 119.914 -0.252 0.000 3.159 330 V HA 0.917 5.042 4.120 0.009 0.000 0.308 330 V C 0.319 176.635 176.094 0.370 0.000 1.190 330 V CA -0.240 62.139 62.300 0.131 0.000 1.037 330 V CB 1.141 33.016 31.823 0.087 0.000 1.060 330 V HN 2.016 nan 8.190 nan 0.000 0.437 331 V N 0.066 120.215 119.914 0.391 0.000 3.262 331 V HA 0.557 4.683 4.120 0.009 0.000 0.313 331 V C 1.350 177.657 176.094 0.355 0.000 1.070 331 V CA 0.079 62.655 62.300 0.460 0.000 1.049 331 V CB 1.076 33.158 31.823 0.433 0.000 1.157 331 V HN 1.084 nan 8.190 nan 0.000 0.454 332 K N -0.691 119.908 120.400 0.331 0.000 2.288 332 K HA 0.024 4.350 4.320 0.009 0.000 0.201 332 K C 0.222 176.957 176.600 0.225 0.000 1.048 332 K CA 1.354 57.789 56.287 0.246 0.000 0.956 332 K CB 0.124 32.743 32.500 0.198 0.000 0.746 332 K HN 0.885 nan 8.250 nan 0.000 0.461 333 D N 0.790 121.333 120.400 0.238 0.000 2.879 333 D HA 0.016 4.661 4.640 0.009 0.000 0.351 333 D C 0.075 176.518 176.300 0.237 0.000 1.239 333 D CA -0.048 54.080 54.000 0.214 0.000 0.771 333 D CB 1.183 42.086 40.800 0.171 0.000 1.176 333 D HN 0.067 nan 8.370 nan 0.000 0.496 334 E N 0.568 120.926 120.200 0.263 0.000 2.114 334 E HA -0.158 4.197 4.350 0.009 0.000 0.199 334 E C 1.986 178.772 176.600 0.309 0.000 1.008 334 E CA 1.061 57.647 56.400 0.309 0.000 0.810 334 E CB 0.009 29.849 29.700 0.234 0.000 0.739 334 E HN 0.454 nan 8.360 nan 0.000 0.456 335 G N 0.766 109.710 108.800 0.239 0.000 2.494 335 G HA2 -0.179 3.787 3.960 0.009 0.000 0.216 335 G HA3 -0.179 3.787 3.960 0.009 0.000 0.216 335 G C 1.722 176.797 174.900 0.290 0.000 1.140 335 G CA 0.962 46.215 45.100 0.254 0.000 0.801 335 G HN 0.394 nan 8.290 nan 0.000 0.536 336 S N 1.798 117.623 115.700 0.209 0.000 2.359 336 S HA -0.072 4.403 4.470 0.009 0.000 0.223 336 S C 2.654 177.275 174.600 0.036 0.000 1.039 336 S CA 1.805 60.099 58.200 0.158 0.000 1.042 336 S CB -0.813 62.436 63.200 0.081 0.000 0.915 336 S HN 0.624 nan 8.310 nan 0.000 0.439 337 A N 1.251 123.992 122.820 -0.132 0.000 1.927 337 A HA -0.021 4.304 4.320 0.009 0.000 0.220 337 A C 1.986 179.478 177.584 -0.153 0.000 1.185 337 A CA 1.806 53.641 52.037 -0.338 0.000 0.639 337 A CB -1.357 17.328 19.000 -0.525 0.000 0.820 337 A HN 0.601 nan 8.150 nan 0.000 0.451 338 F N 0.093 120.043 119.950 0.000 0.000 2.202 338 F HA -0.137 4.395 4.527 0.009 0.000 0.301 338 F C 2.015 177.872 175.800 0.096 0.000 1.082 338 F CA 1.199 59.218 58.000 0.032 0.000 1.313 338 F CB -0.429 38.532 39.000 -0.065 0.000 1.024 338 F HN 0.121 nan 8.300 nan 0.000 0.495 339 L N -0.088 121.227 121.223 0.154 0.000 2.201 339 L HA -0.135 4.211 4.340 0.009 0.000 0.212 339 L C 2.257 179.202 176.870 0.125 0.000 1.105 339 L CA 0.855 55.661 54.840 -0.057 0.000 0.775 339 L CB -0.880 40.873 42.059 -0.510 0.000 0.913 339 L HN 0.176 nan 8.230 nan 0.000 0.440 340 V N -4.995 115.057 119.914 0.230 0.000 3.461 340 V HA -0.120 4.006 4.120 0.009 0.000 0.267 340 V C 0.712 176.837 176.094 0.052 0.000 1.186 340 V CA 0.434 62.867 62.300 0.222 0.000 1.154 340 V CB -1.110 30.888 31.823 0.291 0.000 0.802 340 V HN 0.239 nan 8.190 nan 0.000 0.474 341 Y N 2.038 122.417 120.300 0.131 0.000 2.849 341 Y HA 0.723 5.278 4.550 0.009 0.000 0.356 341 Y C 1.336 177.311 175.900 0.124 0.000 1.236 341 Y CA 0.287 58.452 58.100 0.108 0.000 1.508 341 Y CB 0.623 39.140 38.460 0.095 0.000 1.619 341 Y HN 0.321 nan 8.280 nan 0.000 0.513 342 G N -1.020 107.909 108.800 0.216 0.000 3.180 342 G HA2 -0.212 3.753 3.960 0.009 0.000 0.197 342 G HA3 -0.212 3.753 3.960 0.009 0.000 0.197 342 G C -0.414 174.594 174.900 0.180 0.000 1.149 342 G CA -0.461 44.760 45.100 0.201 0.000 0.847 342 G HN 0.086 nan 8.290 nan 0.000 0.469 343 V N 4.187 124.211 119.914 0.182 0.000 2.450 343 V HA 0.377 4.503 4.120 0.009 0.000 0.281 343 V C -1.566 174.722 176.094 0.323 0.000 1.019 343 V CA -0.702 61.727 62.300 0.214 0.000 1.062 343 V CB 0.691 32.587 31.823 0.122 0.000 0.979 343 V HN 0.285 nan 8.190 nan 0.000 0.477 344 P HA 0.343 nan 4.420 nan 0.000 0.271 344 P C 1.045 178.456 177.300 0.186 0.000 1.218 344 P CA 0.998 64.211 63.100 0.188 0.000 0.780 344 P CB 0.885 32.655 31.700 0.118 0.000 0.901 345 G N 0.306 109.145 108.800 0.066 0.000 2.258 345 G HA2 -0.225 3.740 3.960 0.009 0.000 0.233 345 G HA3 -0.225 3.740 3.960 0.009 0.000 0.233 345 G C -0.126 174.617 174.900 -0.263 0.000 1.006 345 G CA -0.474 44.544 45.100 -0.137 0.000 0.620 345 G HN 0.410 nan 8.290 nan 0.000 0.511 346 F N 1.529 121.503 119.950 0.040 0.000 2.399 346 F HA 0.773 5.305 4.527 0.009 0.000 0.334 346 F C 0.682 176.586 175.800 0.173 0.000 1.097 346 F CA 0.103 58.147 58.000 0.073 0.000 1.076 346 F CB 2.188 41.276 39.000 0.146 0.000 1.162 346 F HN 0.252 nan 8.300 nan 0.000 0.495 347 S N 1.238 117.211 115.700 0.455 0.000 2.547 347 S HA 0.262 4.737 4.470 0.009 0.000 0.270 347 S C 0.178 175.110 174.600 0.553 0.000 1.150 347 S CA -0.830 57.630 58.200 0.433 0.000 0.850 347 S CB 1.417 64.767 63.200 0.251 0.000 1.118 347 S HN 0.760 nan 8.310 nan 0.000 0.461 348 K N 1.002 121.597 120.400 0.326 0.000 2.288 348 K HA 0.096 4.422 4.320 0.009 0.000 0.201 348 K C 0.104 176.715 176.600 0.019 0.000 1.048 348 K CA 1.271 57.616 56.287 0.096 0.000 0.956 348 K CB -0.164 32.083 32.500 -0.421 0.000 0.746 348 K HN 0.468 nan 8.250 nan 0.000 0.461 349 D N 1.010 121.415 120.400 0.008 0.000 2.339 349 D HA 0.016 4.661 4.640 0.009 0.000 0.217 349 D C -0.306 176.027 176.300 0.056 0.000 1.050 349 D CA 0.292 54.277 54.000 -0.025 0.000 0.856 349 D CB 0.056 40.824 40.800 -0.053 0.000 0.922 349 D HN 0.506 nan 8.370 nan 0.000 0.518 350 N N -1.293 117.492 118.700 0.141 0.000 3.039 350 N HA 0.051 4.796 4.740 0.009 0.000 0.257 350 N C 0.323 175.921 175.510 0.146 0.000 1.497 350 N CA -0.476 52.637 53.050 0.106 0.000 0.861 350 N CB 0.869 39.371 38.487 0.025 0.000 1.479 350 N HN -0.456 nan 8.380 nan 0.000 0.547 351 E N -0.263 119.935 120.200 -0.003 0.000 2.418 351 E HA 0.013 4.369 4.350 0.009 0.000 0.197 351 E C -0.355 175.885 176.600 -0.601 0.000 1.026 351 E CA 0.681 56.998 56.400 -0.138 0.000 0.862 351 E CB -0.697 28.947 29.700 -0.093 0.000 0.799 351 E HN 0.589 nan 8.360 nan 0.000 0.518 352 S N -0.077 115.309 115.700 -0.523 0.000 3.614 352 S HA -0.204 4.271 4.470 0.009 0.000 0.360 352 S C 0.212 174.397 174.600 -0.691 0.000 1.023 352 S CA 0.161 57.927 58.200 -0.723 0.000 1.114 352 S CB -1.881 60.651 63.200 -1.115 0.000 0.907 352 S HN 0.257 nan 8.310 nan 0.000 0.470 353 L N 1.713 122.673 121.223 -0.437 0.000 2.385 353 L HA 0.421 4.767 4.340 0.009 0.000 0.281 353 L C 0.723 177.400 176.870 -0.322 0.000 1.106 353 L CA -0.183 54.457 54.840 -0.333 0.000 0.856 353 L CB 0.006 41.932 42.059 -0.221 0.000 1.186 353 L HN 0.445 nan 8.230 nan 0.000 0.453 354 I N 0.243 120.613 120.570 -0.332 0.000 2.793 354 I HA 0.648 4.823 4.170 0.009 0.000 0.313 354 I C 0.614 176.655 176.117 -0.127 0.000 0.998 354 I CA -0.527 60.612 61.300 -0.267 0.000 1.140 354 I CB 1.784 39.585 38.000 -0.331 0.000 1.327 354 I HN 0.547 nan 8.210 nan 0.000 0.491 355 S N 2.938 118.596 115.700 -0.070 0.000 2.669 355 S HA 0.372 4.847 4.470 0.009 0.000 0.270 355 S C 0.984 175.609 174.600 0.042 0.000 1.225 355 S CA -0.494 57.693 58.200 -0.022 0.000 0.991 355 S CB 1.535 64.728 63.200 -0.011 0.000 0.987 355 S HN 0.897 nan 8.310 nan 0.000 0.552 356 R N 0.644 121.172 120.500 0.047 0.000 2.091 356 R HA -0.108 4.238 4.340 0.009 0.000 0.238 356 R C 2.320 178.717 176.300 0.162 0.000 1.136 356 R CA 1.683 57.850 56.100 0.112 0.000 0.959 356 R CB -1.173 29.167 30.300 0.066 0.000 0.856 356 R HN 0.838 nan 8.270 nan 0.000 0.437 357 A N 0.711 123.589 122.820 0.096 0.000 1.883 357 A HA -0.255 4.071 4.320 0.009 0.000 0.217 357 A C 2.090 179.728 177.584 0.091 0.000 1.186 357 A CA 1.768 53.853 52.037 0.081 0.000 0.624 357 A CB -0.635 18.395 19.000 0.051 0.000 0.822 357 A HN 0.556 nan 8.150 nan 0.000 0.444 358 Q N -1.945 117.910 119.800 0.092 0.000 2.170 358 Q HA -0.159 4.187 4.340 0.009 0.000 0.203 358 Q C 1.893 178.003 176.000 0.184 0.000 0.976 358 Q CA 1.599 57.465 55.803 0.105 0.000 0.858 358 Q CB -0.295 28.470 28.738 0.045 0.000 0.907 358 Q HN 0.806 nan 8.270 nan 0.000 0.433 359 F N 1.001 120.987 119.950 0.060 0.000 2.084 359 F HA -0.200 4.333 4.527 0.009 0.000 0.296 359 F C 1.789 177.632 175.800 0.072 0.000 1.111 359 F CA 1.119 59.170 58.000 0.084 0.000 1.224 359 F CB -0.021 39.010 39.000 0.052 0.000 0.991 359 F HN -0.053 nan 8.300 nan 0.000 0.471 360 L N 0.402 121.582 121.223 -0.071 0.000 2.012 360 L HA -0.261 4.085 4.340 0.009 0.000 0.210 360 L C 2.874 179.669 176.870 -0.125 0.000 1.073 360 L CA 1.258 56.002 54.840 -0.160 0.000 0.748 360 L CB -1.437 40.618 42.059 -0.005 0.000 0.891 360 L HN 0.297 nan 8.230 nan 0.000 0.431 361 A N 0.535 123.336 122.820 -0.032 0.000 1.908 361 A HA -0.165 4.161 4.320 0.009 0.000 0.218 361 A C 2.433 180.009 177.584 -0.013 0.000 1.181 361 A CA 1.925 53.960 52.037 -0.003 0.000 0.627 361 A CB -1.354 17.670 19.000 0.040 0.000 0.818 361 A HN 0.462 nan 8.150 nan 0.000 0.445 362 G N -0.772 108.025 108.800 -0.005 0.000 2.422 362 G HA2 -0.100 3.866 3.960 0.009 0.000 0.218 362 G HA3 -0.100 3.866 3.960 0.009 0.000 0.218 362 G C 1.472 176.313 174.900 -0.097 0.000 1.146 362 G CA 1.199 46.302 45.100 0.005 0.000 0.769 362 G HN 0.340 nan 8.290 nan 0.000 0.547 363 V N 0.662 120.434 119.914 -0.236 0.000 2.515 363 V HA -0.108 4.018 4.120 0.009 0.000 0.250 363 V C 2.983 179.010 176.094 -0.112 0.000 1.058 363 V CA 1.430 63.592 62.300 -0.231 0.000 1.064 363 V CB -0.378 31.221 31.823 -0.373 0.000 0.675 363 V HN 0.192 nan 8.190 nan 0.000 0.461 364 R N 0.154 120.601 120.500 -0.089 0.000 2.070 364 R HA -0.030 4.315 4.340 0.009 0.000 0.233 364 R C 2.163 178.443 176.300 -0.034 0.000 1.137 364 R CA 1.654 57.725 56.100 -0.048 0.000 0.945 364 R CB -0.909 29.371 30.300 -0.034 0.000 0.845 364 R HN 0.459 nan 8.270 nan 0.000 0.430 365 I N -0.221 120.335 120.570 -0.024 0.000 2.286 365 I HA -0.174 4.001 4.170 0.009 0.000 0.248 365 I C 2.273 178.377 176.117 -0.021 0.000 1.115 365 I CA 1.603 62.896 61.300 -0.013 0.000 1.392 365 I CB -0.565 37.445 38.000 0.016 0.000 1.065 365 I HN 0.250 nan 8.210 nan 0.000 0.418 366 G N 0.203 108.984 108.800 -0.031 0.000 2.494 366 G HA2 0.018 3.984 3.960 0.009 0.000 0.216 366 G HA3 0.018 3.984 3.960 0.009 0.000 0.216 366 G C 0.827 175.720 174.900 -0.011 0.000 1.140 366 G CA 0.282 45.364 45.100 -0.030 0.000 0.801 366 G HN 0.255 nan 8.290 nan 0.000 0.536 367 V N 1.878 121.776 119.914 -0.027 0.000 2.361 367 V HA 0.227 4.352 4.120 0.009 0.000 0.252 367 V C -1.555 174.530 176.094 -0.016 0.000 0.986 367 V CA -1.111 61.166 62.300 -0.038 0.000 1.033 367 V CB 1.477 33.262 31.823 -0.063 0.000 1.282 367 V HN 0.056 nan 8.190 nan 0.000 0.514 368 P HA -0.169 nan 4.420 nan 0.000 0.222 368 P C 1.361 178.646 177.300 -0.025 0.000 1.147 368 P CA 1.058 64.142 63.100 -0.027 0.000 0.790 368 P CB 0.378 32.051 31.700 -0.046 0.000 0.780 369 Q N -0.096 119.700 119.800 -0.008 0.000 2.444 369 Q HA 0.127 4.472 4.340 0.009 0.000 0.206 369 Q C 0.466 176.454 176.000 -0.019 0.000 0.948 369 Q CA 0.236 56.032 55.803 -0.013 0.000 0.946 369 Q CB -0.365 28.375 28.738 0.003 0.000 1.027 369 Q HN 0.048 nan 8.270 nan 0.000 0.513 370 A N 1.844 124.653 122.820 -0.019 0.000 2.290 370 A HA 0.509 4.834 4.320 0.009 0.000 0.310 370 A C 0.399 177.967 177.584 -0.025 0.000 1.202 370 A CA -0.161 51.860 52.037 -0.026 0.000 0.837 370 A CB 0.715 19.701 19.000 -0.023 0.000 1.139 370 A HN 0.467 nan 8.150 nan 0.000 0.509 371 S N 1.962 117.644 115.700 -0.030 0.000 2.611 371 S HA 0.012 4.487 4.470 0.009 0.000 0.252 371 S C 0.443 175.037 174.600 -0.011 0.000 1.369 371 S CA 0.809 58.995 58.200 -0.022 0.000 0.975 371 S CB 0.016 63.199 63.200 -0.027 0.000 0.937 371 S HN 0.641 nan 8.310 nan 0.000 0.584 372 D N 0.018 120.416 120.400 -0.004 0.000 2.117 372 D HA -0.056 4.589 4.640 0.009 0.000 0.197 372 D C 1.782 178.095 176.300 0.021 0.000 0.987 372 D CA 0.993 54.998 54.000 0.007 0.000 0.829 372 D CB -0.300 40.505 40.800 0.009 0.000 0.961 372 D HN 0.358 nan 8.370 nan 0.000 0.460 373 L N 0.719 121.954 121.223 0.020 0.000 2.017 373 L HA -0.072 4.273 4.340 0.009 0.000 0.208 373 L C 2.045 178.949 176.870 0.057 0.000 1.073 373 L CA 1.796 56.660 54.840 0.039 0.000 0.745 373 L CB -0.902 41.173 42.059 0.027 0.000 0.894 373 L HN 0.033 nan 8.230 nan 0.000 0.432 374 A N -0.703 122.131 122.820 0.024 0.000 1.902 374 A HA -0.071 4.254 4.320 0.009 0.000 0.217 374 A C 2.416 180.035 177.584 0.058 0.000 1.181 374 A CA 1.717 53.768 52.037 0.023 0.000 0.623 374 A CB -1.128 17.843 19.000 -0.048 0.000 0.818 374 A HN 0.562 nan 8.150 nan 0.000 0.443 375 A N -0.595 122.244 122.820 0.032 0.000 1.969 375 A HA -0.105 4.221 4.320 0.009 0.000 0.218 375 A C 1.952 179.564 177.584 0.048 0.000 1.169 375 A CA 2.033 54.083 52.037 0.023 0.000 0.635 375 A CB -0.358 18.639 19.000 -0.006 0.000 0.810 375 A HN 0.469 nan 8.150 nan 0.000 0.445 376 E N 0.168 120.411 120.200 0.072 0.000 2.208 376 E HA 0.065 4.420 4.350 0.009 0.000 0.193 376 E C 1.968 178.658 176.600 0.151 0.000 0.988 376 E CA 1.149 57.611 56.400 0.104 0.000 0.828 376 E CB -0.410 29.347 29.700 0.094 0.000 0.763 376 E HN 0.460 nan 8.360 nan 0.000 0.478 377 A N -0.082 122.845 122.820 0.180 0.000 1.898 377 A HA -0.112 4.213 4.320 0.009 0.000 0.216 377 A C 2.435 180.141 177.584 0.204 0.000 1.181 377 A CA 1.503 53.700 52.037 0.266 0.000 0.620 377 A CB -0.675 18.588 19.000 0.439 0.000 0.819 377 A HN 0.176 nan 8.150 nan 0.000 0.442 378 V N -0.467 119.568 119.914 0.201 0.000 2.295 378 V HA -0.222 3.904 4.120 0.009 0.000 0.246 378 V C 2.560 178.775 176.094 0.202 0.000 1.049 378 V CA 1.986 64.341 62.300 0.092 0.000 1.024 378 V CB -0.740 31.131 31.823 0.081 0.000 0.648 378 V HN 0.360 nan 8.190 nan 0.000 0.447 379 V N -0.177 119.842 119.914 0.175 0.000 2.407 379 V HA -0.230 3.896 4.120 0.009 0.000 0.248 379 V C 2.262 178.547 176.094 0.320 0.000 1.055 379 V CA 1.848 64.311 62.300 0.272 0.000 1.049 379 V CB -0.459 31.464 31.823 0.166 0.000 0.662 379 V HN 0.453 nan 8.190 nan 0.000 0.455 380 L N -0.733 120.667 121.223 0.296 0.000 2.141 380 L HA -0.181 4.165 4.340 0.009 0.000 0.209 380 L C 2.507 179.555 176.870 0.297 0.000 1.094 380 L CA 1.898 56.990 54.840 0.419 0.000 0.763 380 L CB -0.768 41.487 42.059 0.327 0.000 0.908 380 L HN 0.448 nan 8.230 nan 0.000 0.437 381 H N -0.852 118.204 119.070 -0.022 0.000 2.395 381 H HA -0.156 4.405 4.556 0.008 0.000 0.299 381 H C 1.675 176.857 175.328 -0.242 0.000 1.070 381 H CA 1.723 57.607 56.048 -0.274 0.000 1.356 381 H CB 0.137 29.395 29.762 -0.840 0.000 1.401 381 H HN 0.227 nan 8.280 nan 0.000 0.524 382 Y N -0.163 120.152 120.300 0.026 0.000 2.462 382 Y HA 0.157 4.713 4.550 0.011 0.000 0.261 382 Y C 0.708 176.515 175.900 -0.155 0.000 1.146 382 Y CA 0.188 58.309 58.100 0.035 0.000 1.283 382 Y CB 0.299 38.928 38.460 0.282 0.000 1.090 382 Y HN 0.023 nan 8.280 nan 0.000 0.526 383 T N 1.155 115.611 114.554 -0.164 0.000 2.916 383 T HA -0.019 4.337 4.350 0.009 0.000 0.303 383 T C -0.316 173.964 174.700 -0.700 0.000 1.025 383 T CA -0.214 61.511 62.100 -0.625 0.000 1.142 383 T CB 0.398 68.524 68.868 -1.236 0.000 0.947 383 T HN 0.084 nan 8.240 nan 0.000 0.544 384 D N 1.828 121.867 120.400 -0.602 0.000 2.411 384 D HA 0.150 4.795 4.640 0.009 0.000 0.225 384 D C 0.018 176.054 176.300 -0.440 0.000 1.156 384 D CA -0.745 52.986 54.000 -0.448 0.000 0.874 384 D CB 0.196 40.741 40.800 -0.426 0.000 1.034 384 D HN 0.595 nan 8.370 nan 0.000 0.502 385 W N 3.102 124.315 121.300 -0.146 0.000 2.848 385 W HA 0.010 4.675 4.660 0.007 0.000 0.241 385 W C 1.503 177.925 176.519 -0.162 0.000 1.289 385 W CA -0.421 56.851 57.345 -0.123 0.000 1.396 385 W CB 0.120 29.516 29.460 -0.107 0.000 1.138 385 W HN 0.418 nan 8.180 nan 0.000 0.677 386 L N -0.786 120.365 121.223 -0.120 0.000 2.298 386 L HA 0.076 4.421 4.340 0.009 0.000 0.209 386 L C 0.052 176.572 176.870 -0.583 0.000 1.084 386 L CA 1.566 56.193 54.840 -0.355 0.000 0.816 386 L CB -0.501 41.268 42.059 -0.483 0.000 0.967 386 L HN -0.036 nan 8.230 nan 0.000 0.460 387 H N -0.965 118.079 119.070 -0.043 0.000 2.429 387 H HA 0.296 4.857 4.556 0.008 0.000 0.231 387 H C -1.960 173.313 175.328 -0.092 0.000 1.416 387 H CA -1.354 54.682 56.048 -0.019 0.000 1.443 387 H CB 0.326 30.129 29.762 0.068 0.000 1.591 387 H HN -0.002 nan 8.280 nan 0.000 0.507 388 P HA -0.057 nan 4.420 nan 0.000 0.245 388 P C 0.494 177.712 177.300 -0.137 0.000 1.212 388 P CA 0.819 63.790 63.100 -0.215 0.000 0.774 388 P CB 0.743 32.319 31.700 -0.206 0.000 0.999 389 E N -0.335 119.840 120.200 -0.041 0.000 2.630 389 E HA 0.062 4.418 4.350 0.009 0.000 0.218 389 E C -0.304 176.279 176.600 -0.028 0.000 0.977 389 E CA -0.052 56.331 56.400 -0.029 0.000 1.038 389 E CB 0.300 30.001 29.700 0.001 0.000 1.051 389 E HN 0.261 nan 8.360 nan 0.000 0.487 390 D N 1.773 122.169 120.400 -0.007 0.000 2.339 390 D HA 0.057 4.703 4.640 0.009 0.000 0.256 390 D C -1.678 174.577 176.300 -0.075 0.000 1.214 390 D CA -1.831 52.156 54.000 -0.022 0.000 0.877 390 D CB 1.612 42.438 40.800 0.043 0.000 1.111 390 D HN -0.207 nan 8.370 nan 0.000 0.478 391 P HA -0.154 nan 4.420 nan 0.000 0.215 391 P C 1.213 178.422 177.300 -0.153 0.000 1.157 391 P CA 1.234 64.255 63.100 -0.131 0.000 0.868 391 P CB 0.141 31.760 31.700 -0.135 0.000 0.788 392 T N -1.385 113.063 114.554 -0.177 0.000 2.684 392 T HA -0.195 4.161 4.350 0.009 0.000 0.267 392 T C 1.645 176.260 174.700 -0.141 0.000 1.036 392 T CA 1.440 63.425 62.100 -0.190 0.000 1.148 392 T CB -1.022 67.697 68.868 -0.249 0.000 0.863 392 T HN 0.210 nan 8.240 nan 0.000 0.436 393 H N 0.855 119.871 119.070 -0.091 0.000 2.321 393 H HA 0.078 4.640 4.556 0.009 0.000 0.300 393 H C 2.409 177.649 175.328 -0.147 0.000 1.087 393 H CA 0.966 56.959 56.048 -0.092 0.000 1.319 393 H CB -0.686 29.016 29.762 -0.101 0.000 1.379 393 H HN 0.284 nan 8.280 nan 0.000 0.501 394 L N 0.307 121.471 121.223 -0.098 0.000 2.012 394 L HA -0.196 4.150 4.340 0.009 0.000 0.210 394 L C 2.942 179.780 176.870 -0.052 0.000 1.073 394 L CA 1.255 55.930 54.840 -0.276 0.000 0.748 394 L CB -0.381 41.528 42.059 -0.249 0.000 0.891 394 L HN 0.176 nan 8.230 nan 0.000 0.431 395 R N 0.583 121.079 120.500 -0.006 0.000 2.094 395 R HA -0.229 4.117 4.340 0.009 0.000 0.239 395 R C 1.725 178.163 176.300 0.230 0.000 1.137 395 R CA 2.483 58.646 56.100 0.105 0.000 0.943 395 R CB -0.569 29.658 30.300 -0.122 0.000 0.850 395 R HN 0.379 nan 8.270 nan 0.000 0.433 396 D N 0.060 120.558 120.400 0.163 0.000 2.219 396 D HA -0.074 4.572 4.640 0.009 0.000 0.205 396 D C 1.677 178.122 176.300 0.242 0.000 0.970 396 D CA 1.245 55.380 54.000 0.225 0.000 0.851 396 D CB -0.152 40.770 40.800 0.203 0.000 0.943 396 D HN 0.416 nan 8.370 nan 0.000 0.488 397 A N 0.582 123.519 122.820 0.195 0.000 1.929 397 A HA -0.118 4.208 4.320 0.009 0.000 0.216 397 A C 2.113 179.903 177.584 0.343 0.000 1.176 397 A CA 1.111 53.305 52.037 0.262 0.000 0.628 397 A CB -0.383 18.646 19.000 0.048 0.000 0.816 397 A HN 0.097 nan 8.150 nan 0.000 0.444 398 M N 0.120 119.970 119.600 0.417 0.000 2.080 398 M HA -0.119 4.366 4.480 0.009 0.000 0.260 398 M C 2.347 178.749 176.300 0.170 0.000 1.068 398 M CA 2.167 57.687 55.300 0.367 0.000 1.109 398 M CB -0.683 32.190 32.600 0.456 0.000 1.342 398 M HN 0.422 nan 8.290 nan 0.000 0.405 399 S N -0.420 115.405 115.700 0.208 0.000 2.370 399 S HA -0.114 4.361 4.470 0.009 0.000 0.226 399 S C 2.043 176.749 174.600 0.177 0.000 1.033 399 S CA 1.619 59.935 58.200 0.193 0.000 1.011 399 S CB -0.597 62.777 63.200 0.291 0.000 0.852 399 S HN 0.609 nan 8.310 nan 0.000 0.457 400 A N 0.640 123.595 122.820 0.224 0.000 1.972 400 A HA 0.026 4.352 4.320 0.009 0.000 0.219 400 A C 2.333 180.018 177.584 0.168 0.000 1.169 400 A CA 1.675 53.876 52.037 0.273 0.000 0.635 400 A CB -0.917 18.355 19.000 0.455 0.000 0.810 400 A HN 0.465 nan 8.150 nan 0.000 0.446 401 V N -0.461 119.417 119.914 -0.059 0.000 2.270 401 V HA -0.223 3.903 4.120 0.009 0.000 0.245 401 V C 2.593 178.606 176.094 -0.135 0.000 1.043 401 V CA 2.020 64.182 62.300 -0.231 0.000 1.014 401 V CB -0.794 30.867 31.823 -0.270 0.000 0.645 401 V HN 0.373 nan 8.190 nan 0.000 0.447 402 V N 0.931 120.793 119.914 -0.088 0.000 2.287 402 V HA -0.216 3.910 4.120 0.009 0.000 0.248 402 V C 2.637 178.608 176.094 -0.206 0.000 1.053 402 V CA 2.308 64.530 62.300 -0.131 0.000 1.027 402 V CB -1.546 30.251 31.823 -0.044 0.000 0.646 402 V HN 0.619 nan 8.190 nan 0.000 0.447 403 G N -0.290 108.470 108.800 -0.067 0.000 2.446 403 G HA2 -0.257 3.709 3.960 0.009 0.000 0.217 403 G HA3 -0.257 3.709 3.960 0.009 0.000 0.217 403 G C 1.261 176.089 174.900 -0.120 0.000 1.168 403 G CA 1.112 46.188 45.100 -0.040 0.000 0.771 403 G HN 0.509 nan 8.290 nan 0.000 0.551 404 D N -0.462 119.887 120.400 -0.085 0.000 2.117 404 D HA -0.063 4.583 4.640 0.009 0.000 0.198 404 D C 2.103 178.101 176.300 -0.503 0.000 0.982 404 D CA 1.162 55.088 54.000 -0.124 0.000 0.828 404 D CB -0.352 40.558 40.800 0.183 0.000 0.967 404 D HN 0.399 nan 8.370 nan 0.000 0.464 405 H N 1.080 119.580 119.070 -0.950 0.000 2.333 405 H HA 0.060 4.621 4.556 0.009 0.000 0.302 405 H C 1.493 176.397 175.328 -0.707 0.000 1.075 405 H CA 1.582 56.862 56.048 -1.280 0.000 1.348 405 H CB 0.033 28.954 29.762 -1.402 0.000 1.393 405 H HN 0.003 nan 8.280 nan 0.000 0.509 406 N N -0.623 117.588 118.700 -0.816 0.000 2.409 406 N HA -0.011 4.734 4.740 0.009 0.000 0.174 406 N C 1.322 176.550 175.510 -0.470 0.000 1.037 406 N CA 1.085 53.600 53.050 -0.891 0.000 0.898 406 N CB 1.036 38.406 38.487 -1.862 0.000 1.010 406 N HN 0.257 nan 8.380 nan 0.000 0.445 407 V N -0.155 119.548 119.914 -0.352 0.000 3.134 407 V HA 0.045 4.171 4.120 0.009 0.000 0.222 407 V C 2.227 178.276 176.094 -0.075 0.000 1.247 407 V CA 0.249 62.494 62.300 -0.092 0.000 1.281 407 V CB -0.191 31.656 31.823 0.041 0.000 1.169 407 V HN -0.156 nan 8.190 nan 0.000 0.512 408 V N -0.077 119.793 119.914 -0.073 0.000 2.343 408 V HA -0.264 3.862 4.120 0.009 0.000 0.247 408 V C 2.420 178.478 176.094 -0.060 0.000 1.051 408 V CA 2.408 64.683 62.300 -0.040 0.000 1.036 408 V CB -0.770 31.060 31.823 0.012 0.000 0.654 408 V HN 0.660 nan 8.190 nan 0.000 0.451 409 c N -0.765 117.787 118.600 -0.080 0.000 2.492 409 c HA 0.081 4.656 4.570 0.009 0.000 0.279 409 c C 0.485 174.537 174.090 -0.062 0.000 1.335 409 c CA 0.509 56.819 56.329 -0.032 0.000 1.734 409 c CB -1.498 41.029 42.510 0.028 0.000 2.027 409 c HN 0.449 nan 8.230 nan 0.000 0.496 410 P HA -0.089 nan 4.420 nan 0.000 0.215 410 P C 1.784 179.015 177.300 -0.115 0.000 1.157 410 P CA 1.481 64.501 63.100 -0.132 0.000 0.868 410 P CB -0.213 31.378 31.700 -0.180 0.000 0.788 411 V N 0.007 119.858 119.914 -0.106 0.000 2.392 411 V HA -0.284 3.841 4.120 0.009 0.000 0.249 411 V C 2.439 178.430 176.094 -0.172 0.000 1.059 411 V CA 2.308 64.531 62.300 -0.129 0.000 1.051 411 V CB -1.717 30.035 31.823 -0.119 0.000 0.658 411 V HN 0.117 nan 8.190 nan 0.000 0.455 412 A N -1.116 121.624 122.820 -0.133 0.000 1.897 412 A HA -0.250 4.076 4.320 0.009 0.000 0.215 412 A C 2.237 179.779 177.584 -0.070 0.000 1.181 412 A CA 1.777 53.743 52.037 -0.118 0.000 0.620 412 A CB -0.482 18.498 19.000 -0.033 0.000 0.821 412 A HN 0.559 nan 8.150 nan 0.000 0.443 413 Q N -0.941 118.832 119.800 -0.045 0.000 2.084 413 Q HA -0.179 4.167 4.340 0.009 0.000 0.202 413 Q C 1.997 177.965 176.000 -0.054 0.000 0.978 413 Q CA 1.616 57.404 55.803 -0.024 0.000 0.844 413 Q CB -0.235 28.490 28.738 -0.022 0.000 0.898 413 Q HN 0.537 nan 8.270 nan 0.000 0.426 414 L N 0.556 121.718 121.223 -0.102 0.000 1.970 414 L HA -0.179 4.167 4.340 0.009 0.000 0.212 414 L C 2.239 179.019 176.870 -0.150 0.000 1.071 414 L CA 2.396 57.157 54.840 -0.131 0.000 0.751 414 L CB -0.992 40.978 42.059 -0.148 0.000 0.889 414 L HN 0.252 nan 8.230 nan 0.000 0.432 415 A N -0.619 122.069 122.820 -0.221 0.000 1.892 415 A HA -0.166 4.160 4.320 0.009 0.000 0.218 415 A C 2.347 179.903 177.584 -0.047 0.000 1.188 415 A CA 1.937 53.789 52.037 -0.308 0.000 0.631 415 A CB -1.714 16.770 19.000 -0.860 0.000 0.822 415 A HN 0.573 nan 8.150 nan 0.000 0.447 416 G N -1.197 107.638 108.800 0.059 0.000 2.418 416 G HA2 -0.206 3.759 3.960 0.009 0.000 0.217 416 G HA3 -0.206 3.759 3.960 0.009 0.000 0.217 416 G C 1.780 176.750 174.900 0.117 0.000 1.158 416 G CA 0.815 46.041 45.100 0.210 0.000 0.771 416 G HN 0.389 nan 8.290 nan 0.000 0.545 417 R N -0.082 120.450 120.500 0.052 0.000 2.062 417 R HA 0.172 4.517 4.340 0.009 0.000 0.226 417 R C 2.745 179.086 176.300 0.068 0.000 1.125 417 R CA 0.431 56.568 56.100 0.060 0.000 0.966 417 R CB -0.983 29.341 30.300 0.041 0.000 0.861 417 R HN 0.375 nan 8.270 nan 0.000 0.433 418 L N 0.395 121.592 121.223 -0.044 0.000 1.978 418 L HA -0.240 4.106 4.340 0.009 0.000 0.218 418 L C 2.664 179.571 176.870 0.061 0.000 1.075 418 L CA 1.823 56.604 54.840 -0.099 0.000 0.767 418 L CB -0.817 41.097 42.059 -0.242 0.000 0.890 418 L HN 0.184 nan 8.230 nan 0.000 0.434 419 A N -0.194 122.674 122.820 0.080 0.000 1.940 419 A HA -0.179 4.147 4.320 0.009 0.000 0.219 419 A C 2.400 180.043 177.584 0.098 0.000 1.176 419 A CA 1.822 53.924 52.037 0.109 0.000 0.631 419 A CB -0.715 18.396 19.000 0.184 0.000 0.814 419 A HN 0.463 nan 8.150 nan 0.000 0.446 420 A N -1.725 121.158 122.820 0.105 0.000 2.168 420 A HA 0.047 4.373 4.320 0.009 0.000 0.215 420 A C 1.503 179.147 177.584 0.100 0.000 1.152 420 A CA 1.168 53.258 52.037 0.089 0.000 0.716 420 A CB -0.162 18.889 19.000 0.084 0.000 0.794 420 A HN 0.594 nan 8.150 nan 0.000 0.465 421 Q N -1.869 118.019 119.800 0.148 0.000 2.217 421 Q HA 0.398 4.743 4.340 0.009 0.000 0.340 421 Q C 0.730 176.848 176.000 0.196 0.000 0.893 421 Q CA 0.307 56.216 55.803 0.177 0.000 1.142 421 Q CB 0.745 29.643 28.738 0.266 0.000 1.288 421 Q HN 0.694 nan 8.270 nan 0.000 0.426 422 G N 0.055 108.935 108.800 0.134 0.000 2.258 422 G HA2 -0.303 3.663 3.960 0.009 0.000 0.233 422 G HA3 -0.303 3.663 3.960 0.009 0.000 0.233 422 G C 0.399 175.370 174.900 0.118 0.000 1.006 422 G CA -0.185 44.982 45.100 0.111 0.000 0.620 422 G HN 0.581 nan 8.290 nan 0.000 0.511 423 A N 0.498 123.406 122.820 0.147 0.000 2.407 423 A HA 0.651 4.976 4.320 0.009 0.000 0.248 423 A C 0.736 178.352 177.584 0.053 0.000 1.082 423 A CA 0.556 52.657 52.037 0.107 0.000 0.785 423 A CB 0.290 19.331 19.000 0.069 0.000 1.020 423 A HN 0.702 nan 8.150 nan 0.000 0.489 424 R N 2.163 122.691 120.500 0.047 0.000 2.196 424 R HA 0.463 4.808 4.340 0.009 0.000 0.340 424 R C -1.396 174.870 176.300 -0.057 0.000 1.043 424 R CA -0.153 55.933 56.100 -0.023 0.000 0.883 424 R CB 0.196 30.519 30.300 0.038 0.000 1.078 424 R HN 0.493 nan 8.270 nan 0.000 0.462 425 V N 5.681 125.502 119.914 -0.155 0.000 2.513 425 V HA 0.399 4.525 4.120 0.009 0.000 0.299 425 V C -0.955 174.958 176.094 -0.302 0.000 1.035 425 V CA -0.780 61.448 62.300 -0.120 0.000 0.889 425 V CB 1.513 33.324 31.823 -0.021 0.000 0.988 425 V HN 0.614 nan 8.190 nan 0.000 0.440 426 Y N 2.027 122.283 120.300 -0.073 0.000 2.376 426 Y HA 0.764 5.319 4.550 0.008 0.000 0.340 426 Y C 0.307 176.294 175.900 0.145 0.000 0.965 426 Y CA -0.519 57.546 58.100 -0.058 0.000 1.078 426 Y CB 2.142 40.220 38.460 -0.638 0.000 1.193 426 Y HN 0.770 nan 8.280 nan 0.000 0.452 427 A N 3.504 126.679 122.820 0.592 0.000 2.374 427 A HA 0.872 5.198 4.320 0.009 0.000 0.317 427 A C -1.779 176.163 177.584 0.597 0.000 1.094 427 A CA -0.674 51.585 52.037 0.370 0.000 0.765 427 A CB 0.954 20.035 19.000 0.134 0.000 1.268 427 A HN 0.748 nan 8.150 nan 0.000 0.438 428 Y N -0.389 120.143 120.300 0.387 0.000 2.597 428 Y HA 0.784 5.338 4.550 0.007 0.000 0.340 428 Y C -1.271 174.834 175.900 0.342 0.000 1.097 428 Y CA -1.640 56.664 58.100 0.340 0.000 1.037 428 Y CB 1.293 39.938 38.460 0.308 0.000 1.305 428 Y HN 0.706 nan 8.280 nan 0.000 0.463 429 I N 3.390 124.318 120.570 0.597 0.000 2.466 429 I HA 0.483 4.658 4.170 0.009 0.000 0.289 429 I C -1.939 174.524 176.117 0.578 0.000 1.026 429 I CA -1.034 60.578 61.300 0.521 0.000 1.078 429 I CB 1.294 39.546 38.000 0.419 0.000 1.249 429 I HN 0.750 nan 8.210 nan 0.000 0.429 430 F N 7.281 127.520 119.950 0.481 0.000 2.404 430 F HA 0.421 4.954 4.527 0.010 0.000 0.354 430 F C 0.395 176.356 175.800 0.269 0.000 1.122 430 F CA -0.036 58.187 58.000 0.371 0.000 1.080 430 F CB 1.051 40.290 39.000 0.398 0.000 1.131 430 F HN 0.532 nan 8.300 nan 0.000 0.471 431 E N 2.993 123.068 120.200 -0.210 0.000 2.630 431 E HA -0.013 4.343 4.350 0.009 0.000 0.218 431 E C -0.801 175.684 176.600 -0.191 0.000 0.977 431 E CA -0.145 56.208 56.400 -0.079 0.000 1.038 431 E CB 0.259 29.940 29.700 -0.032 0.000 1.051 431 E HN 0.514 nan 8.360 nan 0.000 0.487 432 H N 1.703 120.404 119.070 -0.614 0.000 2.705 432 H HA 0.207 4.768 4.556 0.008 0.000 0.291 432 H C -0.277 175.015 175.328 -0.059 0.000 1.085 432 H CA -0.474 55.307 56.048 -0.445 0.000 1.357 432 H CB 0.290 29.600 29.762 -0.754 0.000 1.419 432 H HN -0.138 nan 8.280 nan 0.000 0.462 433 R N 3.808 124.034 120.500 -0.457 0.000 2.449 433 R HA 0.326 4.672 4.340 0.009 0.000 0.296 433 R C -0.336 175.668 176.300 -0.494 0.000 1.047 433 R CA -0.099 55.835 56.100 -0.277 0.000 1.018 433 R CB 0.252 30.452 30.300 -0.167 0.000 0.962 433 R HN 0.798 nan 8.270 nan 0.000 0.428 434 A N 2.765 125.616 122.820 0.051 0.000 2.462 434 A HA 0.032 4.358 4.320 0.009 0.000 0.243 434 A C 1.312 178.997 177.584 0.167 0.000 1.076 434 A CA 0.358 52.623 52.037 0.380 0.000 0.773 434 A CB 0.482 19.854 19.000 0.621 0.000 1.010 434 A HN 0.992 nan 8.150 nan 0.000 0.493 435 S N 0.807 116.655 115.700 0.247 0.000 2.442 435 S HA -0.144 4.331 4.470 0.009 0.000 0.236 435 S C 1.258 175.854 174.600 -0.007 0.000 1.007 435 S CA 1.661 59.921 58.200 0.099 0.000 0.965 435 S CB -0.716 62.559 63.200 0.126 0.000 0.773 435 S HN 1.250 nan 8.310 nan 0.000 0.504 436 T N -1.184 113.339 114.554 -0.053 0.000 3.069 436 T HA 0.404 4.760 4.350 0.009 0.000 0.252 436 T C 0.292 174.922 174.700 -0.118 0.000 1.053 436 T CA -0.585 61.407 62.100 -0.179 0.000 0.964 436 T CB -0.397 68.207 68.868 -0.440 0.000 1.005 436 T HN 0.240 nan 8.240 nan 0.000 0.532 437 L N 3.492 124.690 121.223 -0.043 0.000 2.485 437 L HA 0.282 4.627 4.340 0.009 0.000 0.275 437 L C 1.511 178.324 176.870 -0.094 0.000 1.207 437 L CA 0.841 55.648 54.840 -0.054 0.000 0.855 437 L CB 0.960 42.998 42.059 -0.035 0.000 1.114 437 L HN 0.394 nan 8.230 nan 0.000 0.485 438 T N -1.277 113.176 114.554 -0.169 0.000 2.990 438 T HA 0.120 4.475 4.350 0.009 0.000 0.250 438 T C 0.315 174.965 174.700 -0.083 0.000 1.041 438 T CA -0.421 61.555 62.100 -0.208 0.000 1.010 438 T CB -0.309 68.272 68.868 -0.477 0.000 1.003 438 T HN 0.387 nan 8.240 nan 0.000 0.499 439 W N 3.599 124.909 121.300 0.015 0.000 2.123 439 W HA 0.366 5.032 4.660 0.010 0.000 0.351 439 W C -2.012 174.414 176.519 -0.154 0.000 1.292 439 W CA -1.802 55.527 57.345 -0.026 0.000 1.263 439 W CB 0.111 29.471 29.460 -0.168 0.000 1.165 439 W HN 0.007 nan 8.180 nan 0.000 0.590 440 P HA 0.084 nan 4.420 nan 0.000 0.276 440 P C 0.487 177.707 177.300 -0.133 0.000 1.261 440 P CA -0.224 62.830 63.100 -0.076 0.000 0.800 440 P CB 0.848 32.495 31.700 -0.088 0.000 1.066 441 L N -0.043 121.168 121.223 -0.021 0.000 2.081 441 L HA -0.153 4.193 4.340 0.009 0.000 0.212 441 L C 2.489 179.391 176.870 0.053 0.000 1.080 441 L CA 1.641 56.494 54.840 0.021 0.000 0.754 441 L CB -0.844 41.258 42.059 0.072 0.000 0.893 441 L HN 0.601 nan 8.230 nan 0.000 0.433 442 W N -1.393 119.954 121.300 0.078 0.000 2.421 442 W HA -0.160 4.504 4.660 0.008 0.000 0.270 442 W C 1.699 178.280 176.519 0.103 0.000 1.233 442 W CA 0.438 57.833 57.345 0.085 0.000 1.226 442 W CB -0.680 28.832 29.460 0.087 0.000 1.121 442 W HN 0.190 nan 8.180 nan 0.000 0.579 443 M N 1.244 120.597 119.600 -0.411 0.000 2.558 443 M HA 0.140 4.626 4.480 0.009 0.000 0.255 443 M C 1.767 178.001 176.300 -0.111 0.000 1.113 443 M CA 1.500 56.531 55.300 -0.448 0.000 1.097 443 M CB -0.330 31.816 32.600 -0.755 0.000 1.426 443 M HN 0.206 nan 8.290 nan 0.000 0.488 444 G N 0.317 109.099 108.800 -0.030 0.000 2.561 444 G HA2 -0.288 3.678 3.960 0.009 0.000 0.289 444 G HA3 -0.288 3.678 3.960 0.009 0.000 0.289 444 G C -0.185 174.728 174.900 0.022 0.000 1.169 444 G CA -0.152 44.969 45.100 0.034 0.000 0.980 444 G HN 0.199 nan 8.290 nan 0.000 0.550 445 V N 3.671 123.643 119.914 0.096 0.000 2.259 445 V HA 0.449 4.575 4.120 0.009 0.000 0.267 445 V C -1.757 174.463 176.094 0.210 0.000 1.051 445 V CA -0.789 61.616 62.300 0.175 0.000 0.830 445 V CB 1.085 33.078 31.823 0.283 0.000 1.080 445 V HN 0.502 nan 8.190 nan 0.000 0.467 446 P HA 0.114 nan 4.420 nan 0.000 0.273 446 P C -0.149 177.374 177.300 0.372 0.000 1.250 446 P CA -0.425 62.765 63.100 0.150 0.000 0.793 446 P CB 0.353 31.974 31.700 -0.132 0.000 1.011 447 H N 0.383 119.553 119.070 0.167 0.000 3.187 447 H HA 0.251 4.813 4.556 0.009 0.000 0.286 447 H C 1.483 176.833 175.328 0.036 0.000 0.944 447 H CA 2.237 58.364 56.048 0.132 0.000 1.429 447 H CB -0.967 28.847 29.762 0.087 0.000 1.483 447 H HN 0.695 nan 8.280 nan 0.000 0.555 448 G N 3.684 112.376 108.800 -0.179 0.000 2.195 448 G HA2 -0.279 3.687 3.960 0.009 0.000 0.224 448 G HA3 -0.279 3.687 3.960 0.009 0.000 0.224 448 G C 0.427 175.275 174.900 -0.087 0.000 0.990 448 G CA 0.219 45.178 45.100 -0.235 0.000 0.639 448 G HN 0.619 nan 8.290 nan 0.000 0.514 449 Y N 1.304 121.732 120.300 0.214 0.000 2.532 449 Y HA 0.281 4.836 4.550 0.008 0.000 0.283 449 Y C 2.148 178.182 175.900 0.223 0.000 1.181 449 Y CA 0.677 58.947 58.100 0.283 0.000 1.256 449 Y CB 0.544 39.201 38.460 0.327 0.000 1.112 449 Y HN 0.461 nan 8.280 nan 0.000 0.521 450 E N 0.079 120.263 120.200 -0.026 0.000 2.452 450 E HA -0.025 4.331 4.350 0.009 0.000 0.197 450 E C 1.451 177.935 176.600 -0.193 0.000 1.022 450 E CA 0.526 56.570 56.400 -0.594 0.000 0.890 450 E CB -0.194 28.727 29.700 -1.299 0.000 0.918 450 E HN 0.544 nan 8.360 nan 0.000 0.496 451 I N 2.702 123.269 120.570 -0.004 0.000 2.202 451 I HA -0.275 3.901 4.170 0.009 0.000 0.242 451 I C 2.745 178.862 176.117 -0.001 0.000 1.091 451 I CA 1.905 63.241 61.300 0.060 0.000 1.368 451 I CB -0.469 37.635 38.000 0.172 0.000 1.058 451 I HN 0.197 nan 8.210 nan 0.000 0.410 452 E N 1.391 121.540 120.200 -0.085 0.000 2.171 452 E HA -0.255 4.100 4.350 0.009 0.000 0.197 452 E C 2.046 178.387 176.600 -0.432 0.000 0.997 452 E CA 1.638 57.877 56.400 -0.269 0.000 0.810 452 E CB -0.550 28.979 29.700 -0.285 0.000 0.738 452 E HN 0.454 nan 8.360 nan 0.000 0.467 453 F N 1.214 121.042 119.950 -0.204 0.000 2.149 453 F HA -0.035 4.499 4.527 0.012 0.000 0.294 453 F C 2.404 177.952 175.800 -0.419 0.000 1.095 453 F CA 0.466 58.286 58.000 -0.300 0.000 1.276 453 F CB -0.179 38.724 39.000 -0.161 0.000 1.023 453 F HN -0.037 nan 8.300 nan 0.000 0.480 454 I N -0.613 119.768 120.570 -0.315 0.000 2.264 454 I HA -0.300 3.875 4.170 0.009 0.000 0.248 454 I C 2.112 177.939 176.117 -0.484 0.000 1.111 454 I CA 1.694 62.629 61.300 -0.609 0.000 1.382 454 I CB -1.503 36.010 38.000 -0.812 0.000 1.060 454 I HN 0.101 nan 8.210 nan 0.000 0.418 455 F N 0.669 120.404 119.950 -0.360 0.000 2.615 455 F HA 0.208 4.741 4.527 0.009 0.000 0.297 455 F C 1.962 177.571 175.800 -0.317 0.000 1.124 455 F CA 0.952 58.776 58.000 -0.292 0.000 1.451 455 F CB -0.087 38.726 39.000 -0.311 0.000 1.103 455 F HN 0.285 nan 8.300 nan 0.000 0.569 456 G N -0.321 108.274 108.800 -0.342 0.000 2.141 456 G HA2 -0.276 3.690 3.960 0.009 0.000 0.231 456 G HA3 -0.276 3.690 3.960 0.009 0.000 0.231 456 G C 0.966 175.243 174.900 -1.038 0.000 0.984 456 G CA 0.297 45.072 45.100 -0.542 0.000 0.660 456 G HN 0.254 nan 8.290 nan 0.000 0.525 457 L N 0.671 121.303 121.223 -0.985 0.000 2.081 457 L HA 0.015 4.361 4.340 0.009 0.000 0.212 457 L C 0.431 176.740 176.870 -0.935 0.000 1.080 457 L CA 2.764 56.967 54.840 -1.060 0.000 0.754 457 L CB -1.087 40.616 42.059 -0.593 0.000 0.893 457 L HN 0.209 nan 8.230 nan 0.000 0.433 458 P HA -0.165 nan 4.420 nan 0.000 0.220 458 P C 1.714 178.789 177.300 -0.376 0.000 1.144 458 P CA 0.974 63.501 63.100 -0.955 0.000 0.800 458 P CB 0.036 31.179 31.700 -0.928 0.000 0.772 459 L N -1.123 119.840 121.223 -0.432 0.000 2.275 459 L HA -0.067 4.279 4.340 0.009 0.000 0.215 459 L C 1.051 177.882 176.870 -0.065 0.000 1.119 459 L CA 1.188 55.904 54.840 -0.206 0.000 0.790 459 L CB -1.081 40.879 42.059 -0.166 0.000 0.919 459 L HN -0.044 nan 8.230 nan 0.000 0.443 460 D N 0.703 121.046 120.400 -0.096 0.000 2.342 460 D HA 0.011 4.657 4.640 0.009 0.000 0.260 460 D C -1.458 174.877 176.300 0.058 0.000 1.278 460 D CA -1.668 52.382 54.000 0.085 0.000 0.910 460 D CB 1.236 42.121 40.800 0.143 0.000 1.079 460 D HN 0.063 nan 8.370 nan 0.000 0.496 461 P HA -0.139 nan 4.420 nan 0.000 0.223 461 P C 1.218 178.539 177.300 0.035 0.000 1.151 461 P CA 0.667 63.794 63.100 0.045 0.000 0.787 461 P CB 0.073 31.793 31.700 0.034 0.000 0.788 462 S N -0.590 115.129 115.700 0.032 0.000 2.507 462 S HA -0.037 4.438 4.470 0.009 0.000 0.235 462 S C 1.747 176.344 174.600 -0.005 0.000 0.988 462 S CA 0.455 58.661 58.200 0.010 0.000 0.944 462 S CB -1.377 61.828 63.200 0.008 0.000 0.762 462 S HN 0.119 nan 8.310 nan 0.000 0.526 463 L N 0.527 121.764 121.223 0.024 0.000 2.591 463 L HA 0.241 4.587 4.340 0.009 0.000 0.228 463 L C 0.462 177.254 176.870 -0.131 0.000 1.133 463 L CA -0.032 54.801 54.840 -0.011 0.000 0.880 463 L CB -0.661 41.475 42.059 0.128 0.000 1.033 463 L HN 0.224 nan 8.230 nan 0.000 0.450 464 N N -2.090 116.576 118.700 -0.057 0.000 2.828 464 N HA -0.237 4.509 4.740 0.009 0.000 0.248 464 N C -0.297 175.141 175.510 -0.120 0.000 1.044 464 N CA 0.852 53.843 53.050 -0.098 0.000 0.851 464 N CB -1.738 36.662 38.487 -0.146 0.000 1.136 464 N HN 0.278 nan 8.380 nan 0.000 0.572 465 Y N 0.945 121.228 120.300 -0.027 0.000 2.426 465 Y HA 0.119 4.675 4.550 0.009 0.000 0.344 465 Y C 1.961 177.882 175.900 0.036 0.000 1.256 465 Y CA 0.459 58.567 58.100 0.014 0.000 1.451 465 Y CB 0.344 38.794 38.460 -0.017 0.000 1.342 465 Y HN 0.093 nan 8.280 nan 0.000 0.600 466 T N -2.569 112.131 114.554 0.242 0.000 2.828 466 T HA 0.057 4.412 4.350 0.009 0.000 0.290 466 T C 1.158 175.938 174.700 0.133 0.000 1.019 466 T CA -0.316 61.873 62.100 0.149 0.000 1.031 466 T CB 0.905 69.852 68.868 0.130 0.000 1.001 466 T HN 0.724 nan 8.240 nan 0.000 0.531 467 T N 1.359 115.962 114.554 0.082 0.000 2.737 467 T HA -0.117 4.239 4.350 0.009 0.000 0.269 467 T C 1.771 176.507 174.700 0.060 0.000 1.040 467 T CA 1.917 64.053 62.100 0.060 0.000 1.142 467 T CB -0.444 68.447 68.868 0.038 0.000 0.861 467 T HN 0.751 nan 8.240 nan 0.000 0.456 468 E N 1.127 121.361 120.200 0.056 0.000 2.085 468 E HA -0.105 4.251 4.350 0.009 0.000 0.194 468 E C 2.261 178.901 176.600 0.067 0.000 0.994 468 E CA 1.095 57.511 56.400 0.028 0.000 0.801 468 E CB -0.189 29.502 29.700 -0.015 0.000 0.743 468 E HN 0.581 nan 8.360 nan 0.000 0.453 469 E N 0.008 120.292 120.200 0.141 0.000 2.150 469 E HA -0.133 4.222 4.350 0.009 0.000 0.193 469 E C 2.112 178.852 176.600 0.233 0.000 0.985 469 E CA 0.486 57.064 56.400 0.297 0.000 0.814 469 E CB -0.004 29.995 29.700 0.498 0.000 0.752 469 E HN 0.076 nan 8.360 nan 0.000 0.466 470 R N 0.725 121.290 120.500 0.108 0.000 2.092 470 R HA -0.097 4.249 4.340 0.009 0.000 0.231 470 R C 2.174 178.484 176.300 0.018 0.000 1.119 470 R CA 0.973 57.081 56.100 0.013 0.000 0.970 470 R CB -0.094 30.212 30.300 0.009 0.000 0.864 470 R HN 0.169 nan 8.270 nan 0.000 0.440 471 I N 0.190 120.793 120.570 0.055 0.000 2.315 471 I HA -0.245 3.931 4.170 0.009 0.000 0.248 471 I C 2.085 178.252 176.117 0.085 0.000 1.117 471 I CA 0.744 62.072 61.300 0.046 0.000 1.404 471 I CB -0.254 37.771 38.000 0.042 0.000 1.071 471 I HN 0.153 nan 8.210 nan 0.000 0.419 472 F N 1.969 121.885 119.950 -0.057 0.000 2.084 472 F HA -0.129 4.403 4.527 0.008 0.000 0.296 472 F C 2.511 178.299 175.800 -0.021 0.000 1.111 472 F CA 1.178 59.136 58.000 -0.070 0.000 1.224 472 F CB -0.799 38.112 39.000 -0.149 0.000 0.991 472 F HN 0.004 nan 8.300 nan 0.000 0.471 473 A N 0.312 123.081 122.820 -0.085 0.000 1.903 473 A HA -0.318 4.007 4.320 0.009 0.000 0.219 473 A C 2.170 179.616 177.584 -0.230 0.000 1.191 473 A CA 2.295 54.212 52.037 -0.200 0.000 0.638 473 A CB -1.098 17.786 19.000 -0.193 0.000 0.823 473 A HN 0.653 nan 8.150 nan 0.000 0.451 474 Q N -1.252 118.457 119.800 -0.151 0.000 2.084 474 Q HA -0.172 4.174 4.340 0.009 0.000 0.202 474 Q C 2.443 178.334 176.000 -0.181 0.000 0.978 474 Q CA 1.489 57.211 55.803 -0.135 0.000 0.844 474 Q CB -0.185 28.505 28.738 -0.079 0.000 0.898 474 Q HN 0.642 nan 8.270 nan 0.000 0.426 475 R N 0.389 120.768 120.500 -0.201 0.000 2.083 475 R HA -0.142 4.204 4.340 0.009 0.000 0.237 475 R C 2.331 178.311 176.300 -0.533 0.000 1.137 475 R CA 1.266 57.159 56.100 -0.344 0.000 0.951 475 R CB -0.296 29.885 30.300 -0.198 0.000 0.851 475 R HN 0.250 nan 8.270 nan 0.000 0.434 476 L N -0.093 120.909 121.223 -0.369 0.000 2.017 476 L HA -0.225 4.121 4.340 0.009 0.000 0.208 476 L C 2.528 179.329 176.870 -0.115 0.000 1.073 476 L CA 1.460 56.171 54.840 -0.216 0.000 0.745 476 L CB -0.309 41.479 42.059 -0.451 0.000 0.894 476 L HN 0.290 nan 8.230 nan 0.000 0.432 477 M N -0.813 118.666 119.600 -0.200 0.000 2.213 477 M HA -0.195 4.291 4.480 0.009 0.000 0.263 477 M C 2.222 178.511 176.300 -0.019 0.000 1.062 477 M CA 1.594 56.819 55.300 -0.125 0.000 1.105 477 M CB -0.228 32.281 32.600 -0.152 0.000 1.385 477 M HN 0.086 nan 8.290 nan 0.000 0.417 478 K N -0.544 119.805 120.400 -0.086 0.000 2.097 478 K HA -0.139 4.186 4.320 0.009 0.000 0.205 478 K C 1.863 178.506 176.600 0.072 0.000 1.050 478 K CA 1.346 57.597 56.287 -0.059 0.000 0.938 478 K CB -0.131 32.281 32.500 -0.148 0.000 0.718 478 K HN 0.270 nan 8.250 nan 0.000 0.442 479 Y N 0.076 120.502 120.300 0.210 0.000 2.109 479 Y HA -0.218 4.339 4.550 0.012 0.000 0.285 479 Y C 2.315 178.344 175.900 0.214 0.000 1.131 479 Y CA 0.660 58.915 58.100 0.258 0.000 1.121 479 Y CB -0.943 37.823 38.460 0.511 0.000 0.987 479 Y HN 0.193 nan 8.280 nan 0.000 0.495 480 W N 0.748 122.123 121.300 0.124 0.000 2.317 480 W HA -0.290 4.375 4.660 0.008 0.000 0.318 480 W C 2.504 179.018 176.519 -0.009 0.000 1.227 480 W CA 2.506 59.853 57.345 0.004 0.000 1.269 480 W CB -0.797 28.584 29.460 -0.131 0.000 1.155 480 W HN 0.252 nan 8.180 nan 0.000 0.484 481 T N -2.636 112.013 114.554 0.159 0.000 3.023 481 T HA -0.088 4.268 4.350 0.009 0.000 0.266 481 T C 1.361 176.080 174.700 0.031 0.000 1.093 481 T CA 1.070 63.198 62.100 0.047 0.000 1.129 481 T CB -0.475 68.402 68.868 0.016 0.000 0.899 481 T HN -0.081 nan 8.240 nan 0.000 0.491 482 N N 0.877 119.616 118.700 0.064 0.000 2.142 482 N HA 0.040 4.785 4.740 0.009 0.000 0.186 482 N C 1.292 176.793 175.510 -0.014 0.000 1.023 482 N CA 0.833 53.900 53.050 0.029 0.000 0.852 482 N CB -0.649 37.876 38.487 0.064 0.000 0.998 482 N HN 0.455 nan 8.380 nan 0.000 0.424 483 F N 1.788 121.649 119.950 -0.150 0.000 2.075 483 F HA -0.087 4.446 4.527 0.010 0.000 0.297 483 F C 2.178 177.894 175.800 -0.141 0.000 1.113 483 F CA 1.402 59.265 58.000 -0.229 0.000 1.218 483 F CB -0.708 38.072 39.000 -0.368 0.000 0.984 483 F HN 0.038 nan 8.300 nan 0.000 0.472 484 A N 0.720 123.442 122.820 -0.163 0.000 1.903 484 A HA -0.282 4.044 4.320 0.009 0.000 0.219 484 A C 2.413 179.876 177.584 -0.201 0.000 1.191 484 A CA 2.247 54.171 52.037 -0.188 0.000 0.638 484 A CB -0.949 18.010 19.000 -0.068 0.000 0.823 484 A HN 0.490 nan 8.150 nan 0.000 0.451 485 R N -1.565 118.852 120.500 -0.138 0.000 2.075 485 R HA -0.094 4.251 4.340 0.009 0.000 0.232 485 R C 2.197 178.411 176.300 -0.144 0.000 1.126 485 R CA 1.964 57.998 56.100 -0.110 0.000 0.963 485 R CB -0.216 30.046 30.300 -0.063 0.000 0.858 485 R HN 0.779 nan 8.270 nan 0.000 0.435 486 T N -5.880 108.564 114.554 -0.182 0.000 2.969 486 T HA 0.240 4.595 4.350 0.009 0.000 0.258 486 T C 1.178 175.761 174.700 -0.195 0.000 0.962 486 T CA 0.505 62.517 62.100 -0.147 0.000 0.903 486 T CB 1.371 70.189 68.868 -0.083 0.000 1.177 486 T HN 0.339 nan 8.240 nan 0.000 0.511 487 G N 1.194 109.759 108.800 -0.392 0.000 2.176 487 G HA2 -0.162 3.803 3.960 0.009 0.000 0.253 487 G HA3 -0.162 3.803 3.960 0.009 0.000 0.253 487 G C -0.345 174.503 174.900 -0.087 0.000 0.979 487 G CA 0.197 45.024 45.100 -0.455 0.000 0.641 487 G HN 0.810 nan 8.290 nan 0.000 0.530 488 D N -0.407 119.930 120.400 -0.106 0.000 2.863 488 D HA 0.514 5.159 4.640 0.009 0.000 0.245 488 D C -1.746 174.410 176.300 -0.239 0.000 1.211 488 D CA -1.764 52.127 54.000 -0.183 0.000 0.888 488 D CB 2.336 43.114 40.800 -0.037 0.000 1.483 488 D HN 0.001 nan 8.370 nan 0.000 0.533 489 P HA 0.042 nan 4.420 nan 0.000 0.245 489 P C 0.053 177.381 177.300 0.047 0.000 1.206 489 P CA -0.037 62.901 63.100 -0.270 0.000 0.781 489 P CB 0.424 31.673 31.700 -0.752 0.000 0.994 490 N N 1.426 120.120 118.700 -0.011 0.000 2.482 490 N HA 0.033 4.778 4.740 0.009 0.000 0.260 490 N C -0.195 175.383 175.510 0.114 0.000 1.236 490 N CA 0.334 53.466 53.050 0.137 0.000 0.938 490 N CB 0.418 38.974 38.487 0.115 0.000 1.128 490 N HN 0.006 nan 8.380 nan 0.000 0.448 491 D N 0.613 121.092 120.400 0.132 0.000 2.277 491 D HA 0.221 4.867 4.640 0.009 0.000 0.249 491 D C -1.656 174.687 176.300 0.070 0.000 1.134 491 D CA -1.707 52.343 54.000 0.084 0.000 0.863 491 D CB 1.172 42.017 40.800 0.075 0.000 1.143 491 D HN 0.212 nan 8.370 nan 0.000 0.458 492 P HA -0.023 nan 4.420 nan 0.000 0.228 492 P C 0.609 177.934 177.300 0.042 0.000 1.151 492 P CA 0.876 64.002 63.100 0.044 0.000 0.770 492 P CB 0.329 32.047 31.700 0.030 0.000 0.786 493 R N -1.246 119.279 120.500 0.042 0.000 2.142 493 R HA 0.089 4.434 4.340 0.009 0.000 0.204 493 R C 0.571 176.897 176.300 0.043 0.000 1.059 493 R CA 0.139 56.261 56.100 0.037 0.000 1.055 493 R CB -0.509 29.809 30.300 0.030 0.000 0.976 493 R HN 0.009 nan 8.270 nan 0.000 0.483 494 D N 1.151 121.582 120.400 0.051 0.000 2.441 494 D HA 0.100 4.746 4.640 0.009 0.000 0.243 494 D C 0.811 177.151 176.300 0.067 0.000 1.257 494 D CA 0.144 54.178 54.000 0.057 0.000 1.027 494 D CB 0.755 41.592 40.800 0.062 0.000 1.084 494 D HN 0.318 nan 8.370 nan 0.000 0.514 495 S N 2.577 118.312 115.700 0.057 0.000 2.461 495 S HA -0.041 4.434 4.470 0.009 0.000 0.228 495 S C 2.026 176.662 174.600 0.059 0.000 1.005 495 S CA 1.193 59.428 58.200 0.059 0.000 0.942 495 S CB -0.230 62.999 63.200 0.048 0.000 0.776 495 S HN 0.421 nan 8.310 nan 0.000 0.514 496 K N 1.062 121.494 120.400 0.054 0.000 2.062 496 K HA 0.307 4.632 4.320 0.009 0.000 0.205 496 K C 1.340 177.975 176.600 0.059 0.000 1.051 496 K CA 0.905 57.222 56.287 0.049 0.000 0.941 496 K CB -1.140 31.384 32.500 0.040 0.000 0.719 496 K HN 0.396 nan 8.250 nan 0.000 0.440 497 S N 2.125 117.868 115.700 0.072 0.000 2.558 497 S HA 0.216 4.692 4.470 0.009 0.000 0.287 497 S C -2.333 172.328 174.600 0.102 0.000 1.321 497 S CA -0.756 57.500 58.200 0.092 0.000 1.048 497 S CB 0.807 64.080 63.200 0.121 0.000 0.844 497 S HN 0.409 nan 8.310 nan 0.000 0.512 498 P HA 0.228 nan 4.420 nan 0.000 0.275 498 P C -0.649 176.733 177.300 0.136 0.000 1.227 498 P CA -0.494 62.662 63.100 0.094 0.000 0.781 498 P CB 0.447 32.185 31.700 0.063 0.000 0.906 499 Q N 2.039 121.923 119.800 0.140 0.000 2.340 499 Q HA 0.207 4.552 4.340 0.009 0.000 0.249 499 Q C -1.246 174.908 176.000 0.256 0.000 0.957 499 Q CA -0.196 55.723 55.803 0.194 0.000 0.882 499 Q CB 0.430 29.267 28.738 0.164 0.000 1.235 499 Q HN 0.408 nan 8.270 nan 0.000 0.439 500 W N 8.135 129.486 121.300 0.085 0.000 2.311 500 W HA 0.418 5.082 4.660 0.008 0.000 0.317 500 W C -2.683 173.966 176.519 0.217 0.000 1.065 500 W CA -2.854 54.550 57.345 0.097 0.000 1.364 500 W CB 0.596 30.052 29.460 -0.007 0.000 1.233 500 W HN 0.586 nan 8.180 nan 0.000 0.409 501 P HA 0.338 nan 4.420 nan 0.000 0.279 501 P C -2.623 174.890 177.300 0.355 0.000 1.252 501 P CA -1.824 61.500 63.100 0.372 0.000 0.811 501 P CB 0.894 32.728 31.700 0.223 0.000 1.035 502 P HA 0.053 nan 4.420 nan 0.000 0.270 502 P C -0.686 176.628 177.300 0.024 0.000 1.223 502 P CA 0.175 63.116 63.100 -0.266 0.000 0.785 502 P CB 0.067 31.578 31.700 -0.314 0.000 0.923 503 Y N 2.036 122.289 120.300 -0.077 0.000 2.335 503 Y HA 0.413 4.973 4.550 0.016 0.000 0.331 503 Y C 0.207 176.099 175.900 -0.013 0.000 1.094 503 Y CA 0.510 58.626 58.100 0.025 0.000 1.253 503 Y CB 0.425 38.916 38.460 0.053 0.000 1.203 503 Y HN 0.407 nan 8.280 nan 0.000 0.508 504 T N 0.131 114.433 114.554 -0.421 0.000 2.896 504 T HA 0.228 4.584 4.350 0.009 0.000 0.297 504 T C 0.795 175.267 174.700 -0.380 0.000 1.108 504 T CA -0.238 61.713 62.100 -0.249 0.000 1.004 504 T CB 1.210 70.000 68.868 -0.131 0.000 1.159 504 T HN 0.659 nan 8.240 nan 0.000 0.499 505 T N -0.798 113.665 114.554 -0.151 0.000 2.821 505 T HA -0.009 4.347 4.350 0.009 0.000 0.267 505 T C 2.298 176.941 174.700 -0.094 0.000 1.046 505 T CA 1.036 63.079 62.100 -0.095 0.000 1.139 505 T CB -0.865 68.003 68.868 0.001 0.000 0.871 505 T HN 0.903 nan 8.240 nan 0.000 0.454 506 A N 1.146 123.918 122.820 -0.079 0.000 2.070 506 A HA 0.543 4.868 4.320 0.009 0.000 0.220 506 A C 2.361 179.907 177.584 -0.064 0.000 1.159 506 A CA 1.556 53.562 52.037 -0.053 0.000 0.656 506 A CB -0.684 18.296 19.000 -0.034 0.000 0.800 506 A HN 0.968 nan 8.150 nan 0.000 0.453 507 A N -2.742 120.009 122.820 -0.116 0.000 2.591 507 A HA 0.359 4.685 4.320 0.009 0.000 0.204 507 A C 0.633 178.137 177.584 -0.134 0.000 1.410 507 A CA 0.662 52.645 52.037 -0.090 0.000 1.065 507 A CB -0.023 18.942 19.000 -0.057 0.000 1.362 507 A HN 0.379 nan 8.150 nan 0.000 0.566 508 Q N 0.416 120.009 119.800 -0.346 0.000 2.408 508 Q HA -0.255 4.090 4.340 0.009 0.000 0.290 508 Q C -0.437 175.523 176.000 -0.067 0.000 1.221 508 Q CA 0.951 56.436 55.803 -0.531 0.000 0.895 508 Q CB -1.802 26.847 28.738 -0.147 0.000 1.241 508 Q HN 0.840 nan 8.270 nan 0.000 0.494 509 Q N 0.316 120.100 119.800 -0.026 0.000 2.352 509 Q HA 0.406 4.751 4.340 0.009 0.000 0.260 509 Q C -0.365 175.928 176.000 0.487 0.000 0.976 509 Q CA 0.220 56.146 55.803 0.204 0.000 0.881 509 Q CB 0.460 29.270 28.738 0.119 0.000 1.235 509 Q HN 0.356 nan 8.270 nan 0.000 0.419 510 Y N -1.659 118.775 120.300 0.223 0.000 2.670 510 Y HA 0.692 5.250 4.550 0.015 0.000 0.334 510 Y C -1.356 174.572 175.900 0.047 0.000 1.185 510 Y CA -1.525 56.712 58.100 0.229 0.000 1.053 510 Y CB 0.487 39.091 38.460 0.240 0.000 1.298 510 Y HN 0.339 nan 8.280 nan 0.000 0.459 511 V N -0.460 119.389 119.914 -0.109 0.000 2.864 511 V HA 0.853 4.978 4.120 0.009 0.000 0.314 511 V C -0.217 175.765 176.094 -0.187 0.000 1.073 511 V CA -0.648 61.428 62.300 -0.372 0.000 0.956 511 V CB 1.304 32.669 31.823 -0.763 0.000 1.023 511 V HN 1.187 nan 8.190 nan 0.000 0.435 512 S N 3.308 118.896 115.700 -0.187 0.000 2.537 512 S HA 0.696 5.172 4.470 0.009 0.000 0.275 512 S C -0.417 174.141 174.600 -0.071 0.000 1.272 512 S CA -0.659 57.505 58.200 -0.060 0.000 1.050 512 S CB 0.554 63.709 63.200 -0.075 0.000 0.961 512 S HN 0.737 nan 8.310 nan 0.000 0.496 513 L N 3.942 125.175 121.223 0.017 0.000 2.277 513 L HA 0.497 4.843 4.340 0.009 0.000 0.284 513 L C -0.276 176.494 176.870 -0.167 0.000 1.028 513 L CA -0.506 54.370 54.840 0.060 0.000 0.835 513 L CB -0.070 42.135 42.059 0.243 0.000 1.215 513 L HN 0.881 nan 8.230 nan 0.000 0.425 514 N N 2.183 120.712 118.700 -0.285 0.000 3.418 514 N HA 0.410 5.156 4.740 0.009 0.000 0.316 514 N C 0.241 175.196 175.510 -0.925 0.000 1.601 514 N CA -0.991 51.666 53.050 -0.655 0.000 0.805 514 N CB 0.772 39.047 38.487 -0.352 0.000 1.873 514 N HN 0.189 nan 8.380 nan 0.000 0.615 515 L N -0.895 119.844 121.223 -0.806 0.000 2.376 515 L HA 0.140 4.486 4.340 0.009 0.000 0.219 515 L C 0.459 177.142 176.870 -0.312 0.000 1.133 515 L CA 0.831 55.274 54.840 -0.661 0.000 0.816 515 L CB -0.420 41.346 42.059 -0.488 0.000 0.933 515 L HN 0.367 nan 8.230 nan 0.000 0.449 516 K N 0.255 120.515 120.400 -0.234 0.000 2.090 516 K HA 0.302 4.627 4.320 0.009 0.000 0.250 516 K C -2.156 174.399 176.600 -0.074 0.000 1.004 516 K CA -1.899 54.315 56.287 -0.122 0.000 0.919 516 K CB 0.243 32.684 32.500 -0.100 0.000 1.045 516 K HN -0.219 nan 8.250 nan 0.000 0.471 517 P HA -0.019 nan 4.420 nan 0.000 0.271 517 P C -0.396 176.906 177.300 0.002 0.000 1.233 517 P CA -0.184 62.926 63.100 0.018 0.000 0.789 517 P CB 0.372 32.086 31.700 0.022 0.000 0.951 518 L N 1.078 122.318 121.223 0.028 0.000 2.601 518 L HA -0.045 4.300 4.340 0.009 0.000 0.277 518 L C 1.094 177.925 176.870 -0.066 0.000 1.219 518 L CA 0.810 55.624 54.840 -0.043 0.000 0.915 518 L CB -0.361 41.668 42.059 -0.049 0.000 1.160 518 L HN 0.471 nan 8.230 nan 0.000 0.494 519 E N 3.353 123.487 120.200 -0.109 0.000 2.158 519 E HA 0.369 4.725 4.350 0.009 0.000 0.271 519 E C -1.209 175.291 176.600 -0.166 0.000 0.911 519 E CA -0.768 55.568 56.400 -0.108 0.000 0.767 519 E CB 1.874 31.517 29.700 -0.096 0.000 1.120 519 E HN 0.300 nan 8.360 nan 0.000 0.405 520 V N 5.049 124.883 119.914 -0.135 0.000 2.546 520 V HA 0.399 4.524 4.120 0.009 0.000 0.284 520 V C 0.343 176.310 176.094 -0.211 0.000 1.050 520 V CA -0.109 62.094 62.300 -0.161 0.000 0.981 520 V CB 1.133 32.919 31.823 -0.062 0.000 0.990 520 V HN 0.702 nan 8.190 nan 0.000 0.474 521 R N 3.638 123.916 120.500 -0.371 0.000 2.837 521 R HA 0.699 5.045 4.340 0.009 0.000 0.271 521 R C -1.025 175.136 176.300 -0.230 0.000 0.993 521 R CA -1.039 54.815 56.100 -0.411 0.000 0.931 521 R CB 2.694 32.526 30.300 -0.780 0.000 1.206 521 R HN 0.603 nan 8.270 nan 0.000 0.474 522 R N 0.114 120.628 120.500 0.023 0.000 2.534 522 R HA 0.495 4.840 4.340 0.009 0.000 0.301 522 R C -0.665 175.822 176.300 0.311 0.000 0.961 522 R CA -0.561 55.643 56.100 0.173 0.000 0.871 522 R CB 2.162 32.510 30.300 0.080 0.000 1.170 522 R HN 0.894 nan 8.270 nan 0.000 0.446 523 G N 2.461 111.470 108.800 0.348 0.000 3.429 523 G HA2 -0.206 3.760 3.960 0.009 0.000 0.605 523 G HA3 -0.206 3.760 3.960 0.009 0.000 0.605 523 G C -1.057 173.991 174.900 0.248 0.000 0.973 523 G CA -0.888 44.367 45.100 0.260 0.000 0.774 523 G HN 0.366 nan 8.290 nan 0.000 0.422 524 L N 4.386 125.646 121.223 0.062 0.000 2.312 524 L HA 0.526 4.871 4.340 0.009 0.000 0.287 524 L C 1.635 178.493 176.870 -0.021 0.000 1.091 524 L CA -0.513 54.192 54.840 -0.226 0.000 0.846 524 L CB -0.081 41.760 42.059 -0.363 0.000 1.219 524 L HN 0.690 nan 8.230 nan 0.000 0.439 525 R N 3.269 123.797 120.500 0.048 0.000 3.358 525 R HA -0.297 4.049 4.340 0.009 0.000 0.248 525 R C 1.399 177.781 176.300 0.136 0.000 0.981 525 R CA 0.721 56.892 56.100 0.117 0.000 0.662 525 R CB -2.233 28.148 30.300 0.136 0.000 1.037 525 R HN 0.803 nan 8.270 nan 0.000 0.460 526 A N 0.560 123.458 122.820 0.129 0.000 1.884 526 A HA -0.336 3.989 4.320 0.009 0.000 0.219 526 A C 2.128 179.795 177.584 0.138 0.000 1.197 526 A CA 2.020 54.134 52.037 0.130 0.000 0.637 526 A CB -0.253 18.819 19.000 0.119 0.000 0.827 526 A HN 0.453 nan 8.150 nan 0.000 0.450 527 Q N -1.111 118.770 119.800 0.135 0.000 1.990 527 Q HA -0.090 4.255 4.340 0.009 0.000 0.200 527 Q C 2.263 178.379 176.000 0.194 0.000 0.980 527 Q CA 2.439 58.326 55.803 0.141 0.000 0.832 527 Q CB -0.871 27.933 28.738 0.109 0.000 0.897 527 Q HN 0.610 nan 8.270 nan 0.000 0.427 528 T N -0.596 114.095 114.554 0.229 0.000 2.720 528 T HA -0.168 4.188 4.350 0.009 0.000 0.268 528 T C 1.825 176.732 174.700 0.344 0.000 1.037 528 T CA 1.402 63.661 62.100 0.265 0.000 1.144 528 T CB -0.491 68.570 68.868 0.322 0.000 0.864 528 T HN 0.384 nan 8.240 nan 0.000 0.444 529 c N 1.510 120.304 118.600 0.324 0.000 2.456 529 c HA 0.243 4.819 4.570 0.009 0.000 0.279 529 c C 3.071 177.315 174.090 0.257 0.000 1.427 529 c CA -0.105 56.426 56.329 0.336 0.000 1.778 529 c CB -1.503 41.137 42.510 0.217 0.000 1.842 529 c HN 0.636 nan 8.230 nan 0.000 0.531 530 A N 0.397 123.339 122.820 0.204 0.000 1.902 530 A HA -0.176 4.150 4.320 0.009 0.000 0.217 530 A C 1.846 179.529 177.584 0.165 0.000 1.181 530 A CA 1.526 53.659 52.037 0.161 0.000 0.623 530 A CB -0.779 18.302 19.000 0.135 0.000 0.818 530 A HN 0.522 nan 8.150 nan 0.000 0.443 531 F N -0.617 119.325 119.950 -0.014 0.000 2.043 531 F HA -0.229 4.303 4.527 0.008 0.000 0.297 531 F C 2.011 177.777 175.800 -0.057 0.000 1.121 531 F CA 2.068 59.980 58.000 -0.146 0.000 1.199 531 F CB -0.666 37.963 39.000 -0.619 0.000 0.968 531 F HN 0.387 nan 8.300 nan 0.000 0.478 532 W N 0.395 121.679 121.300 -0.026 0.000 2.388 532 W HA -0.128 4.536 4.660 0.007 0.000 0.294 532 W C 2.202 178.662 176.519 -0.099 0.000 1.212 532 W CA 0.980 58.258 57.345 -0.111 0.000 1.271 532 W CB -0.559 28.969 29.460 0.113 0.000 1.126 532 W HN 0.002 nan 8.180 nan 0.000 0.535 533 N N -0.553 118.266 118.700 0.199 0.000 2.368 533 N HA 0.033 4.778 4.740 0.009 0.000 0.176 533 N C 1.542 177.080 175.510 0.047 0.000 1.021 533 N CA 0.926 54.042 53.050 0.110 0.000 0.888 533 N CB -0.220 38.332 38.487 0.109 0.000 0.995 533 N HN 0.209 nan 8.380 nan 0.000 0.437 534 R N -1.463 119.066 120.500 0.048 0.000 2.194 534 R HA 0.225 4.570 4.340 0.009 0.000 0.194 534 R C 1.336 177.654 176.300 0.030 0.000 0.985 534 R CA 0.036 56.162 56.100 0.044 0.000 1.104 534 R CB -0.026 30.322 30.300 0.079 0.000 1.092 534 R HN 0.071 nan 8.270 nan 0.000 0.555 535 F N 1.306 121.160 119.950 -0.160 0.000 2.148 535 F HA 0.036 4.568 4.527 0.010 0.000 0.285 535 F C 1.912 177.540 175.800 -0.287 0.000 1.092 535 F CA 0.657 58.533 58.000 -0.207 0.000 1.218 535 F CB -0.509 38.364 39.000 -0.212 0.000 1.059 535 F HN -0.160 nan 8.300 nan 0.000 0.490 536 L N 1.402 122.251 121.223 -0.624 0.000 2.089 536 L HA -0.149 4.197 4.340 0.009 0.000 0.213 536 L C -0.943 175.662 176.870 -0.441 0.000 1.079 536 L CA 2.053 56.480 54.840 -0.689 0.000 0.758 536 L CB -1.705 39.958 42.059 -0.661 0.000 0.891 536 L HN 0.064 nan 8.230 nan 0.000 0.433 537 P HA -0.242 nan 4.420 nan 0.000 0.214 537 P C 1.291 178.439 177.300 -0.254 0.000 1.169 537 P CA 1.813 64.795 63.100 -0.196 0.000 0.908 537 P CB -0.140 31.486 31.700 -0.124 0.000 0.791 538 K N -1.124 119.088 120.400 -0.313 0.000 2.286 538 K HA -0.129 4.197 4.320 0.009 0.000 0.203 538 K C 0.621 177.017 176.600 -0.340 0.000 1.045 538 K CA 0.689 56.802 56.287 -0.290 0.000 0.935 538 K CB -0.727 31.628 32.500 -0.242 0.000 0.737 538 K HN 0.086 nan 8.250 nan 0.000 0.460 539 L N 2.466 123.396 121.223 -0.489 0.000 2.697 539 L HA -0.029 4.317 4.340 0.009 0.000 0.239 539 L C 0.955 177.700 176.870 -0.208 0.000 1.430 539 L CA 0.596 55.233 54.840 -0.338 0.000 1.193 539 L CB -0.702 41.130 42.059 -0.379 0.000 1.516 539 L HN 0.103 nan 8.230 nan 0.000 0.439 540 L N -3.346 117.779 121.223 -0.164 0.000 2.249 540 L HA 0.187 4.533 4.340 0.009 0.000 0.207 540 L C 1.905 178.726 176.870 -0.082 0.000 1.090 540 L CA 0.912 55.686 54.840 -0.110 0.000 0.802 540 L CB -1.152 40.850 42.059 -0.095 0.000 0.947 540 L HN 0.183 nan 8.230 nan 0.000 0.453 541 S N 0.272 115.925 115.700 -0.078 0.000 2.297 541 S HA 0.697 5.172 4.470 0.009 0.000 0.200 541 S C 0.941 175.509 174.600 -0.052 0.000 1.011 541 S CA 0.365 58.532 58.200 -0.056 0.000 0.938 541 S CB -0.406 62.767 63.200 -0.045 0.000 0.924 541 S HN 0.691 nan 8.310 nan 0.000 0.504 542 A N 0.000 122.788 122.820 -0.053 0.000 2.254 542 A HA 0.000 4.326 4.320 0.009 0.000 0.244 542 A CA 0.000 nan 52.037 nan 0.000 0.836 542 A CB 0.000 19.006 19.000 0.009 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486