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 3cho_1_A DATA FIRST_RESID 1 DATA SEQUENCE PEIVDTCSLA SPASVCRTKH LHLRCSVDFT RRTLTGTAAL TVQSQEDNLR DATA SEQUENCE SLVLDTKDLT IEKVVINGQE VKYALGERQS YKGSPMEISL PIALSKNQEI DATA SEQUENCE VIEISFETSP KSSALQWLTP EQTSGKEHPY LFSQCQAIHC RAILPCQDTP DATA SEQUENCE SVKLTYTAEV SVPKELVALM SAIRDGETPD PEDPSRKIYK FIQKVPIPCY DATA SEQUENCE LIALVVGALE SRQIGPRTLV WSEKEQVEKS AYEFSETESM LKIAEDLGGP DATA SEQUENCE YVWGQYDLLV LPPSFPYGGM ENPCLTFVTP TLLAGDKSLS NVIAHEISHS DATA SEQUENCE WTGNLVTNKT WDHFWLNEGH TVYLERHICG RLFGEKFRHF NALGGWGELQ DATA SEQUENCE NSVKTFGETH PFTKLVVDLT DIDPDVAYSS VPYEKGFALL FYLEQLLGGP DATA SEQUENCE EIFLGFLKAY VEKFSYKSIT TDDWKDFLYS YFKDKVDVLN QVDWNAWLYS DATA SEQUENCE PGLPPIKPNY DMTLTNACIA LSQRWITAKE DDLNSFNATD LKDLSSHQLN DATA SEQUENCE EFLAQTLQRA PLPLGHIKRM QEVYNFNAIN NSEIRFRWLR LCIQSKWEDA DATA SEQUENCE IPLALKMATE QGRMKFTRPL FKDLAAFDKS HDQAVRTYQE HKASMHPVTA DATA SEQUENCE MLVGKDLKVD 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.311 177.300 0.018 0.000 1.155 1 P CA 0.000 63.111 63.100 0.018 0.000 0.800 1 P CB 0.000 31.710 31.700 0.017 0.000 0.726 2 E N 1.386 121.596 120.200 0.017 0.000 2.313 2 E HA 0.506 4.851 4.350 -0.008 0.000 0.272 2 E C -0.513 176.099 176.600 0.021 0.000 1.038 2 E CA -0.530 55.879 56.400 0.016 0.000 0.863 2 E CB 0.877 30.585 29.700 0.013 0.000 1.060 2 E HN 0.429 nan 8.360 nan 0.000 0.402 3 I N 3.189 123.771 120.570 0.020 0.000 2.498 3 I HA 0.404 4.569 4.170 -0.008 0.000 0.301 3 I C -1.095 175.039 176.117 0.029 0.000 0.984 3 I CA -0.937 60.381 61.300 0.031 0.000 1.204 3 I CB 1.217 39.234 38.000 0.028 0.000 1.362 3 I HN 0.257 nan 8.210 nan 0.000 0.471 4 V N 5.541 125.480 119.914 0.041 0.000 2.555 4 V HA 0.298 4.414 4.120 -0.008 0.000 0.302 4 V C -0.601 175.521 176.094 0.046 0.000 1.038 4 V CA -0.671 61.651 62.300 0.037 0.000 0.887 4 V CB 1.680 33.524 31.823 0.036 0.000 0.991 4 V HN 0.626 nan 8.190 nan 0.000 0.434 5 D N 2.940 123.362 120.400 0.038 0.000 2.396 5 D HA 0.145 4.781 4.640 -0.008 0.000 0.225 5 D C 1.267 177.605 176.300 0.064 0.000 1.121 5 D CA -0.069 53.960 54.000 0.047 0.000 0.853 5 D CB 1.751 42.567 40.800 0.026 0.000 1.043 5 D HN 0.741 nan 8.370 nan 0.000 0.500 6 T N -0.139 114.463 114.554 0.080 0.000 3.160 6 T HA -0.046 4.299 4.350 -0.008 0.000 0.257 6 T C 1.639 176.398 174.700 0.098 0.000 1.147 6 T CA 0.141 62.288 62.100 0.079 0.000 1.064 6 T CB -0.392 68.525 68.868 0.082 0.000 0.949 6 T HN 0.406 nan 8.240 nan 0.000 0.526 7 C N 1.121 120.500 119.300 0.132 0.000 2.799 7 C HA 0.485 4.940 4.460 -0.008 0.000 0.267 7 C C 1.351 176.400 174.990 0.098 0.000 1.257 7 C CA -0.602 58.511 59.018 0.159 0.000 1.702 7 C CB -0.885 27.010 27.740 0.259 0.000 1.934 7 C HN 0.617 nan 8.230 nan 0.000 0.594 8 S N -0.093 115.650 115.700 0.073 0.000 2.501 8 S HA 0.632 5.097 4.470 -0.008 0.000 0.301 8 S C 0.242 174.849 174.600 0.011 0.000 1.096 8 S CA -0.531 57.693 58.200 0.041 0.000 1.063 8 S CB 0.678 63.908 63.200 0.049 0.000 1.042 8 S HN 0.411 nan 8.310 nan 0.000 0.494 9 L N 2.873 124.091 121.223 -0.007 0.000 2.640 9 L HA 0.399 4.734 4.340 -0.008 0.000 0.230 9 L C 1.198 178.064 176.870 -0.006 0.000 1.123 9 L CA -0.227 54.604 54.840 -0.014 0.000 0.900 9 L CB -0.431 41.609 42.059 -0.031 0.000 1.146 9 L HN 0.666 nan 8.230 nan 0.000 0.484 10 A N 0.019 122.838 122.820 -0.002 0.000 2.296 10 A HA 0.422 4.737 4.320 -0.008 0.000 0.264 10 A C 0.578 178.164 177.584 0.003 0.000 1.097 10 A CA -0.208 51.828 52.037 -0.001 0.000 0.811 10 A CB 0.311 19.309 19.000 -0.003 0.000 1.072 10 A HN 0.162 nan 8.150 nan 0.000 0.495 11 S N 2.426 118.128 115.700 0.003 0.000 2.552 11 S HA 0.272 4.737 4.470 -0.008 0.000 0.289 11 S C -1.984 172.620 174.600 0.006 0.000 1.304 11 S CA -0.435 57.768 58.200 0.005 0.000 1.063 11 S CB -0.108 63.095 63.200 0.006 0.000 0.848 11 S HN 0.635 nan 8.310 nan 0.000 0.499 12 P HA 0.189 nan 4.420 nan 0.000 0.274 12 P C 0.365 177.667 177.300 0.005 0.000 1.256 12 P CA -0.391 62.713 63.100 0.007 0.000 0.795 12 P CB 0.554 32.259 31.700 0.009 0.000 1.038 13 A N 1.277 124.098 122.820 0.003 0.000 2.070 13 A HA -0.158 4.157 4.320 -0.008 0.000 0.220 13 A C 2.125 179.711 177.584 0.003 0.000 1.159 13 A CA 2.065 54.103 52.037 0.002 0.000 0.656 13 A CB -1.683 17.316 19.000 -0.002 0.000 0.800 13 A HN 0.659 nan 8.150 nan 0.000 0.453 14 S N -1.025 114.677 115.700 0.004 0.000 2.481 14 S HA -0.009 4.457 4.470 -0.008 0.000 0.231 14 S C 1.493 176.096 174.600 0.006 0.000 0.996 14 S CA 1.189 59.392 58.200 0.005 0.000 0.942 14 S CB -0.242 62.963 63.200 0.007 0.000 0.768 14 S HN 0.237 nan 8.310 nan 0.000 0.520 15 V N 0.882 120.800 119.914 0.006 0.000 2.521 15 V HA 0.236 4.352 4.120 -0.008 0.000 0.239 15 V C 1.194 177.292 176.094 0.006 0.000 1.053 15 V CA 0.769 63.073 62.300 0.006 0.000 1.073 15 V CB 0.033 31.861 31.823 0.007 0.000 0.746 15 V HN 0.914 nan 8.190 nan 0.000 0.476 16 C N -0.579 118.724 119.300 0.006 0.000 3.311 16 C HA 0.811 5.267 4.460 -0.008 0.000 0.325 16 C C -0.926 174.068 174.990 0.006 0.000 1.352 16 C CA -1.289 57.733 59.018 0.007 0.000 1.308 16 C CB 1.684 29.428 27.740 0.008 0.000 1.619 16 C HN 0.418 nan 8.230 nan 0.000 0.469 17 R N 0.609 121.113 120.500 0.008 0.000 2.538 17 R HA 0.611 4.947 4.340 -0.008 0.000 0.292 17 R C -0.912 175.397 176.300 0.014 0.000 1.008 17 R CA -0.279 55.827 56.100 0.008 0.000 0.896 17 R CB 2.268 32.572 30.300 0.007 0.000 1.187 17 R HN 0.857 nan 8.270 nan 0.000 0.440 18 T N 3.519 118.080 114.554 0.013 0.000 2.834 18 T HA 0.085 4.430 4.350 -0.008 0.000 0.298 18 T C 1.006 175.727 174.700 0.034 0.000 0.966 18 T CA -0.179 61.933 62.100 0.021 0.000 1.141 18 T CB 0.755 69.627 68.868 0.007 0.000 0.905 18 T HN 0.269 nan 8.240 nan 0.000 0.535 19 K N 1.466 121.901 120.400 0.058 0.000 2.313 19 K HA 0.132 4.447 4.320 -0.008 0.000 0.197 19 K C 0.411 177.101 176.600 0.151 0.000 1.061 19 K CA 0.564 56.898 56.287 0.077 0.000 0.980 19 K CB 0.309 32.847 32.500 0.063 0.000 0.888 19 K HN 0.738 nan 8.250 nan 0.000 0.502 20 H N -0.994 118.098 119.070 0.038 0.000 3.079 20 H HA 0.427 4.979 4.556 -0.008 0.000 0.356 20 H C -2.001 173.378 175.328 0.084 0.000 1.221 20 H CA -0.952 55.137 56.048 0.067 0.000 1.185 20 H CB 1.331 31.127 29.762 0.057 0.000 1.882 20 H HN -0.098 nan 8.280 nan 0.000 0.543 21 L N 4.000 124.972 121.223 -0.418 0.000 2.333 21 L HA 0.432 4.767 4.340 -0.008 0.000 0.280 21 L C -1.494 175.265 176.870 -0.185 0.000 1.004 21 L CA -0.482 54.241 54.840 -0.195 0.000 0.820 21 L CB 1.078 43.044 42.059 -0.156 0.000 1.247 21 L HN 0.824 nan 8.230 nan 0.000 0.416 22 H N 4.706 123.784 119.070 0.013 0.000 2.595 22 H HA 0.561 5.112 4.556 -0.008 0.000 0.313 22 H C -1.486 173.903 175.328 0.101 0.000 1.023 22 H CA -0.485 55.636 56.048 0.121 0.000 1.218 22 H CB 1.184 31.072 29.762 0.210 0.000 1.403 22 H HN 0.705 nan 8.280 nan 0.000 0.477 23 L N 5.714 126.799 121.223 -0.230 0.000 2.282 23 L HA 0.510 4.845 4.340 -0.008 0.000 0.288 23 L C -0.801 175.907 176.870 -0.269 0.000 1.033 23 L CA -0.210 54.534 54.840 -0.161 0.000 0.807 23 L CB 0.684 42.709 42.059 -0.056 0.000 1.209 23 L HN 0.684 nan 8.230 nan 0.000 0.423 24 R N 5.198 125.594 120.500 -0.172 0.000 2.388 24 R HA 0.653 4.989 4.340 -0.008 0.000 0.314 24 R C -1.100 175.168 176.300 -0.054 0.000 0.959 24 R CA -0.559 55.476 56.100 -0.109 0.000 0.851 24 R CB 1.141 31.387 30.300 -0.089 0.000 1.168 24 R HN 0.891 nan 8.270 nan 0.000 0.472 25 C N -0.864 118.419 119.300 -0.027 0.000 3.171 25 C HA 0.814 5.269 4.460 -0.008 0.000 0.308 25 C C -0.352 174.624 174.990 -0.024 0.000 1.334 25 C CA -0.997 57.986 59.018 -0.057 0.000 1.473 25 C CB 1.985 29.707 27.740 -0.030 0.000 1.866 25 C HN 0.662 nan 8.230 nan 0.000 0.465 26 S N 0.162 115.834 115.700 -0.046 0.000 2.521 26 S HA 0.720 5.185 4.470 -0.008 0.000 0.295 26 S C -1.036 173.560 174.600 -0.007 0.000 1.098 26 S CA -0.330 57.865 58.200 -0.009 0.000 0.999 26 S CB 1.303 64.494 63.200 -0.015 0.000 1.034 26 S HN 0.964 nan 8.310 nan 0.000 0.483 27 V N 4.696 124.619 119.914 0.014 0.000 2.348 27 V HA 0.338 4.454 4.120 -0.008 0.000 0.270 27 V C -0.217 175.869 176.094 -0.013 0.000 1.037 27 V CA -0.616 61.673 62.300 -0.018 0.000 0.872 27 V CB 1.117 32.867 31.823 -0.121 0.000 1.002 27 V HN 0.836 nan 8.190 nan 0.000 0.464 28 D N 3.911 124.301 120.400 -0.017 0.000 2.443 28 D HA 0.306 4.941 4.640 -0.008 0.000 0.221 28 D C 0.505 176.722 176.300 -0.139 0.000 1.097 28 D CA -0.420 53.559 54.000 -0.035 0.000 0.865 28 D CB 0.868 41.629 40.800 -0.066 0.000 1.034 28 D HN 0.340 nan 8.370 nan 0.000 0.511 29 F N 1.237 121.230 119.950 0.071 0.000 2.407 29 F HA -0.065 4.458 4.527 -0.008 0.000 0.299 29 F C 2.427 178.163 175.800 -0.108 0.000 1.097 29 F CA 0.724 58.751 58.000 0.044 0.000 1.422 29 F CB 0.006 39.112 39.000 0.175 0.000 1.067 29 F HN 0.315 nan 8.300 nan 0.000 0.539 30 T N -0.599 114.000 114.554 0.076 0.000 2.821 30 T HA -0.102 4.243 4.350 -0.008 0.000 0.267 30 T C 1.944 176.579 174.700 -0.108 0.000 1.046 30 T CA 1.138 63.238 62.100 -0.000 0.000 1.139 30 T CB -0.101 68.773 68.868 0.011 0.000 0.871 30 T HN 0.211 nan 8.240 nan 0.000 0.454 31 R N 0.058 120.448 120.500 -0.183 0.000 2.334 31 R HA 0.294 4.630 4.340 -0.008 0.000 0.212 31 R C 0.133 176.160 176.300 -0.454 0.000 0.897 31 R CA -0.163 55.791 56.100 -0.242 0.000 1.056 31 R CB 0.354 30.549 30.300 -0.175 0.000 1.046 31 R HN 0.201 nan 8.270 nan 0.000 0.513 32 R N 1.382 121.414 120.500 -0.780 0.000 3.333 32 R HA -0.135 4.201 4.340 -0.008 0.000 0.256 32 R C -0.675 174.919 176.300 -1.177 0.000 1.010 32 R CA 1.176 56.226 56.100 -1.750 0.000 0.680 32 R CB -2.087 27.348 30.300 -1.441 0.000 1.102 32 R HN 0.358 nan 8.270 nan 0.000 0.440 33 T N -2.598 111.595 114.554 -0.600 0.000 2.900 33 T HA 0.644 4.989 4.350 -0.008 0.000 0.295 33 T C -0.177 174.589 174.700 0.111 0.000 1.044 33 T CA -1.100 60.938 62.100 -0.104 0.000 0.995 33 T CB 2.505 71.305 68.868 -0.113 0.000 1.072 33 T HN 0.221 nan 8.240 nan 0.000 0.473 34 L N 2.060 123.387 121.223 0.173 0.000 2.282 34 L HA 0.688 5.023 4.340 -0.008 0.000 0.288 34 L C -0.731 176.090 176.870 -0.083 0.000 1.033 34 L CA -0.145 54.742 54.840 0.079 0.000 0.807 34 L CB 1.334 43.466 42.059 0.122 0.000 1.209 34 L HN 0.926 nan 8.230 nan 0.000 0.423 35 T N 3.855 118.300 114.554 -0.182 0.000 2.841 35 T HA 0.874 5.219 4.350 -0.008 0.000 0.283 35 T C -0.009 174.432 174.700 -0.433 0.000 1.000 35 T CA -0.122 61.774 62.100 -0.340 0.000 0.977 35 T CB 1.768 70.517 68.868 -0.198 0.000 0.979 35 T HN 0.966 nan 8.240 nan 0.000 0.446 36 G N 1.541 109.914 108.800 -0.712 0.000 2.399 36 G HA2 0.508 4.464 3.960 -0.008 0.000 0.256 36 G HA3 0.508 4.464 3.960 -0.008 0.000 0.256 36 G C -1.118 173.505 174.900 -0.462 0.000 1.236 36 G CA -0.189 44.627 45.100 -0.474 0.000 0.914 36 G HN 0.956 nan 8.290 nan 0.000 0.482 37 T N -2.033 112.451 114.554 -0.117 0.000 2.861 37 T HA 0.798 5.143 4.350 -0.008 0.000 0.287 37 T C -0.361 174.500 174.700 0.268 0.000 1.003 37 T CA 0.258 62.425 62.100 0.112 0.000 0.977 37 T CB 1.840 70.741 68.868 0.055 0.000 0.996 37 T HN 1.971 nan 8.240 nan 0.000 0.448 38 A N 2.237 125.256 122.820 0.331 0.000 2.267 38 A HA 0.807 5.122 4.320 -0.008 0.000 0.315 38 A C 0.315 177.946 177.584 0.079 0.000 1.297 38 A CA -0.887 51.229 52.037 0.132 0.000 0.865 38 A CB 0.122 19.090 19.000 -0.054 0.000 1.165 38 A HN 1.410 nan 8.150 nan 0.000 0.513 39 A N 3.725 126.603 122.820 0.096 0.000 2.260 39 A HA 0.627 4.942 4.320 -0.008 0.000 0.312 39 A C -0.390 177.258 177.584 0.107 0.000 1.321 39 A CA -0.292 51.815 52.037 0.117 0.000 0.928 39 A CB -0.134 18.978 19.000 0.186 0.000 1.158 39 A HN 0.803 nan 8.150 nan 0.000 0.542 40 L N 2.705 123.966 121.223 0.064 0.000 2.272 40 L HA 0.343 4.678 4.340 -0.008 0.000 0.289 40 L C 0.151 177.065 176.870 0.073 0.000 1.032 40 L CA -0.348 54.524 54.840 0.053 0.000 0.810 40 L CB 1.633 43.697 42.059 0.009 0.000 1.205 40 L HN 0.583 nan 8.230 nan 0.000 0.422 41 T N 3.267 117.885 114.554 0.107 0.000 2.723 41 T HA 0.366 4.711 4.350 -0.008 0.000 0.297 41 T C 0.051 174.788 174.700 0.062 0.000 0.925 41 T CA -0.249 61.905 62.100 0.090 0.000 1.030 41 T CB 0.796 69.735 68.868 0.119 0.000 0.905 41 T HN 0.191 nan 8.240 nan 0.000 0.502 42 V N 4.296 124.234 119.914 0.040 0.000 2.555 42 V HA 0.460 4.575 4.120 -0.008 0.000 0.302 42 V C -0.050 176.057 176.094 0.020 0.000 1.038 42 V CA -0.949 61.368 62.300 0.027 0.000 0.887 42 V CB 1.932 33.767 31.823 0.019 0.000 0.991 42 V HN 0.777 nan 8.190 nan 0.000 0.434 43 Q N 2.522 122.331 119.800 0.016 0.000 2.333 43 Q HA 0.455 4.790 4.340 -0.008 0.000 0.265 43 Q C -0.247 175.758 176.000 0.008 0.000 0.989 43 Q CA -0.251 55.559 55.803 0.011 0.000 0.842 43 Q CB 1.707 30.450 28.738 0.008 0.000 1.262 43 Q HN 0.799 nan 8.270 nan 0.000 0.451 44 S N 2.728 118.433 115.700 0.007 0.000 2.562 44 S HA 0.044 4.509 4.470 -0.008 0.000 0.281 44 S C 0.403 175.006 174.600 0.005 0.000 1.333 44 S CA 0.006 58.210 58.200 0.007 0.000 1.052 44 S CB 0.660 63.864 63.200 0.006 0.000 0.884 44 S HN 0.736 nan 8.310 nan 0.000 0.506 45 Q N 2.276 122.078 119.800 0.005 0.000 2.219 45 Q HA 0.342 4.677 4.340 -0.008 0.000 0.209 45 Q C -0.364 175.639 176.000 0.004 0.000 0.854 45 Q CA 0.325 56.131 55.803 0.004 0.000 0.960 45 Q CB 0.563 29.304 28.738 0.004 0.000 1.116 45 Q HN 0.726 nan 8.270 nan 0.000 0.500 46 E N 0.351 120.554 120.200 0.005 0.000 2.343 46 E HA 0.262 4.608 4.350 -0.008 0.000 0.270 46 E C -1.362 175.240 176.600 0.004 0.000 0.895 46 E CA -0.698 55.705 56.400 0.005 0.000 0.767 46 E CB 1.695 31.398 29.700 0.006 0.000 1.248 46 E HN -0.087 nan 8.360 nan 0.000 0.440 47 D N 0.627 121.030 120.400 0.004 0.000 2.341 47 D HA 0.043 4.678 4.640 -0.008 0.000 0.245 47 D C 0.030 176.333 176.300 0.005 0.000 1.106 47 D CA 0.325 54.327 54.000 0.004 0.000 0.905 47 D CB 0.417 41.219 40.800 0.003 0.000 1.202 47 D HN 0.462 nan 8.370 nan 0.000 0.426 48 N N 1.557 120.260 118.700 0.005 0.000 2.740 48 N HA -0.210 4.525 4.740 -0.008 0.000 0.248 48 N C -1.342 174.172 175.510 0.007 0.000 1.062 48 N CA 0.150 53.203 53.050 0.006 0.000 0.704 48 N CB -1.169 37.321 38.487 0.005 0.000 0.968 48 N HN 0.390 nan 8.380 nan 0.000 0.547 49 L N 0.618 121.845 121.223 0.007 0.000 2.361 49 L HA 0.313 4.648 4.340 -0.008 0.000 0.278 49 L C 1.277 178.153 176.870 0.011 0.000 1.113 49 L CA 0.541 55.386 54.840 0.009 0.000 0.849 49 L CB 0.591 42.655 42.059 0.009 0.000 1.155 49 L HN 0.260 nan 8.230 nan 0.000 0.452 50 R N 1.956 122.463 120.500 0.012 0.000 2.419 50 R HA 0.277 4.612 4.340 -0.008 0.000 0.235 50 R C -0.306 176.005 176.300 0.017 0.000 0.899 50 R CA 0.480 56.588 56.100 0.013 0.000 1.048 50 R CB 0.468 30.775 30.300 0.012 0.000 1.182 50 R HN 0.788 nan 8.270 nan 0.000 0.544 51 S N 0.195 115.905 115.700 0.017 0.000 2.596 51 S HA 0.703 5.168 4.470 -0.008 0.000 0.270 51 S C -1.259 173.352 174.600 0.018 0.000 1.155 51 S CA -1.055 57.158 58.200 0.021 0.000 0.827 51 S CB 1.870 65.082 63.200 0.021 0.000 1.130 51 S HN 0.085 nan 8.310 nan 0.000 0.467 52 L N -1.703 119.532 121.223 0.020 0.000 2.540 52 L HA 0.967 5.303 4.340 -0.008 0.000 0.256 52 L C -1.531 175.349 176.870 0.016 0.000 1.001 52 L CA -0.981 53.869 54.840 0.015 0.000 0.843 52 L CB 1.193 43.260 42.059 0.012 0.000 1.436 52 L HN 0.560 nan 8.230 nan 0.000 0.410 53 V N 1.693 121.613 119.914 0.010 0.000 2.628 53 V HA 0.663 4.778 4.120 -0.008 0.000 0.306 53 V C -0.186 175.906 176.094 -0.003 0.000 1.045 53 V CA -0.456 61.849 62.300 0.008 0.000 0.905 53 V CB 1.706 33.533 31.823 0.007 0.000 0.997 53 V HN 0.704 nan 8.190 nan 0.000 0.436 54 L N 2.184 123.401 121.223 -0.011 0.000 2.319 54 L HA 0.613 4.949 4.340 -0.008 0.000 0.267 54 L C -0.462 176.390 176.870 -0.030 0.000 1.011 54 L CA -0.852 53.972 54.840 -0.027 0.000 0.818 54 L CB 2.074 44.105 42.059 -0.047 0.000 1.316 54 L HN 0.544 nan 8.230 nan 0.000 0.432 55 D N 1.235 121.614 120.400 -0.035 0.000 2.350 55 D HA 0.357 4.992 4.640 -0.008 0.000 0.249 55 D C -0.147 176.120 176.300 -0.055 0.000 1.119 55 D CA 0.331 54.309 54.000 -0.037 0.000 0.886 55 D CB 1.825 42.608 40.800 -0.028 0.000 1.195 55 D HN 0.614 nan 8.370 nan 0.000 0.437 56 T N -1.188 113.338 114.554 -0.046 0.000 2.883 56 T HA 0.578 4.923 4.350 -0.008 0.000 0.301 56 T C -0.736 173.947 174.700 -0.029 0.000 1.158 56 T CA -1.067 61.003 62.100 -0.049 0.000 1.007 56 T CB 2.656 71.498 68.868 -0.043 0.000 1.186 56 T HN 0.286 nan 8.240 nan 0.000 0.499 57 K N 1.075 121.465 120.400 -0.016 0.000 2.652 57 K HA 0.330 4.646 4.320 -0.008 0.000 0.249 57 K C -0.967 175.646 176.600 0.022 0.000 0.986 57 K CA -0.475 55.815 56.287 0.005 0.000 0.867 57 K CB 0.753 33.264 32.500 0.018 0.000 1.201 57 K HN 0.793 nan 8.250 nan 0.000 0.450 58 D N 2.513 122.926 120.400 0.023 0.000 2.751 58 D HA -0.215 4.420 4.640 -0.008 0.000 0.233 58 D C -0.412 175.913 176.300 0.042 0.000 1.149 58 D CA 1.051 55.070 54.000 0.031 0.000 0.682 58 D CB -0.696 40.125 40.800 0.034 0.000 1.068 58 D HN 0.456 nan 8.370 nan 0.000 0.429 59 L N 0.205 121.452 121.223 0.041 0.000 2.325 59 L HA 0.314 4.650 4.340 -0.008 0.000 0.279 59 L C 0.923 177.835 176.870 0.070 0.000 1.054 59 L CA -0.269 54.612 54.840 0.067 0.000 0.804 59 L CB 1.601 43.685 42.059 0.042 0.000 1.200 59 L HN -0.209 nan 8.230 nan 0.000 0.436 60 T N 3.933 118.541 114.554 0.089 0.000 2.743 60 T HA 0.443 4.788 4.350 -0.008 0.000 0.292 60 T C 0.006 174.760 174.700 0.090 0.000 0.972 60 T CA -0.378 61.767 62.100 0.075 0.000 0.967 60 T CB 0.659 69.557 68.868 0.050 0.000 0.926 60 T HN 0.158 nan 8.240 nan 0.000 0.459 61 I N 3.422 124.039 120.570 0.078 0.000 2.331 61 I HA 0.255 4.421 4.170 -0.008 0.000 0.292 61 I C 1.377 177.538 176.117 0.074 0.000 0.998 61 I CA -0.322 60.998 61.300 0.035 0.000 1.267 61 I CB 1.332 39.269 38.000 -0.105 0.000 1.386 61 I HN 0.798 nan 8.210 nan 0.000 0.476 62 E N 6.768 126.996 120.200 0.046 0.000 2.042 62 E HA -0.015 4.331 4.350 -0.008 0.000 0.189 62 E C 0.014 176.682 176.600 0.113 0.000 0.974 62 E CA 0.889 57.330 56.400 0.070 0.000 0.806 62 E CB 0.659 30.375 29.700 0.028 0.000 0.769 62 E HN 0.714 nan 8.360 nan 0.000 0.451 63 K N -1.254 119.169 120.400 0.038 0.000 2.597 63 K HA 0.443 4.758 4.320 -0.008 0.000 0.282 63 K C -1.553 175.013 176.600 -0.056 0.000 0.975 63 K CA -0.885 55.449 56.287 0.079 0.000 0.867 63 K CB 2.019 34.577 32.500 0.096 0.000 1.465 63 K HN -0.111 nan 8.250 nan 0.000 0.417 64 V N 1.535 121.445 119.914 -0.007 0.000 2.487 64 V HA 0.460 4.576 4.120 -0.008 0.000 0.298 64 V C -0.967 175.155 176.094 0.047 0.000 1.028 64 V CA -0.786 61.496 62.300 -0.030 0.000 0.860 64 V CB 1.669 33.449 31.823 -0.071 0.000 0.991 64 V HN 0.582 nan 8.190 nan 0.000 0.427 65 V N 6.487 126.422 119.914 0.035 0.000 2.487 65 V HA 0.599 4.715 4.120 -0.008 0.000 0.298 65 V C -0.405 175.713 176.094 0.039 0.000 1.028 65 V CA -0.375 61.951 62.300 0.043 0.000 0.860 65 V CB 1.888 33.735 31.823 0.041 0.000 0.991 65 V HN 0.711 nan 8.190 nan 0.000 0.427 66 I N 4.168 124.762 120.570 0.039 0.000 2.582 66 I HA 0.501 4.666 4.170 -0.008 0.000 0.292 66 I C 0.117 176.252 176.117 0.030 0.000 1.066 66 I CA -0.713 60.608 61.300 0.034 0.000 1.053 66 I CB 2.211 40.231 38.000 0.033 0.000 1.241 66 I HN 0.623 nan 8.210 nan 0.000 0.421 67 N N 4.033 122.748 118.700 0.026 0.000 2.741 67 N HA -0.198 4.538 4.740 -0.008 0.000 0.251 67 N C 0.858 176.381 175.510 0.022 0.000 1.112 67 N CA 1.492 54.555 53.050 0.021 0.000 0.750 67 N CB -1.067 37.431 38.487 0.019 0.000 1.119 67 N HN 1.205 nan 8.380 nan 0.000 0.561 68 G N -1.899 106.916 108.800 0.025 0.000 2.179 68 G HA2 -0.312 3.643 3.960 -0.008 0.000 0.260 68 G HA3 -0.312 3.643 3.960 -0.008 0.000 0.260 68 G C -0.268 174.647 174.900 0.026 0.000 0.977 68 G CA 0.677 45.792 45.100 0.025 0.000 0.641 68 G HN 0.444 nan 8.290 nan 0.000 0.533 69 Q N 0.247 120.064 119.800 0.029 0.000 2.394 69 Q HA 0.470 4.805 4.340 -0.008 0.000 0.273 69 Q C -0.147 175.878 176.000 0.042 0.000 1.089 69 Q CA -0.660 55.162 55.803 0.032 0.000 0.812 69 Q CB 1.499 30.253 28.738 0.027 0.000 1.353 69 Q HN 0.614 nan 8.270 nan 0.000 0.438 70 E N 0.939 121.167 120.200 0.048 0.000 2.360 70 E HA 0.299 4.645 4.350 -0.008 0.000 0.269 70 E C 0.057 176.701 176.600 0.073 0.000 1.022 70 E CA -0.301 56.140 56.400 0.069 0.000 0.887 70 E CB 0.997 30.742 29.700 0.075 0.000 0.990 70 E HN 0.387 nan 8.360 nan 0.000 0.426 71 V N -0.534 119.442 119.914 0.103 0.000 3.019 71 V HA 0.461 4.576 4.120 -0.008 0.000 0.317 71 V C -0.280 175.900 176.094 0.144 0.000 1.094 71 V CA -1.278 61.082 62.300 0.099 0.000 1.000 71 V CB 1.802 33.678 31.823 0.088 0.000 1.060 71 V HN 0.417 nan 8.190 nan 0.000 0.443 72 K N 1.907 122.359 120.400 0.087 0.000 2.270 72 K HA 0.445 4.761 4.320 -0.008 0.000 0.276 72 K C -0.966 175.711 176.600 0.127 0.000 1.023 72 K CA 0.118 56.426 56.287 0.035 0.000 0.955 72 K CB 1.032 33.526 32.500 -0.010 0.000 0.975 72 K HN 0.956 nan 8.250 nan 0.000 0.471 73 Y N -2.227 118.078 120.300 0.009 0.000 2.625 73 Y HA 0.694 5.239 4.550 -0.008 0.000 0.338 73 Y C -1.555 174.349 175.900 0.007 0.000 1.123 73 Y CA -1.452 56.653 58.100 0.008 0.000 1.046 73 Y CB 1.437 39.904 38.460 0.012 0.000 1.299 73 Y HN 0.507 nan 8.280 nan 0.000 0.464 74 A N 2.581 125.491 122.820 0.151 0.000 2.427 74 A HA 0.690 5.006 4.320 -0.008 0.000 0.298 74 A C -1.938 175.722 177.584 0.127 0.000 1.036 74 A CA -0.789 51.284 52.037 0.060 0.000 0.701 74 A CB 1.164 20.166 19.000 0.003 0.000 1.250 74 A HN 0.823 nan 8.150 nan 0.000 0.412 75 L N 2.803 124.096 121.223 0.117 0.000 2.265 75 L HA 0.527 4.862 4.340 -0.008 0.000 0.288 75 L C 1.190 178.086 176.870 0.043 0.000 1.058 75 L CA -0.368 54.526 54.840 0.089 0.000 0.809 75 L CB 1.465 43.584 42.059 0.100 0.000 1.179 75 L HN 0.910 nan 8.230 nan 0.000 0.429 76 G N 2.089 110.906 108.800 0.028 0.000 2.616 76 G HA2 0.275 4.231 3.960 -0.008 0.000 0.268 76 G HA3 0.275 4.231 3.960 -0.008 0.000 0.268 76 G C -0.309 174.595 174.900 0.006 0.000 1.213 76 G CA -0.534 44.573 45.100 0.012 0.000 0.926 76 G HN 0.755 nan 8.290 nan 0.000 0.523 77 E N -0.535 119.664 120.200 -0.001 0.000 2.398 77 E HA 0.171 4.516 4.350 -0.008 0.000 0.263 77 E C 0.454 177.046 176.600 -0.013 0.000 1.046 77 E CA -0.551 55.846 56.400 -0.005 0.000 0.908 77 E CB 0.975 30.671 29.700 -0.006 0.000 0.963 77 E HN 0.445 nan 8.360 nan 0.000 0.431 78 R N 1.739 122.231 120.500 -0.013 0.000 2.537 78 R HA -0.038 4.297 4.340 -0.008 0.000 0.280 78 R C -0.324 175.951 176.300 -0.042 0.000 1.058 78 R CA 0.200 56.285 56.100 -0.025 0.000 1.057 78 R CB 0.470 30.762 30.300 -0.014 0.000 0.973 78 R HN 0.674 nan 8.270 nan 0.000 0.438 79 Q N 3.138 122.892 119.800 -0.076 0.000 2.842 79 Q HA 0.113 4.448 4.340 -0.008 0.000 0.323 79 Q C -0.044 175.848 176.000 -0.180 0.000 1.111 79 Q CA -0.226 55.510 55.803 -0.112 0.000 1.047 79 Q CB 1.103 29.762 28.738 -0.132 0.000 1.280 79 Q HN 0.962 nan 8.270 nan 0.000 0.475 80 S N 0.533 116.174 115.700 -0.097 0.000 3.949 80 S HA -0.356 4.110 4.470 -0.008 0.000 0.626 80 S C 0.916 175.470 174.600 -0.077 0.000 2.168 80 S CA 1.876 60.044 58.200 -0.053 0.000 4.124 80 S CB -1.141 62.053 63.200 -0.010 0.000 0.220 80 S HN 0.814 nan 8.310 nan 0.000 0.750 81 Y N 1.127 121.427 120.300 -0.000 0.000 2.497 81 Y HA 0.335 4.878 4.550 -0.012 0.000 0.292 81 Y C 1.979 177.858 175.900 -0.036 0.000 1.137 81 Y CA 1.228 59.320 58.100 -0.013 0.000 1.285 81 Y CB -0.506 37.941 38.460 -0.023 0.000 0.991 81 Y HN 0.399 nan 8.280 nan 0.000 0.556 82 K N 0.847 120.889 120.400 -0.597 0.000 2.296 82 K HA 0.257 4.573 4.320 -0.008 0.000 0.200 82 K C 1.254 177.756 176.600 -0.163 0.000 1.048 82 K CA 0.587 56.653 56.287 -0.369 0.000 0.966 82 K CB -0.197 32.040 32.500 -0.438 0.000 0.754 82 K HN 0.605 nan 8.250 nan 0.000 0.466 83 G N 0.609 109.331 108.800 -0.130 0.000 2.508 83 G HA2 -0.208 3.747 3.960 -0.008 0.000 0.220 83 G HA3 -0.208 3.747 3.960 -0.008 0.000 0.220 83 G C -0.839 174.026 174.900 -0.059 0.000 1.287 83 G CA -0.536 44.526 45.100 -0.063 0.000 0.916 83 G HN 0.140 nan 8.290 nan 0.000 0.574 84 S N 2.839 118.518 115.700 -0.034 0.000 2.473 84 S HA 0.725 5.191 4.470 -0.008 0.000 0.307 84 S C -2.582 172.008 174.600 -0.017 0.000 1.094 84 S CA -0.731 57.455 58.200 -0.022 0.000 1.070 84 S CB 2.584 65.782 63.200 -0.003 0.000 1.019 84 S HN 0.738 nan 8.310 nan 0.000 0.480 85 P HA 0.157 nan 4.420 nan 0.000 0.276 85 P C -1.007 176.300 177.300 0.013 0.000 1.230 85 P CA -0.304 62.792 63.100 -0.006 0.000 0.776 85 P CB 0.489 32.185 31.700 -0.007 0.000 0.888 86 M N 2.877 122.484 119.600 0.013 0.000 2.023 86 M HA 0.247 4.722 4.480 -0.008 0.000 0.325 86 M C -0.181 176.145 176.300 0.045 0.000 0.963 86 M CA -0.561 54.762 55.300 0.038 0.000 0.928 86 M CB 0.728 33.332 32.600 0.006 0.000 1.429 86 M HN 0.296 nan 8.290 nan 0.000 0.404 87 E N 4.906 125.147 120.200 0.068 0.000 2.259 87 E HA 0.425 4.770 4.350 -0.008 0.000 0.281 87 E C -1.416 175.242 176.600 0.097 0.000 1.027 87 E CA -0.350 56.086 56.400 0.061 0.000 0.838 87 E CB 1.062 30.789 29.700 0.046 0.000 1.066 87 E HN 0.730 nan 8.360 nan 0.000 0.401 88 I N 3.181 123.795 120.570 0.074 0.000 2.406 88 I HA 0.174 4.339 4.170 -0.008 0.000 0.290 88 I C -0.451 175.707 176.117 0.068 0.000 0.999 88 I CA -0.733 60.623 61.300 0.093 0.000 1.124 88 I CB 2.081 40.116 38.000 0.059 0.000 1.289 88 I HN 0.381 nan 8.210 nan 0.000 0.441 89 S N 7.093 122.838 115.700 0.074 0.000 2.411 89 S HA 0.450 4.915 4.470 -0.008 0.000 0.294 89 S C 0.001 174.628 174.600 0.045 0.000 1.115 89 S CA -0.625 57.604 58.200 0.048 0.000 1.071 89 S CB 0.244 63.467 63.200 0.039 0.000 0.967 89 S HN 0.329 nan 8.310 nan 0.000 0.488 90 L N 5.596 126.840 121.223 0.034 0.000 2.426 90 L HA 0.209 4.544 4.340 -0.008 0.000 0.271 90 L C -0.847 176.039 176.870 0.026 0.000 1.169 90 L CA -1.486 53.372 54.840 0.030 0.000 0.836 90 L CB 0.217 42.290 42.059 0.023 0.000 1.112 90 L HN 0.423 nan 8.230 nan 0.000 0.465 91 P HA 0.013 nan 4.420 nan 0.000 0.220 91 P C 0.192 177.502 177.300 0.017 0.000 1.152 91 P CA 1.212 64.325 63.100 0.022 0.000 0.812 91 P CB 0.569 32.284 31.700 0.024 0.000 0.792 92 I N -0.634 119.945 120.570 0.016 0.000 2.569 92 I HA 0.419 4.584 4.170 -0.008 0.000 0.290 92 I C -0.111 176.013 176.117 0.012 0.000 1.088 92 I CA -1.561 59.746 61.300 0.012 0.000 1.047 92 I CB 2.204 40.211 38.000 0.011 0.000 1.237 92 I HN -0.194 nan 8.210 nan 0.000 0.421 93 A N 7.227 130.053 122.820 0.010 0.000 2.511 93 A HA 0.498 4.813 4.320 -0.008 0.000 0.242 93 A C -0.335 177.254 177.584 0.008 0.000 1.069 93 A CA 0.175 52.218 52.037 0.009 0.000 0.763 93 A CB 0.096 19.101 19.000 0.008 0.000 1.001 93 A HN 0.668 nan 8.150 nan 0.000 0.498 94 L N 2.506 123.734 121.223 0.008 0.000 2.322 94 L HA 0.435 4.771 4.340 -0.008 0.000 0.279 94 L C 0.896 177.769 176.870 0.005 0.000 1.036 94 L CA -0.563 54.282 54.840 0.007 0.000 0.807 94 L CB 1.764 43.828 42.059 0.008 0.000 1.226 94 L HN 0.888 nan 8.230 nan 0.000 0.433 95 S N 1.238 116.941 115.700 0.004 0.000 2.669 95 S HA 0.278 4.743 4.470 -0.008 0.000 0.270 95 S C -0.257 174.345 174.600 0.002 0.000 1.225 95 S CA -0.888 57.314 58.200 0.003 0.000 0.991 95 S CB 1.259 64.460 63.200 0.001 0.000 0.987 95 S HN 0.584 nan 8.310 nan 0.000 0.552 96 K N 0.669 121.070 120.400 0.002 0.000 2.451 96 K HA 0.026 4.342 4.320 -0.008 0.000 0.280 96 K C -0.085 176.515 176.600 -0.000 0.000 1.020 96 K CA 0.362 56.650 56.287 0.001 0.000 1.008 96 K CB -0.172 32.328 32.500 0.001 0.000 0.917 96 K HN 0.700 nan 8.250 nan 0.000 0.478 97 N N 1.102 119.802 118.700 0.000 0.000 2.984 97 N HA -0.226 4.509 4.740 -0.008 0.000 0.227 97 N C -0.676 174.833 175.510 -0.002 0.000 0.903 97 N CA 0.959 54.008 53.050 -0.002 0.000 0.995 97 N CB -0.956 37.529 38.487 -0.004 0.000 1.065 97 N HN 0.801 nan 8.380 nan 0.000 0.585 98 Q N 1.222 121.023 119.800 0.000 0.000 2.332 98 Q HA 0.173 4.508 4.340 -0.008 0.000 0.263 98 Q C -0.619 175.383 176.000 0.003 0.000 0.979 98 Q CA 0.484 56.287 55.803 0.001 0.000 0.885 98 Q CB 0.550 29.289 28.738 0.002 0.000 1.218 98 Q HN 0.175 nan 8.270 nan 0.000 0.405 99 E N 3.873 124.074 120.200 0.003 0.000 2.199 99 E HA 0.421 4.766 4.350 -0.008 0.000 0.269 99 E C -0.421 176.184 176.600 0.009 0.000 0.899 99 E CA -0.745 55.659 56.400 0.007 0.000 0.772 99 E CB 1.567 31.270 29.700 0.004 0.000 1.155 99 E HN 0.521 nan 8.360 nan 0.000 0.408 100 I N -1.452 119.127 120.570 0.015 0.000 3.174 100 I HA 0.554 4.719 4.170 -0.008 0.000 0.313 100 I C -0.925 175.208 176.117 0.027 0.000 1.155 100 I CA -1.244 60.067 61.300 0.018 0.000 0.977 100 I CB 1.245 39.255 38.000 0.018 0.000 1.248 100 I HN 0.240 nan 8.210 nan 0.000 0.453 101 V N 3.668 123.600 119.914 0.030 0.000 2.417 101 V HA 0.500 4.615 4.120 -0.008 0.000 0.291 101 V C 0.092 176.210 176.094 0.041 0.000 1.024 101 V CA -0.407 61.919 62.300 0.043 0.000 0.861 101 V CB 1.548 33.401 31.823 0.049 0.000 0.985 101 V HN 0.512 nan 8.190 nan 0.000 0.436 102 I N 4.023 124.617 120.570 0.041 0.000 2.355 102 I HA 0.430 4.595 4.170 -0.008 0.000 0.288 102 I C 0.016 176.155 176.117 0.036 0.000 0.999 102 I CA -0.277 61.042 61.300 0.031 0.000 1.163 102 I CB 1.642 39.652 38.000 0.018 0.000 1.316 102 I HN 0.652 nan 8.210 nan 0.000 0.454 103 E N 7.738 127.962 120.200 0.040 0.000 2.109 103 E HA 0.500 4.846 4.350 -0.008 0.000 0.278 103 E C -1.141 175.481 176.600 0.036 0.000 0.954 103 E CA -0.558 55.873 56.400 0.053 0.000 0.779 103 E CB 1.111 30.849 29.700 0.063 0.000 1.093 103 E HN 0.519 nan 8.360 nan 0.000 0.401 104 I N 3.323 123.921 120.570 0.047 0.000 2.362 104 I HA 0.200 4.365 4.170 -0.008 0.000 0.289 104 I C -0.218 175.988 176.117 0.149 0.000 0.994 104 I CA -0.667 60.653 61.300 0.035 0.000 1.158 104 I CB 1.945 39.931 38.000 -0.024 0.000 1.315 104 I HN 0.359 nan 8.210 nan 0.000 0.451 105 S N 6.881 122.630 115.700 0.081 0.000 2.452 105 S HA 0.631 5.096 4.470 -0.008 0.000 0.284 105 S C -0.526 174.138 174.600 0.106 0.000 1.171 105 S CA -0.456 57.782 58.200 0.063 0.000 1.064 105 S CB 0.311 63.511 63.200 0.000 0.000 0.967 105 S HN 0.466 nan 8.310 nan 0.000 0.484 106 F N 0.420 120.340 119.950 -0.050 0.000 2.643 106 F HA 0.826 5.349 4.527 -0.007 0.000 0.314 106 F C -0.768 175.015 175.800 -0.028 0.000 1.096 106 F CA -1.183 56.789 58.000 -0.047 0.000 0.953 106 F CB 1.354 40.320 39.000 -0.056 0.000 1.345 106 F HN 0.442 nan 8.300 nan 0.000 0.468 107 E N 0.764 120.994 120.200 0.051 0.000 2.331 107 E HA 0.441 4.786 4.350 -0.008 0.000 0.275 107 E C -1.240 175.449 176.600 0.147 0.000 0.895 107 E CA -0.917 55.469 56.400 -0.024 0.000 0.753 107 E CB 2.294 31.963 29.700 -0.052 0.000 1.216 107 E HN 0.934 nan 8.360 nan 0.000 0.434 108 T N 0.278 114.922 114.554 0.150 0.000 2.849 108 T HA 0.342 4.687 4.350 -0.008 0.000 0.284 108 T C 0.401 175.149 174.700 0.080 0.000 1.004 108 T CA -0.734 61.460 62.100 0.157 0.000 1.021 108 T CB 1.574 70.558 68.868 0.193 0.000 1.013 108 T HN 0.251 nan 8.240 nan 0.000 0.527 109 S N 1.116 116.858 115.700 0.070 0.000 2.586 109 S HA 0.380 4.846 4.470 -0.008 0.000 0.274 109 S C -1.670 172.944 174.600 0.023 0.000 1.281 109 S CA -1.722 56.493 58.200 0.026 0.000 1.035 109 S CB 0.537 63.751 63.200 0.024 0.000 0.962 109 S HN 0.572 nan 8.310 nan 0.000 0.512 110 P HA -0.083 nan 4.420 nan 0.000 0.221 110 P C 0.421 177.716 177.300 -0.008 0.000 1.145 110 P CA 1.177 64.198 63.100 -0.131 0.000 0.795 110 P CB -0.050 31.528 31.700 -0.202 0.000 0.775 111 K N -1.371 119.032 120.400 0.005 0.000 2.410 111 K HA 0.186 4.502 4.320 -0.008 0.000 0.200 111 K C 0.490 177.102 176.600 0.020 0.000 1.023 111 K CA -0.274 56.018 56.287 0.009 0.000 1.149 111 K CB -0.134 32.363 32.500 -0.005 0.000 0.859 111 K HN -0.219 nan 8.250 nan 0.000 0.514 112 S N 1.803 117.537 115.700 0.056 0.000 2.784 112 S HA -0.088 4.377 4.470 -0.008 0.000 0.322 112 S C 1.145 175.731 174.600 -0.024 0.000 1.234 112 S CA 0.237 58.465 58.200 0.046 0.000 1.064 112 S CB 0.275 63.527 63.200 0.087 0.000 0.787 112 S HN 0.570 nan 8.310 nan 0.000 0.506 113 S N 4.209 119.902 115.700 -0.012 0.000 2.547 113 S HA 0.028 4.494 4.470 -0.008 0.000 0.235 113 S C 1.656 176.077 174.600 -0.298 0.000 0.980 113 S CA 0.428 58.561 58.200 -0.113 0.000 0.941 113 S CB -0.265 62.978 63.200 0.072 0.000 0.763 113 S HN 0.929 nan 8.310 nan 0.000 0.532 114 A N 0.767 123.509 122.820 -0.130 0.000 2.132 114 A HA 0.511 4.826 4.320 -0.008 0.000 0.213 114 A C 0.765 178.268 177.584 -0.136 0.000 1.154 114 A CA 0.103 52.077 52.037 -0.106 0.000 0.753 114 A CB -0.135 18.877 19.000 0.019 0.000 0.826 114 A HN 0.540 nan 8.150 nan 0.000 0.469 115 L N -0.614 120.478 121.223 -0.218 0.000 2.354 115 L HA 0.495 4.831 4.340 -0.008 0.000 0.269 115 L C -0.327 176.251 176.870 -0.487 0.000 1.005 115 L CA -0.566 54.065 54.840 -0.349 0.000 0.819 115 L CB 1.971 43.825 42.059 -0.341 0.000 1.311 115 L HN 0.266 nan 8.230 nan 0.000 0.423 116 Q N 1.434 120.801 119.800 -0.722 0.000 2.330 116 Q HA 0.353 4.688 4.340 -0.008 0.000 0.269 116 Q C -1.952 173.761 176.000 -0.478 0.000 1.022 116 Q CA -0.632 54.821 55.803 -0.585 0.000 0.796 116 Q CB 1.582 29.926 28.738 -0.657 0.000 1.271 116 Q HN 0.478 nan 8.270 nan 0.000 0.450 117 W N 4.946 126.163 121.300 -0.138 0.000 2.361 117 W HA 0.466 5.120 4.660 -0.009 0.000 0.309 117 W C -0.772 175.797 176.519 0.083 0.000 1.122 117 W CA -0.409 56.947 57.345 0.020 0.000 1.208 117 W CB 0.789 30.260 29.460 0.018 0.000 1.246 117 W HN 0.415 nan 8.180 nan 0.000 0.490 118 L N 3.885 125.334 121.223 0.376 0.000 2.322 118 L HA 0.508 4.843 4.340 -0.008 0.000 0.281 118 L C 0.886 177.917 176.870 0.268 0.000 1.014 118 L CA -1.012 53.994 54.840 0.278 0.000 0.815 118 L CB 1.416 43.624 42.059 0.249 0.000 1.247 118 L HN 0.442 nan 8.230 nan 0.000 0.421 119 T N -0.941 113.721 114.554 0.180 0.000 2.813 119 T HA 0.182 4.528 4.350 -0.008 0.000 0.297 119 T C -1.911 172.850 174.700 0.101 0.000 1.036 119 T CA -1.431 60.746 62.100 0.129 0.000 1.044 119 T CB 0.918 69.836 68.868 0.082 0.000 0.993 119 T HN 0.344 nan 8.240 nan 0.000 0.535 120 P HA -0.130 nan 4.420 nan 0.000 0.218 120 P C 1.518 178.839 177.300 0.036 0.000 1.148 120 P CA 0.977 64.102 63.100 0.041 0.000 0.822 120 P CB 0.007 31.704 31.700 -0.004 0.000 0.784 121 E N 0.061 120.280 120.200 0.033 0.000 2.204 121 E HA -0.181 4.164 4.350 -0.008 0.000 0.194 121 E C 1.606 178.229 176.600 0.037 0.000 0.989 121 E CA 1.017 57.433 56.400 0.027 0.000 0.824 121 E CB -0.979 28.734 29.700 0.021 0.000 0.756 121 E HN 0.481 nan 8.360 nan 0.000 0.477 122 Q N 1.045 120.877 119.800 0.053 0.000 2.444 122 Q HA 0.031 4.367 4.340 -0.008 0.000 0.206 122 Q C 0.677 176.696 176.000 0.032 0.000 0.948 122 Q CA 0.661 56.498 55.803 0.057 0.000 0.946 122 Q CB 0.289 29.078 28.738 0.084 0.000 1.027 122 Q HN 0.343 nan 8.270 nan 0.000 0.513 123 T N -4.463 110.109 114.554 0.031 0.000 2.910 123 T HA 0.314 4.659 4.350 -0.008 0.000 0.279 123 T C 1.071 175.779 174.700 0.014 0.000 0.989 123 T CA -0.661 61.443 62.100 0.007 0.000 0.968 123 T CB 1.672 70.582 68.868 0.070 0.000 1.135 123 T HN -0.206 nan 8.240 nan 0.000 0.562 124 S N 0.067 115.775 115.700 0.013 0.000 2.371 124 S HA 0.106 4.571 4.470 -0.008 0.000 0.224 124 S C 2.183 176.803 174.600 0.033 0.000 1.029 124 S CA 1.102 59.315 58.200 0.023 0.000 0.978 124 S CB -0.867 62.349 63.200 0.027 0.000 0.833 124 S HN 0.935 nan 8.310 nan 0.000 0.466 125 G N 0.402 109.233 108.800 0.052 0.000 2.551 125 G HA2 0.009 3.964 3.960 -0.008 0.000 0.216 125 G HA3 0.009 3.964 3.960 -0.008 0.000 0.216 125 G C 0.415 175.322 174.900 0.011 0.000 1.137 125 G CA 0.312 45.439 45.100 0.045 0.000 0.798 125 G HN 0.288 nan 8.290 nan 0.000 0.536 126 K N -0.800 119.607 120.400 0.011 0.000 3.500 126 K HA -0.187 4.128 4.320 -0.008 0.000 0.313 126 K C 0.945 177.512 176.600 -0.056 0.000 1.338 126 K CA 1.631 57.912 56.287 -0.010 0.000 0.963 126 K CB -1.607 30.887 32.500 -0.010 0.000 1.267 126 K HN 0.606 nan 8.250 nan 0.000 0.448 127 E N -0.623 119.509 120.200 -0.113 0.000 2.332 127 E HA 0.089 4.435 4.350 -0.008 0.000 0.202 127 E C 0.289 176.663 176.600 -0.376 0.000 0.877 127 E CA 0.030 56.260 56.400 -0.283 0.000 0.979 127 E CB 0.360 29.803 29.700 -0.429 0.000 0.969 127 E HN 0.317 nan 8.360 nan 0.000 0.495 128 H N 0.662 119.728 119.070 -0.006 0.000 2.621 128 H HA 0.316 4.867 4.556 -0.008 0.000 0.360 128 H C -2.245 173.050 175.328 -0.054 0.000 1.163 128 H CA -2.357 53.659 56.048 -0.054 0.000 1.194 128 H CB 1.366 31.098 29.762 -0.050 0.000 1.649 128 H HN 0.006 nan 8.280 nan 0.000 0.532 129 P HA 0.133 nan 4.420 nan 0.000 0.277 129 P C -1.053 176.258 177.300 0.018 0.000 1.276 129 P CA -0.142 62.913 63.100 -0.076 0.000 0.788 129 P CB 1.360 32.851 31.700 -0.349 0.000 1.114 130 Y N -0.637 119.737 120.300 0.123 0.000 2.482 130 Y HA 0.527 5.072 4.550 -0.008 0.000 0.334 130 Y C -1.709 174.387 175.900 0.326 0.000 1.091 130 Y CA -1.039 57.193 58.100 0.220 0.000 1.027 130 Y CB 1.492 40.050 38.460 0.164 0.000 1.306 130 Y HN 0.270 nan 8.280 nan 0.000 0.446 131 L N 7.718 129.089 121.223 0.247 0.000 2.386 131 L HA 0.816 5.152 4.340 -0.008 0.000 0.271 131 L C -1.897 174.977 176.870 0.006 0.000 0.993 131 L CA -0.789 54.002 54.840 -0.082 0.000 0.819 131 L CB 1.367 43.098 42.059 -0.547 0.000 1.294 131 L HN 0.480 nan 8.230 nan 0.000 0.414 132 F N 1.842 121.772 119.950 -0.032 0.000 2.601 132 F HA 0.890 5.412 4.527 -0.008 0.000 0.309 132 F C -0.578 175.253 175.800 0.053 0.000 1.089 132 F CA -0.588 57.437 58.000 0.043 0.000 0.940 132 F CB 1.373 40.493 39.000 0.200 0.000 1.273 132 F HN 0.590 nan 8.300 nan 0.000 0.450 133 S N 1.607 117.512 115.700 0.343 0.000 2.651 133 S HA 0.715 5.181 4.470 -0.008 0.000 0.291 133 S C -0.891 173.966 174.600 0.428 0.000 1.141 133 S CA -0.575 57.753 58.200 0.213 0.000 1.027 133 S CB 1.833 65.074 63.200 0.068 0.000 1.043 133 S HN 0.904 nan 8.310 nan 0.000 0.530 134 Q N 0.803 120.767 119.800 0.273 0.000 2.878 134 Q HA 0.417 4.752 4.340 -0.008 0.000 0.232 134 Q C -0.680 175.399 176.000 0.132 0.000 0.893 134 Q CA -0.465 55.487 55.803 0.247 0.000 0.742 134 Q CB 0.235 29.168 28.738 0.325 0.000 1.354 134 Q HN 0.784 nan 8.270 nan 0.000 0.466 135 C N 1.886 121.248 119.300 0.103 0.000 2.485 135 C HA 0.149 4.604 4.460 -0.008 0.000 0.277 135 C C 1.063 176.131 174.990 0.129 0.000 1.376 135 C CA 0.116 59.214 59.018 0.134 0.000 1.759 135 C CB -0.260 27.531 27.740 0.086 0.000 1.970 135 C HN 0.763 nan 8.230 nan 0.000 0.509 136 Q N 0.303 120.134 119.800 0.052 0.000 2.337 136 Q HA 0.333 4.668 4.340 -0.008 0.000 0.270 136 Q C 0.853 176.681 176.000 -0.286 0.000 1.002 136 Q CA 0.234 55.927 55.803 -0.184 0.000 0.888 136 Q CB 0.904 29.499 28.738 -0.239 0.000 1.222 136 Q HN 0.499 nan 8.270 nan 0.000 0.400 137 A N 4.833 127.288 122.820 -0.609 0.000 1.901 137 A HA 0.067 4.382 4.320 -0.008 0.000 0.210 137 A C 1.126 178.376 177.584 -0.557 0.000 1.208 137 A CA 0.768 52.119 52.037 -1.144 0.000 0.644 137 A CB 0.043 17.799 19.000 -2.074 0.000 0.863 137 A HN 0.818 nan 8.150 nan 0.000 0.454 138 I N -4.974 115.295 120.570 -0.501 0.000 3.061 138 I HA 0.443 4.609 4.170 -0.008 0.000 0.341 138 I C 0.098 176.015 176.117 -0.333 0.000 1.457 138 I CA -0.348 60.795 61.300 -0.262 0.000 0.921 138 I CB 0.184 38.075 38.000 -0.182 0.000 1.845 138 I HN 0.093 nan 8.210 nan 0.000 0.535 139 H N -0.203 118.848 119.070 -0.032 0.000 2.652 139 H HA 0.168 4.719 4.556 -0.008 0.000 0.274 139 H C 1.840 177.160 175.328 -0.014 0.000 1.021 139 H CA 0.130 56.168 56.048 -0.015 0.000 1.187 139 H CB 0.736 30.491 29.762 -0.012 0.000 1.505 139 H HN 0.694 nan 8.280 nan 0.000 0.530 140 C N 2.233 121.579 119.300 0.077 0.000 2.411 140 C HA -0.125 4.330 4.460 -0.008 0.000 0.279 140 C C 2.946 177.919 174.990 -0.028 0.000 1.288 140 C CA 1.048 60.074 59.018 0.015 0.000 1.764 140 C CB -0.715 27.026 27.740 0.003 0.000 1.974 140 C HN 0.623 nan 8.230 nan 0.000 0.498 141 R N 0.936 121.425 120.500 -0.018 0.000 2.241 141 R HA 0.025 4.360 4.340 -0.008 0.000 0.224 141 R C 1.757 178.035 176.300 -0.038 0.000 1.101 141 R CA 1.569 57.640 56.100 -0.047 0.000 0.995 141 R CB -0.575 29.704 30.300 -0.034 0.000 0.870 141 R HN 0.484 nan 8.270 nan 0.000 0.463 142 A N 0.738 123.564 122.820 0.010 0.000 2.251 142 A HA 0.237 4.552 4.320 -0.008 0.000 0.209 142 A C 1.729 179.325 177.584 0.020 0.000 1.187 142 A CA 0.134 52.192 52.037 0.034 0.000 0.823 142 A CB -0.047 19.009 19.000 0.093 0.000 0.846 142 A HN 0.324 nan 8.150 nan 0.000 0.486 143 I N -1.211 119.344 120.570 -0.025 0.000 3.300 143 I HA 0.208 4.373 4.170 -0.008 0.000 0.279 143 I C -0.074 175.939 176.117 -0.174 0.000 1.172 143 I CA 0.340 61.624 61.300 -0.026 0.000 1.431 143 I CB 0.480 38.454 38.000 -0.043 0.000 1.240 143 I HN 0.352 nan 8.210 nan 0.000 0.453 144 L N -2.911 118.114 121.223 -0.330 0.000 2.518 144 L HA 0.659 4.995 4.340 -0.008 0.000 0.257 144 L C -3.170 173.438 176.870 -0.438 0.000 0.980 144 L CA -2.003 52.416 54.840 -0.702 0.000 0.837 144 L CB 0.688 42.299 42.059 -0.745 0.000 1.410 144 L HN -0.291 nan 8.230 nan 0.000 0.410 145 P HA 0.360 nan 4.420 nan 0.000 0.271 145 P C -0.866 176.315 177.300 -0.198 0.000 1.226 145 P CA -0.204 62.745 63.100 -0.253 0.000 0.765 145 P CB 0.459 32.023 31.700 -0.227 0.000 0.835 146 C N 0.897 120.120 119.300 -0.129 0.000 3.306 146 C HA 0.373 4.828 4.460 -0.008 0.000 0.335 146 C C -0.782 174.178 174.990 -0.051 0.000 1.382 146 C CA -0.993 57.970 59.018 -0.092 0.000 1.254 146 C CB 0.882 28.562 27.740 -0.100 0.000 1.555 146 C HN 0.447 nan 8.230 nan 0.000 0.463 147 Q N 1.152 120.933 119.800 -0.031 0.000 2.381 147 Q HA 0.188 4.524 4.340 -0.008 0.000 0.243 147 Q C -0.579 175.427 176.000 0.009 0.000 1.154 147 Q CA 0.342 56.140 55.803 -0.009 0.000 0.899 147 Q CB 0.275 29.010 28.738 -0.004 0.000 1.396 147 Q HN 0.604 nan 8.270 nan 0.000 0.485 148 D N 2.598 123.011 120.400 0.021 0.000 2.619 148 D HA 0.049 4.684 4.640 -0.008 0.000 0.224 148 D C -0.951 175.417 176.300 0.114 0.000 1.133 148 D CA 0.240 54.277 54.000 0.062 0.000 1.017 148 D CB 0.169 40.996 40.800 0.046 0.000 1.077 148 D HN 0.328 nan 8.370 nan 0.000 0.503 149 T N 0.857 115.467 114.554 0.093 0.000 2.993 149 T HA 0.370 4.715 4.350 -0.008 0.000 0.312 149 T C -2.371 172.336 174.700 0.012 0.000 1.115 149 T CA -1.614 60.520 62.100 0.055 0.000 1.027 149 T CB 2.012 70.886 68.868 0.010 0.000 1.116 149 T HN -0.097 nan 8.240 nan 0.000 0.464 150 P HA 0.036 nan 4.420 nan 0.000 0.242 150 P C 1.180 178.424 177.300 -0.092 0.000 1.197 150 P CA 0.417 63.461 63.100 -0.093 0.000 0.765 150 P CB -0.063 31.398 31.700 -0.398 0.000 0.936 151 S N -1.728 113.917 115.700 -0.092 0.000 2.522 151 S HA 0.065 4.530 4.470 -0.008 0.000 0.227 151 S C 0.788 175.371 174.600 -0.028 0.000 0.986 151 S CA -0.027 58.136 58.200 -0.063 0.000 0.929 151 S CB -0.642 62.526 63.200 -0.053 0.000 0.769 151 S HN -0.071 nan 8.310 nan 0.000 0.529 152 V N 1.796 121.701 119.914 -0.015 0.000 2.495 152 V HA 0.486 4.601 4.120 -0.008 0.000 0.298 152 V C -0.473 175.624 176.094 0.006 0.000 1.031 152 V CA -0.785 61.515 62.300 -0.001 0.000 0.871 152 V CB 1.859 33.684 31.823 0.002 0.000 0.988 152 V HN 0.248 nan 8.190 nan 0.000 0.432 153 K N 5.419 125.827 120.400 0.014 0.000 2.324 153 K HA 0.840 5.156 4.320 -0.008 0.000 0.253 153 K C -1.249 175.371 176.600 0.033 0.000 0.932 153 K CA -0.667 55.635 56.287 0.025 0.000 0.799 153 K CB 2.457 34.981 32.500 0.040 0.000 1.154 153 K HN 0.643 nan 8.250 nan 0.000 0.425 154 L N -1.395 119.854 121.223 0.043 0.000 2.393 154 L HA 0.633 4.969 4.340 -0.008 0.000 0.260 154 L C -0.048 176.877 176.870 0.091 0.000 1.002 154 L CA -0.948 53.927 54.840 0.058 0.000 0.818 154 L CB 1.824 43.903 42.059 0.034 0.000 1.369 154 L HN 0.605 nan 8.230 nan 0.000 0.412 155 T N -1.212 113.413 114.554 0.118 0.000 2.847 155 T HA 0.691 5.036 4.350 -0.008 0.000 0.279 155 T C -0.618 174.110 174.700 0.047 0.000 0.984 155 T CA -0.281 61.904 62.100 0.141 0.000 0.988 155 T CB 1.187 70.185 68.868 0.218 0.000 1.040 155 T HN 0.911 nan 8.240 nan 0.000 0.528 156 Y N -1.599 118.633 120.300 -0.113 0.000 2.609 156 Y HA 0.701 5.247 4.550 -0.008 0.000 0.336 156 Y C -0.840 175.061 175.900 0.002 0.000 1.129 156 Y CA -1.143 56.770 58.100 -0.311 0.000 1.040 156 Y CB 1.086 39.428 38.460 -0.197 0.000 1.310 156 Y HN 1.032 nan 8.280 nan 0.000 0.460 157 T N 0.214 114.948 114.554 0.299 0.000 2.906 157 T HA 0.981 5.327 4.350 -0.008 0.000 0.295 157 T C -0.851 174.130 174.700 0.469 0.000 1.061 157 T CA -0.344 61.998 62.100 0.404 0.000 1.000 157 T CB 1.699 70.859 68.868 0.487 0.000 1.103 157 T HN 1.683 nan 8.240 nan 0.000 0.486 158 A N 1.353 124.420 122.820 0.412 0.000 2.574 158 A HA 0.755 5.071 4.320 -0.008 0.000 0.297 158 A C -1.334 176.420 177.584 0.283 0.000 1.062 158 A CA -0.995 51.215 52.037 0.289 0.000 0.686 158 A CB 1.482 20.698 19.000 0.360 0.000 1.285 158 A HN 0.861 nan 8.150 nan 0.000 0.403 159 E N 0.647 120.936 120.200 0.149 0.000 2.218 159 E HA 0.539 4.884 4.350 -0.008 0.000 0.263 159 E C -1.470 175.216 176.600 0.144 0.000 0.879 159 E CA -0.744 55.741 56.400 0.143 0.000 0.762 159 E CB 2.480 32.235 29.700 0.091 0.000 1.166 159 E HN 0.336 nan 8.360 nan 0.000 0.415 160 V N 2.199 122.243 119.914 0.216 0.000 2.407 160 V HA 0.266 4.381 4.120 -0.008 0.000 0.291 160 V C -0.180 176.026 176.094 0.186 0.000 1.018 160 V CA -0.723 61.698 62.300 0.203 0.000 0.842 160 V CB 1.678 33.672 31.823 0.285 0.000 0.996 160 V HN 0.624 nan 8.190 nan 0.000 0.426 161 S N 4.717 120.486 115.700 0.114 0.000 2.475 161 S HA 0.746 5.212 4.470 -0.008 0.000 0.281 161 S C -0.449 174.231 174.600 0.133 0.000 1.198 161 S CA -0.363 57.899 58.200 0.103 0.000 1.063 161 S CB 0.918 64.151 63.200 0.055 0.000 0.972 161 S HN 1.107 nan 8.310 nan 0.000 0.486 162 V N 2.456 122.475 119.914 0.175 0.000 3.130 162 V HA 0.763 4.879 4.120 -0.008 0.000 0.310 162 V C -3.061 173.145 176.094 0.188 0.000 1.158 162 V CA -2.923 59.505 62.300 0.214 0.000 1.029 162 V CB 1.120 33.100 31.823 0.261 0.000 1.057 162 V HN 0.613 nan 8.190 nan 0.000 0.436 163 P HA 0.106 nan 4.420 nan 0.000 0.264 163 P C 0.429 177.788 177.300 0.098 0.000 1.183 163 P CA 0.221 63.400 63.100 0.132 0.000 0.763 163 P CB 0.324 32.097 31.700 0.122 0.000 0.807 164 K N 3.647 124.086 120.400 0.066 0.000 2.280 164 K HA -0.169 4.146 4.320 -0.008 0.000 0.202 164 K C 1.098 177.724 176.600 0.044 0.000 1.047 164 K CA 1.312 57.630 56.287 0.052 0.000 0.942 164 K CB -0.299 32.218 32.500 0.028 0.000 0.739 164 K HN 0.392 nan 8.250 nan 0.000 0.457 165 E N 1.394 121.591 120.200 -0.006 0.000 2.481 165 E HA 0.007 4.352 4.350 -0.008 0.000 0.195 165 E C 0.592 177.100 176.600 -0.153 0.000 1.047 165 E CA 0.213 56.562 56.400 -0.085 0.000 0.867 165 E CB -0.128 29.476 29.700 -0.159 0.000 0.858 165 E HN 0.378 nan 8.360 nan 0.000 0.513 166 L N 0.859 122.037 121.223 -0.075 0.000 2.358 166 L HA 0.465 4.800 4.340 -0.008 0.000 0.268 166 L C -0.126 176.768 176.870 0.039 0.000 1.032 166 L CA -1.215 53.581 54.840 -0.073 0.000 0.805 166 L CB 1.851 43.873 42.059 -0.063 0.000 1.253 166 L HN -0.212 nan 8.230 nan 0.000 0.452 167 V N 0.453 120.309 119.914 -0.096 0.000 2.555 167 V HA 0.674 4.789 4.120 -0.008 0.000 0.302 167 V C -0.018 175.778 176.094 -0.497 0.000 1.038 167 V CA -0.635 61.461 62.300 -0.340 0.000 0.887 167 V CB 1.701 33.390 31.823 -0.223 0.000 0.991 167 V HN 0.856 nan 8.190 nan 0.000 0.434 168 A N 5.354 127.646 122.820 -0.879 0.000 2.324 168 A HA 0.945 5.260 4.320 -0.008 0.000 0.330 168 A C -0.937 176.431 177.584 -0.361 0.000 1.165 168 A CA -0.494 51.276 52.037 -0.445 0.000 0.813 168 A CB 0.815 19.751 19.000 -0.107 0.000 1.197 168 A HN 0.781 nan 8.150 nan 0.000 0.484 169 L N 1.805 122.795 121.223 -0.390 0.000 2.388 169 L HA 0.678 5.013 4.340 -0.008 0.000 0.264 169 L C -0.323 176.188 176.870 -0.599 0.000 0.998 169 L CA -0.345 54.221 54.840 -0.458 0.000 0.817 169 L CB 2.254 43.961 42.059 -0.586 0.000 1.338 169 L HN 0.747 nan 8.230 nan 0.000 0.414 170 M N 0.121 119.260 119.600 -0.767 0.000 2.704 170 M HA 0.296 4.771 4.480 -0.008 0.000 0.284 170 M C -0.069 176.090 176.300 -0.234 0.000 1.275 170 M CA -0.729 54.236 55.300 -0.558 0.000 0.811 170 M CB 2.467 34.554 32.600 -0.855 0.000 1.741 170 M HN 0.556 nan 8.290 nan 0.000 0.458 171 S N 0.429 116.071 115.700 -0.096 0.000 4.085 171 S HA 0.607 5.072 4.470 -0.008 0.000 0.189 171 S C -0.301 174.297 174.600 -0.004 0.000 1.392 171 S CA -0.273 57.893 58.200 -0.056 0.000 0.972 171 S CB -1.077 62.069 63.200 -0.090 0.000 1.482 171 S HN 0.722 nan 8.310 nan 0.000 0.446 172 A N 1.913 124.717 122.820 -0.027 0.000 2.540 172 A HA 0.613 4.929 4.320 -0.008 0.000 0.291 172 A C -1.023 176.615 177.584 0.090 0.000 1.083 172 A CA -0.951 51.066 52.037 -0.032 0.000 0.650 172 A CB 0.471 19.378 19.000 -0.156 0.000 1.292 172 A HN 0.364 nan 8.150 nan 0.000 0.435 173 I N 1.426 122.055 120.570 0.099 0.000 2.441 173 I HA 0.240 4.405 4.170 -0.008 0.000 0.287 173 I C 0.876 177.111 176.117 0.196 0.000 1.049 173 I CA 0.016 61.399 61.300 0.138 0.000 1.381 173 I CB 0.582 38.637 38.000 0.092 0.000 1.409 173 I HN 0.636 nan 8.210 nan 0.000 0.523 174 R N 3.776 124.395 120.500 0.198 0.000 2.537 174 R HA 0.026 4.361 4.340 -0.008 0.000 0.280 174 R C -0.176 176.132 176.300 0.014 0.000 1.058 174 R CA 0.074 56.248 56.100 0.125 0.000 1.057 174 R CB 0.479 30.864 30.300 0.142 0.000 0.973 174 R HN 0.462 nan 8.270 nan 0.000 0.438 175 D N 1.244 121.572 120.400 -0.119 0.000 2.720 175 D HA 0.218 4.853 4.640 -0.008 0.000 0.285 175 D C -0.028 176.212 176.300 -0.099 0.000 1.359 175 D CA 0.479 54.433 54.000 -0.076 0.000 0.818 175 D CB 0.478 41.245 40.800 -0.055 0.000 1.108 175 D HN 0.787 nan 8.370 nan 0.000 0.474 176 G N 0.906 109.648 108.800 -0.096 0.000 2.603 176 G HA2 0.073 4.028 3.960 -0.008 0.000 0.686 176 G HA3 0.073 4.028 3.960 -0.008 0.000 0.686 176 G C -0.983 173.837 174.900 -0.133 0.000 1.286 176 G CA -0.411 44.642 45.100 -0.077 0.000 0.871 176 G HN 0.330 nan 8.290 nan 0.000 0.568 177 E N -1.757 118.350 120.200 -0.154 0.000 2.366 177 E HA 0.792 5.137 4.350 -0.008 0.000 0.278 177 E C -0.414 176.046 176.600 -0.233 0.000 0.923 177 E CA -0.441 55.770 56.400 -0.316 0.000 0.761 177 E CB 2.304 31.705 29.700 -0.498 0.000 1.231 177 E HN 1.461 nan 8.360 nan 0.000 0.443 178 T N -1.196 113.209 114.554 -0.248 0.000 2.843 178 T HA 0.559 4.904 4.350 -0.008 0.000 0.302 178 T C -2.946 171.663 174.700 -0.151 0.000 1.232 178 T CA -2.232 59.774 62.100 -0.156 0.000 1.009 178 T CB 1.307 70.116 68.868 -0.098 0.000 1.254 178 T HN 0.236 nan 8.240 nan 0.000 0.504 179 P HA 0.232 nan 4.420 nan 0.000 0.269 179 P C -0.757 176.512 177.300 -0.053 0.000 1.209 179 P CA -0.078 62.981 63.100 -0.068 0.000 0.776 179 P CB 0.284 31.959 31.700 -0.042 0.000 0.876 180 D N 3.131 123.510 120.400 -0.035 0.000 2.325 180 D HA 0.111 4.746 4.640 -0.008 0.000 0.251 180 D C -1.619 174.675 176.300 -0.010 0.000 1.196 180 D CA -2.140 51.849 54.000 -0.018 0.000 0.866 180 D CB 0.559 41.357 40.800 -0.003 0.000 1.101 180 D HN 0.099 nan 8.370 nan 0.000 0.476 181 P HA -0.106 nan 4.420 nan 0.000 0.222 181 P C 0.656 177.955 177.300 -0.001 0.000 1.147 181 P CA 0.943 64.039 63.100 -0.005 0.000 0.790 181 P CB 0.123 31.820 31.700 -0.005 0.000 0.780 182 E N -1.528 118.673 120.200 0.001 0.000 2.474 182 E HA 0.059 4.404 4.350 -0.008 0.000 0.195 182 E C -0.074 176.529 176.600 0.004 0.000 1.039 182 E CA 0.042 56.443 56.400 0.002 0.000 0.881 182 E CB -0.083 29.618 29.700 0.002 0.000 0.970 182 E HN -0.006 nan 8.360 nan 0.000 0.486 183 D N 0.303 120.706 120.400 0.006 0.000 2.266 183 D HA 0.111 4.746 4.640 -0.008 0.000 0.218 183 D C -2.431 173.876 176.300 0.011 0.000 1.311 183 D CA -1.688 52.318 54.000 0.011 0.000 0.918 183 D CB 1.596 42.406 40.800 0.017 0.000 1.530 183 D HN -0.240 nan 8.370 nan 0.000 0.514 184 P HA -0.071 nan 4.420 nan 0.000 0.228 184 P C 1.152 178.460 177.300 0.013 0.000 1.151 184 P CA 0.794 63.898 63.100 0.007 0.000 0.770 184 P CB 0.182 31.885 31.700 0.006 0.000 0.786 185 S N -2.161 113.552 115.700 0.021 0.000 2.603 185 S HA 0.104 4.569 4.470 -0.008 0.000 0.220 185 S C 0.848 175.472 174.600 0.039 0.000 0.967 185 S CA -0.099 58.120 58.200 0.031 0.000 0.920 185 S CB -0.334 62.889 63.200 0.038 0.000 0.773 185 S HN 0.069 nan 8.310 nan 0.000 0.529 186 R N 0.226 120.745 120.500 0.032 0.000 2.892 186 R HA 0.656 4.991 4.340 -0.008 0.000 0.265 186 R C -0.975 175.331 176.300 0.010 0.000 1.025 186 R CA -0.870 55.255 56.100 0.041 0.000 0.982 186 R CB 1.465 31.794 30.300 0.049 0.000 1.185 186 R HN 0.111 nan 8.270 nan 0.000 0.484 187 K N 1.403 121.809 120.400 0.009 0.000 2.375 187 K HA 0.485 4.800 4.320 -0.008 0.000 0.249 187 K C -1.128 175.416 176.600 -0.094 0.000 0.942 187 K CA -0.604 55.628 56.287 -0.092 0.000 0.806 187 K CB 1.557 33.953 32.500 -0.174 0.000 1.227 187 K HN 0.457 nan 8.250 nan 0.000 0.430 188 I N 4.001 124.467 120.570 -0.174 0.000 2.339 188 I HA 0.254 4.419 4.170 -0.008 0.000 0.290 188 I C -1.039 174.932 176.117 -0.244 0.000 0.994 188 I CA -0.816 60.422 61.300 -0.103 0.000 1.191 188 I CB 0.865 38.832 38.000 -0.055 0.000 1.343 188 I HN 0.530 nan 8.210 nan 0.000 0.458 189 Y N 5.312 125.586 120.300 -0.042 0.000 2.342 189 Y HA 0.451 4.997 4.550 -0.008 0.000 0.334 189 Y C -0.075 175.588 175.900 -0.396 0.000 1.067 189 Y CA -0.626 57.347 58.100 -0.212 0.000 1.128 189 Y CB 1.477 39.862 38.460 -0.125 0.000 1.200 189 Y HN 0.402 nan 8.280 nan 0.000 0.464 190 K N 2.808 122.916 120.400 -0.487 0.000 2.208 190 K HA 0.719 5.034 4.320 -0.008 0.000 0.247 190 K C -1.676 174.438 176.600 -0.809 0.000 0.953 190 K CA -0.497 55.545 56.287 -0.408 0.000 0.837 190 K CB 1.451 33.861 32.500 -0.149 0.000 1.131 190 K HN 0.380 nan 8.250 nan 0.000 0.431 191 F N 1.260 121.272 119.950 0.104 0.000 2.619 191 F HA 0.531 5.054 4.527 -0.007 0.000 0.308 191 F C -0.837 174.971 175.800 0.013 0.000 1.097 191 F CA -1.017 57.019 58.000 0.059 0.000 0.953 191 F CB 1.437 40.484 39.000 0.079 0.000 1.287 191 F HN 0.057 nan 8.300 nan 0.000 0.446 192 I N 2.292 122.932 120.570 0.116 0.000 2.499 192 I HA 0.320 4.486 4.170 -0.008 0.000 0.288 192 I C -1.134 174.894 176.117 -0.148 0.000 1.048 192 I CA -0.674 60.618 61.300 -0.013 0.000 1.062 192 I CB 1.818 39.830 38.000 0.020 0.000 1.238 192 I HN 0.543 nan 8.210 nan 0.000 0.426 193 Q N 5.548 125.136 119.800 -0.354 0.000 2.413 193 Q HA 0.368 4.703 4.340 -0.008 0.000 0.258 193 Q C -0.145 175.774 176.000 -0.135 0.000 1.037 193 Q CA -0.159 55.449 55.803 -0.325 0.000 0.764 193 Q CB 1.369 29.675 28.738 -0.720 0.000 1.217 193 Q HN 0.499 nan 8.270 nan 0.000 0.490 194 K N 1.881 122.242 120.400 -0.066 0.000 2.379 194 K HA 0.185 4.500 4.320 -0.008 0.000 0.194 194 K C -0.170 176.379 176.600 -0.085 0.000 1.031 194 K CA 0.158 56.412 56.287 -0.055 0.000 1.037 194 K CB 0.779 33.239 32.500 -0.067 0.000 0.824 194 K HN 0.311 nan 8.250 nan 0.000 0.516 195 V N 3.541 123.405 119.914 -0.083 0.000 2.439 195 V HA 0.179 4.294 4.120 -0.008 0.000 0.282 195 V C -2.420 173.684 176.094 0.016 0.000 1.039 195 V CA -2.405 59.813 62.300 -0.137 0.000 0.913 195 V CB 1.158 32.736 31.823 -0.409 0.000 0.983 195 V HN -0.016 nan 8.190 nan 0.000 0.460 196 P HA 0.282 nan 4.420 nan 0.000 0.267 196 P C -0.585 176.799 177.300 0.141 0.000 1.205 196 P CA 0.265 63.407 63.100 0.069 0.000 0.765 196 P CB 0.283 32.001 31.700 0.030 0.000 0.828 197 I N 0.764 121.407 120.570 0.121 0.000 2.934 197 I HA 0.707 4.873 4.170 -0.008 0.000 0.306 197 I C -2.778 173.334 176.117 -0.009 0.000 1.110 197 I CA -3.529 57.819 61.300 0.080 0.000 1.019 197 I CB 2.702 40.747 38.000 0.075 0.000 1.227 197 I HN 0.060 nan 8.210 nan 0.000 0.434 198 P HA 0.055 nan 4.420 nan 0.000 0.272 198 P C 0.837 178.043 177.300 -0.156 0.000 1.223 198 P CA -0.319 62.718 63.100 -0.105 0.000 0.784 198 P CB 1.031 32.670 31.700 -0.103 0.000 0.923 199 C N 0.751 120.030 119.300 -0.034 0.000 2.437 199 C HA -0.091 4.364 4.460 -0.008 0.000 0.283 199 C C 2.494 177.475 174.990 -0.016 0.000 1.424 199 C CA 0.229 59.218 59.018 -0.047 0.000 1.782 199 C CB -2.613 25.115 27.740 -0.020 0.000 1.833 199 C HN 0.635 nan 8.230 nan 0.000 0.532 200 Y N 0.499 120.830 120.300 0.052 0.000 2.616 200 Y HA 0.325 4.871 4.550 -0.007 0.000 0.296 200 Y C 1.733 177.626 175.900 -0.011 0.000 1.154 200 Y CA 0.403 58.541 58.100 0.064 0.000 1.325 200 Y CB -0.785 37.809 38.460 0.223 0.000 1.007 200 Y HN 0.263 nan 8.280 nan 0.000 0.542 201 L N 0.545 121.513 121.223 -0.425 0.000 2.607 201 L HA 0.205 4.540 4.340 -0.008 0.000 0.228 201 L C -0.240 176.499 176.870 -0.219 0.000 1.123 201 L CA -0.354 54.263 54.840 -0.372 0.000 0.890 201 L CB -0.020 41.746 42.059 -0.488 0.000 1.103 201 L HN 0.111 nan 8.230 nan 0.000 0.468 202 I N 1.135 121.588 120.570 -0.195 0.000 2.533 202 I HA 0.215 4.381 4.170 -0.008 0.000 0.284 202 I C 0.509 176.502 176.117 -0.206 0.000 1.109 202 I CA 0.399 61.551 61.300 -0.247 0.000 1.412 202 I CB 0.769 38.548 38.000 -0.368 0.000 1.396 202 I HN -0.031 nan 8.210 nan 0.000 0.543 203 A N 6.610 129.310 122.820 -0.200 0.000 2.515 203 A HA 0.902 5.217 4.320 -0.008 0.000 0.298 203 A C -1.697 175.823 177.584 -0.108 0.000 1.059 203 A CA -0.575 51.359 52.037 -0.172 0.000 0.698 203 A CB 1.575 20.345 19.000 -0.383 0.000 1.289 203 A HN 0.557 nan 8.150 nan 0.000 0.404 204 L N 1.658 122.874 121.223 -0.011 0.000 2.455 204 L HA 0.835 5.171 4.340 -0.008 0.000 0.264 204 L C -1.513 175.366 176.870 0.015 0.000 0.968 204 L CA -0.563 54.233 54.840 -0.073 0.000 0.827 204 L CB 1.983 43.961 42.059 -0.136 0.000 1.317 204 L HN 1.043 nan 8.230 nan 0.000 0.407 205 V N 5.615 125.465 119.914 -0.106 0.000 2.709 205 V HA 0.858 4.973 4.120 -0.008 0.000 0.308 205 V C -1.598 174.315 176.094 -0.302 0.000 1.062 205 V CA -0.330 61.854 62.300 -0.193 0.000 0.901 205 V CB 2.376 34.004 31.823 -0.324 0.000 1.003 205 V HN 0.598 nan 8.190 nan 0.000 0.425 206 V N 6.077 125.788 119.914 -0.339 0.000 2.525 206 V HA 1.018 5.133 4.120 -0.008 0.000 0.299 206 V C 0.382 176.242 176.094 -0.390 0.000 1.034 206 V CA 0.482 62.628 62.300 -0.257 0.000 0.863 206 V CB 1.025 32.836 31.823 -0.021 0.000 0.999 206 V HN 1.357 nan 8.190 nan 0.000 0.423 207 G N 2.822 111.386 108.800 -0.394 0.000 2.428 207 G HA2 0.604 4.559 3.960 -0.008 0.000 0.304 207 G HA3 0.604 4.559 3.960 -0.008 0.000 0.304 207 G C -0.933 173.872 174.900 -0.158 0.000 1.303 207 G CA -0.092 44.791 45.100 -0.361 0.000 0.825 207 G HN 1.051 nan 8.290 nan 0.000 0.484 208 A N 0.465 123.277 122.820 -0.014 0.000 2.915 208 A HA 0.619 4.934 4.320 -0.008 0.000 0.292 208 A C 0.142 177.788 177.584 0.102 0.000 1.632 208 A CA 0.033 52.086 52.037 0.026 0.000 1.337 208 A CB -1.018 18.055 19.000 0.122 0.000 1.111 208 A HN 0.517 nan 8.150 nan 0.000 0.569 209 L N 1.535 122.813 121.223 0.091 0.000 2.322 209 L HA 0.505 4.840 4.340 -0.008 0.000 0.279 209 L C 0.297 177.329 176.870 0.271 0.000 1.036 209 L CA -0.344 54.616 54.840 0.199 0.000 0.807 209 L CB 1.587 43.756 42.059 0.183 0.000 1.226 209 L HN 0.602 nan 8.230 nan 0.000 0.433 210 E N 1.024 121.366 120.200 0.237 0.000 2.336 210 E HA 0.563 4.908 4.350 -0.008 0.000 0.267 210 E C -1.183 175.352 176.600 -0.108 0.000 0.906 210 E CA -0.681 55.776 56.400 0.094 0.000 0.781 210 E CB 2.544 32.269 29.700 0.040 0.000 1.261 210 E HN 0.622 nan 8.360 nan 0.000 0.436 211 S N 1.160 116.598 115.700 -0.437 0.000 2.568 211 S HA 0.721 5.186 4.470 -0.008 0.000 0.293 211 S C -0.629 173.717 174.600 -0.423 0.000 1.089 211 S CA -0.991 56.726 58.200 -0.806 0.000 0.945 211 S CB 2.360 64.497 63.200 -1.771 0.000 1.077 211 S HN 0.567 nan 8.310 nan 0.000 0.485 212 R N 0.895 121.190 120.500 -0.342 0.000 2.621 212 R HA 0.401 4.737 4.340 -0.008 0.000 0.284 212 R C -1.115 175.094 176.300 -0.151 0.000 0.998 212 R CA -0.484 55.505 56.100 -0.184 0.000 0.895 212 R CB 1.766 32.011 30.300 -0.092 0.000 1.195 212 R HN 0.866 nan 8.270 nan 0.000 0.450 213 Q N 4.081 123.822 119.800 -0.098 0.000 2.314 213 Q HA 0.235 4.570 4.340 -0.008 0.000 0.258 213 Q C 0.366 176.362 176.000 -0.007 0.000 0.954 213 Q CA 0.052 55.826 55.803 -0.048 0.000 0.890 213 Q CB 0.857 29.580 28.738 -0.026 0.000 1.210 213 Q HN 0.780 nan 8.270 nan 0.000 0.410 214 I N -0.059 120.524 120.570 0.022 0.000 4.442 214 I HA 0.601 4.766 4.170 -0.008 0.000 0.331 214 I C 0.325 176.475 176.117 0.055 0.000 1.364 214 I CA -0.357 60.971 61.300 0.046 0.000 1.207 214 I CB 1.066 39.110 38.000 0.074 0.000 1.298 214 I HN 0.520 nan 8.210 nan 0.000 0.463 215 G N 1.389 110.222 108.800 0.055 0.000 2.608 215 G HA2 0.435 4.390 3.960 -0.008 0.000 0.291 215 G HA3 0.435 4.390 3.960 -0.008 0.000 0.291 215 G C -2.697 172.237 174.900 0.057 0.000 1.425 215 G CA -0.518 44.617 45.100 0.058 0.000 0.787 215 G HN -0.235 nan 8.290 nan 0.000 0.484 216 P HA -0.047 nan 4.420 nan 0.000 0.222 216 P C 0.850 178.195 177.300 0.075 0.000 1.147 216 P CA 0.918 64.053 63.100 0.058 0.000 0.790 216 P CB 0.221 31.952 31.700 0.052 0.000 0.780 217 R N -2.078 118.475 120.500 0.089 0.000 2.616 217 R HA 0.373 4.708 4.340 -0.008 0.000 0.427 217 R C -0.688 175.699 176.300 0.144 0.000 1.030 217 R CA -0.308 55.864 56.100 0.120 0.000 1.133 217 R CB -0.175 30.203 30.300 0.130 0.000 1.444 217 R HN -0.194 nan 8.270 nan 0.000 0.578 218 T N 1.747 116.374 114.554 0.121 0.000 2.949 218 T HA 0.413 4.759 4.350 -0.008 0.000 0.300 218 T C -1.247 173.499 174.700 0.077 0.000 0.988 218 T CA -0.556 61.621 62.100 0.128 0.000 0.993 218 T CB 1.746 70.711 68.868 0.162 0.000 0.984 218 T HN -0.046 nan 8.240 nan 0.000 0.442 219 L N 3.570 124.832 121.223 0.065 0.000 2.325 219 L HA 0.692 5.028 4.340 -0.008 0.000 0.278 219 L C 0.111 176.957 176.870 -0.040 0.000 1.023 219 L CA -0.960 53.844 54.840 -0.061 0.000 0.811 219 L CB 1.642 43.583 42.059 -0.198 0.000 1.249 219 L HN 0.564 nan 8.230 nan 0.000 0.431 220 V N -1.210 118.648 119.914 -0.094 0.000 2.481 220 V HA 0.609 4.724 4.120 -0.008 0.000 0.286 220 V C -1.131 174.882 176.094 -0.135 0.000 1.042 220 V CA -0.748 61.554 62.300 0.003 0.000 0.928 220 V CB 0.982 32.870 31.823 0.109 0.000 0.986 220 V HN 0.671 nan 8.190 nan 0.000 0.462 221 W N 3.121 124.424 121.300 0.005 0.000 2.632 221 W HA 0.815 5.471 4.660 -0.008 0.000 0.328 221 W C 0.291 176.803 176.519 -0.012 0.000 1.044 221 W CA 0.222 57.560 57.345 -0.012 0.000 1.225 221 W CB 2.160 31.588 29.460 -0.053 0.000 1.396 221 W HN 1.088 nan 8.180 nan 0.000 0.499 222 S N -0.153 115.687 115.700 0.234 0.000 2.655 222 S HA 0.377 4.842 4.470 -0.008 0.000 0.266 222 S C -0.976 173.723 174.600 0.166 0.000 1.149 222 S CA -1.322 56.977 58.200 0.165 0.000 0.818 222 S CB 1.200 64.467 63.200 0.112 0.000 1.130 222 S HN 0.479 nan 8.310 nan 0.000 0.476 223 E N 0.887 121.177 120.200 0.151 0.000 2.418 223 E HA 0.123 4.468 4.350 -0.008 0.000 0.261 223 E C 0.879 177.535 176.600 0.094 0.000 1.070 223 E CA -0.295 56.187 56.400 0.137 0.000 0.931 223 E CB 0.562 30.337 29.700 0.125 0.000 0.954 223 E HN 0.654 nan 8.360 nan 0.000 0.439 224 K N 2.077 122.528 120.400 0.085 0.000 2.089 224 K HA -0.229 4.087 4.320 -0.008 0.000 0.210 224 K C 1.448 178.074 176.600 0.043 0.000 1.048 224 K CA 1.857 58.180 56.287 0.059 0.000 0.926 224 K CB 0.085 32.620 32.500 0.058 0.000 0.714 224 K HN 0.460 nan 8.250 nan 0.000 0.448 225 E N 0.010 120.236 120.200 0.043 0.000 2.418 225 E HA -0.175 4.171 4.350 -0.008 0.000 0.197 225 E C 1.239 177.854 176.600 0.025 0.000 1.026 225 E CA 0.905 57.323 56.400 0.029 0.000 0.862 225 E CB 0.062 29.778 29.700 0.026 0.000 0.799 225 E HN 0.406 nan 8.360 nan 0.000 0.518 226 Q N 0.072 119.893 119.800 0.035 0.000 2.281 226 Q HA 0.148 4.484 4.340 -0.008 0.000 0.215 226 Q C 2.037 178.060 176.000 0.039 0.000 0.867 226 Q CA 0.059 55.883 55.803 0.035 0.000 0.940 226 Q CB 0.600 29.366 28.738 0.046 0.000 1.111 226 Q HN 0.061 nan 8.270 nan 0.000 0.513 227 V N 0.868 120.804 119.914 0.036 0.000 2.255 227 V HA -0.306 3.809 4.120 -0.008 0.000 0.247 227 V C 2.166 178.274 176.094 0.023 0.000 1.051 227 V CA 2.339 64.656 62.300 0.029 0.000 1.018 227 V CB -0.346 31.482 31.823 0.009 0.000 0.641 227 V HN 0.474 nan 8.190 nan 0.000 0.445 228 E N 0.126 120.334 120.200 0.013 0.000 2.077 228 E HA -0.282 4.064 4.350 -0.008 0.000 0.193 228 E C 2.322 178.932 176.600 0.017 0.000 0.989 228 E CA 1.577 57.984 56.400 0.011 0.000 0.800 228 E CB -0.091 29.608 29.700 -0.003 0.000 0.746 228 E HN 0.563 nan 8.360 nan 0.000 0.452 229 K N -0.057 120.344 120.400 0.001 0.000 2.097 229 K HA -0.081 4.234 4.320 -0.008 0.000 0.205 229 K C 2.169 178.741 176.600 -0.046 0.000 1.050 229 K CA 1.492 57.772 56.287 -0.011 0.000 0.938 229 K CB 0.044 32.531 32.500 -0.023 0.000 0.718 229 K HN -0.013 nan 8.250 nan 0.000 0.442 230 S N 0.573 116.249 115.700 -0.039 0.000 2.383 230 S HA -0.097 4.368 4.470 -0.008 0.000 0.227 230 S C 2.016 176.588 174.600 -0.046 0.000 1.026 230 S CA 1.018 59.167 58.200 -0.086 0.000 0.981 230 S CB -0.199 63.090 63.200 0.148 0.000 0.818 230 S HN 0.506 nan 8.310 nan 0.000 0.472 231 A N 0.509 123.355 122.820 0.043 0.000 1.940 231 A HA -0.148 4.167 4.320 -0.008 0.000 0.219 231 A C 1.975 179.596 177.584 0.061 0.000 1.176 231 A CA 1.630 53.710 52.037 0.071 0.000 0.631 231 A CB -0.842 18.193 19.000 0.059 0.000 0.814 231 A HN 0.605 nan 8.150 nan 0.000 0.446 232 Y N 0.127 120.381 120.300 -0.075 0.000 2.243 232 Y HA -0.057 4.489 4.550 -0.008 0.000 0.293 232 Y C 2.295 178.119 175.900 -0.128 0.000 1.124 232 Y CA 1.980 60.036 58.100 -0.073 0.000 1.159 232 Y CB -0.213 38.205 38.460 -0.070 0.000 1.008 232 Y HN 0.379 nan 8.280 nan 0.000 0.527 233 E N -0.206 119.849 120.200 -0.243 0.000 2.110 233 E HA -0.154 4.192 4.350 -0.008 0.000 0.193 233 E C 0.675 177.000 176.600 -0.458 0.000 0.988 233 E CA 1.451 57.555 56.400 -0.492 0.000 0.804 233 E CB -0.312 28.859 29.700 -0.882 0.000 0.745 233 E HN 0.441 nan 8.360 nan 0.000 0.458 234 F N -0.246 119.710 119.950 0.011 0.000 2.684 234 F HA 0.249 4.772 4.527 -0.008 0.000 0.298 234 F C 1.683 177.492 175.800 0.016 0.000 1.120 234 F CA 0.090 58.113 58.000 0.038 0.000 1.332 234 F CB -0.255 38.792 39.000 0.078 0.000 0.986 234 F HN -0.015 nan 8.300 nan 0.000 0.524 235 S N -0.563 115.163 115.700 0.042 0.000 2.474 235 S HA -0.182 4.284 4.470 -0.008 0.000 0.235 235 S C 1.208 175.830 174.600 0.036 0.000 0.997 235 S CA 1.006 59.213 58.200 0.012 0.000 0.949 235 S CB -0.443 62.695 63.200 -0.103 0.000 0.766 235 S HN 0.456 nan 8.310 nan 0.000 0.517 236 E N 1.109 121.344 120.200 0.059 0.000 2.476 236 E HA 0.157 4.502 4.350 -0.008 0.000 0.191 236 E C 1.456 178.105 176.600 0.082 0.000 1.064 236 E CA 0.406 56.841 56.400 0.059 0.000 0.866 236 E CB -0.547 29.196 29.700 0.072 0.000 0.952 236 E HN 0.422 nan 8.360 nan 0.000 0.492 237 T N 1.055 115.681 114.554 0.121 0.000 2.684 237 T HA -0.232 4.113 4.350 -0.008 0.000 0.267 237 T C 1.797 176.530 174.700 0.056 0.000 1.036 237 T CA 1.793 63.967 62.100 0.123 0.000 1.148 237 T CB -0.151 68.837 68.868 0.200 0.000 0.863 237 T HN 0.238 nan 8.240 nan 0.000 0.436 238 E N 1.556 121.789 120.200 0.054 0.000 2.110 238 E HA -0.115 4.230 4.350 -0.008 0.000 0.193 238 E C 2.319 178.920 176.600 0.002 0.000 0.988 238 E CA 1.655 58.069 56.400 0.022 0.000 0.804 238 E CB -0.396 29.324 29.700 0.033 0.000 0.745 238 E HN 0.554 nan 8.360 nan 0.000 0.458 239 S N -0.350 115.353 115.700 0.005 0.000 2.383 239 S HA -0.175 4.290 4.470 -0.008 0.000 0.227 239 S C 2.106 176.694 174.600 -0.019 0.000 1.026 239 S CA 1.354 59.547 58.200 -0.012 0.000 0.981 239 S CB -0.385 62.801 63.200 -0.023 0.000 0.818 239 S HN 0.299 nan 8.310 nan 0.000 0.472 240 M N 0.771 120.366 119.600 -0.008 0.000 2.175 240 M HA 0.099 4.574 4.480 -0.008 0.000 0.264 240 M C 2.255 178.537 176.300 -0.029 0.000 1.063 240 M CA 1.183 56.478 55.300 -0.007 0.000 1.119 240 M CB -0.603 32.012 32.600 0.026 0.000 1.377 240 M HN 0.294 nan 8.290 nan 0.000 0.415 241 L N -0.028 121.158 121.223 -0.062 0.000 2.083 241 L HA -0.234 4.102 4.340 -0.008 0.000 0.209 241 L C 2.516 179.382 176.870 -0.007 0.000 1.083 241 L CA 1.232 56.023 54.840 -0.082 0.000 0.752 241 L CB -0.452 41.497 42.059 -0.183 0.000 0.899 241 L HN 0.209 nan 8.230 nan 0.000 0.433 242 K N 0.051 120.443 120.400 -0.013 0.000 2.057 242 K HA -0.143 4.173 4.320 -0.008 0.000 0.207 242 K C 1.903 178.492 176.600 -0.018 0.000 1.049 242 K CA 1.197 57.484 56.287 0.000 0.000 0.931 242 K CB -0.031 32.467 32.500 -0.003 0.000 0.714 242 K HN 0.085 nan 8.250 nan 0.000 0.440 243 I N 0.604 121.154 120.570 -0.034 0.000 2.252 243 I HA -0.183 3.982 4.170 -0.008 0.000 0.245 243 I C 2.237 178.290 176.117 -0.105 0.000 1.102 243 I CA 1.440 62.708 61.300 -0.053 0.000 1.385 243 I CB -1.428 36.548 38.000 -0.039 0.000 1.064 243 I HN 0.156 nan 8.210 nan 0.000 0.414 244 A N 0.592 123.339 122.820 -0.122 0.000 1.902 244 A HA -0.212 4.103 4.320 -0.008 0.000 0.217 244 A C 2.250 179.491 177.584 -0.571 0.000 1.181 244 A CA 1.549 53.397 52.037 -0.315 0.000 0.623 244 A CB -0.643 18.262 19.000 -0.158 0.000 0.818 244 A HN 0.463 nan 8.150 nan 0.000 0.443 245 E N -0.743 119.333 120.200 -0.207 0.000 2.110 245 E HA -0.233 4.112 4.350 -0.008 0.000 0.193 245 E C 1.682 178.206 176.600 -0.127 0.000 0.988 245 E CA 1.219 57.591 56.400 -0.048 0.000 0.804 245 E CB -0.175 29.627 29.700 0.170 0.000 0.745 245 E HN 0.706 nan 8.360 nan 0.000 0.458 246 D N 0.390 120.720 120.400 -0.117 0.000 2.144 246 D HA -0.119 4.516 4.640 -0.008 0.000 0.200 246 D C 1.846 178.060 176.300 -0.144 0.000 0.978 246 D CA 0.889 54.832 54.000 -0.094 0.000 0.833 246 D CB 0.085 40.846 40.800 -0.065 0.000 0.961 246 D HN 0.094 nan 8.370 nan 0.000 0.470 247 L N -1.102 119.985 121.223 -0.227 0.000 2.162 247 L HA 0.226 4.561 4.340 -0.008 0.000 0.205 247 L C 2.386 179.068 176.870 -0.314 0.000 1.086 247 L CA 1.104 55.806 54.840 -0.230 0.000 0.778 247 L CB -0.206 41.726 42.059 -0.210 0.000 0.928 247 L HN 0.133 nan 8.230 nan 0.000 0.446 248 G N -1.090 107.350 108.800 -0.601 0.000 2.833 248 G HA2 0.452 4.407 3.960 -0.008 0.000 0.210 248 G HA3 0.452 4.407 3.960 -0.008 0.000 0.210 248 G C 0.681 175.327 174.900 -0.423 0.000 1.139 248 G CA 0.532 45.167 45.100 -0.774 0.000 0.771 248 G HN 0.509 nan 8.290 nan 0.000 0.535 249 G N 0.010 108.680 108.800 -0.217 0.000 2.498 249 G HA2 0.044 4.000 3.960 -0.008 0.000 0.651 249 G HA3 0.044 4.000 3.960 -0.008 0.000 0.651 249 G C -2.983 172.135 174.900 0.363 0.000 1.284 249 G CA -0.541 44.608 45.100 0.081 0.000 0.950 249 G HN 0.218 nan 8.290 nan 0.000 0.511 250 P HA 0.215 nan 4.420 nan 0.000 0.266 250 P C -0.705 176.870 177.300 0.457 0.000 1.195 250 P CA 0.204 63.502 63.100 0.330 0.000 0.768 250 P CB 0.344 32.142 31.700 0.163 0.000 0.838 251 Y N 3.741 124.229 120.300 0.313 0.000 2.480 251 Y HA 0.158 4.703 4.550 -0.008 0.000 0.341 251 Y C 1.258 177.143 175.900 -0.025 0.000 1.031 251 Y CA -0.013 58.151 58.100 0.107 0.000 1.295 251 Y CB 0.383 38.952 38.460 0.182 0.000 1.162 251 Y HN 0.192 nan 8.280 nan 0.000 0.523 252 V N 2.956 122.484 119.914 -0.643 0.000 3.647 252 V HA 0.059 4.174 4.120 -0.008 0.000 0.279 252 V C 0.530 176.158 176.094 -0.777 0.000 1.314 252 V CA 0.146 62.061 62.300 -0.641 0.000 1.125 252 V CB -0.792 30.620 31.823 -0.686 0.000 0.907 252 V HN 0.841 nan 8.190 nan 0.000 0.434 253 W N 1.111 121.945 121.300 -0.777 0.000 3.278 253 W HA 0.658 5.313 4.660 -0.008 0.000 0.308 253 W C 1.840 178.274 176.519 -0.142 0.000 1.253 253 W CA 0.683 57.729 57.345 -0.498 0.000 1.759 253 W CB 0.285 29.361 29.460 -0.640 0.000 1.093 253 W HN 0.507 nan 8.180 nan 0.000 0.648 254 G N 1.148 110.039 108.800 0.151 0.000 4.269 254 G HA2 -0.354 3.601 3.960 -0.008 0.000 0.290 254 G HA3 -0.354 3.601 3.960 -0.008 0.000 0.290 254 G C 0.295 175.446 174.900 0.419 0.000 1.570 254 G CA 0.335 45.587 45.100 0.252 0.000 1.072 254 G HN 0.348 nan 8.290 nan 0.000 0.681 255 Q N -0.262 119.763 119.800 0.375 0.000 2.227 255 Q HA 0.714 5.049 4.340 -0.008 0.000 0.245 255 Q C -0.796 175.480 176.000 0.461 0.000 0.926 255 Q CA -0.873 55.139 55.803 0.349 0.000 0.895 255 Q CB 1.583 30.465 28.738 0.240 0.000 1.230 255 Q HN 0.903 nan 8.270 nan 0.000 0.450 256 Y N 1.538 121.954 120.300 0.194 0.000 2.749 256 Y HA 0.367 4.912 4.550 -0.008 0.000 0.343 256 Y C -1.539 174.431 175.900 0.116 0.000 1.015 256 Y CA -1.007 57.170 58.100 0.128 0.000 1.270 256 Y CB 0.706 39.116 38.460 -0.084 0.000 1.097 256 Y HN 0.759 nan 8.280 nan 0.000 0.571 257 D N 3.879 124.169 120.400 -0.183 0.000 2.294 257 D HA 0.481 5.117 4.640 -0.008 0.000 0.250 257 D C -0.740 175.417 176.300 -0.239 0.000 1.058 257 D CA -0.044 53.925 54.000 -0.052 0.000 0.950 257 D CB 1.765 42.684 40.800 0.198 0.000 1.158 257 D HN 0.511 nan 8.370 nan 0.000 0.453 258 L N 1.188 122.387 121.223 -0.039 0.000 2.346 258 L HA 0.474 4.809 4.340 -0.008 0.000 0.276 258 L C -0.946 175.961 176.870 0.062 0.000 1.006 258 L CA -1.081 53.713 54.840 -0.076 0.000 0.817 258 L CB 1.773 43.767 42.059 -0.108 0.000 1.272 258 L HN 0.095 nan 8.230 nan 0.000 0.421 259 L N 3.842 125.040 121.223 -0.042 0.000 2.325 259 L HA 0.549 4.884 4.340 -0.008 0.000 0.281 259 L C -0.825 175.931 176.870 -0.190 0.000 1.004 259 L CA -0.319 54.456 54.840 -0.108 0.000 0.823 259 L CB 1.844 43.670 42.059 -0.389 0.000 1.236 259 L HN 0.251 nan 8.230 nan 0.000 0.415 260 V N 6.581 126.452 119.914 -0.071 0.000 2.348 260 V HA 0.345 4.460 4.120 -0.008 0.000 0.270 260 V C 0.465 176.462 176.094 -0.161 0.000 1.037 260 V CA -0.390 61.870 62.300 -0.068 0.000 0.872 260 V CB 0.840 32.729 31.823 0.110 0.000 1.002 260 V HN 0.659 nan 8.190 nan 0.000 0.464 261 L N 7.284 128.308 121.223 -0.331 0.000 2.469 261 L HA 0.487 4.822 4.340 -0.008 0.000 0.253 261 L C -1.982 174.713 176.870 -0.291 0.000 1.143 261 L CA -1.484 53.105 54.840 -0.419 0.000 0.804 261 L CB 0.326 41.895 42.059 -0.816 0.000 1.214 261 L HN 0.408 nan 8.230 nan 0.000 0.476 262 P HA 0.079 nan 4.420 nan 0.000 0.271 262 P C -2.210 175.038 177.300 -0.086 0.000 1.244 262 P CA -0.919 62.037 63.100 -0.240 0.000 0.793 262 P CB -0.077 31.434 31.700 -0.315 0.000 0.984 263 P HA -0.125 nan 4.420 nan 0.000 0.225 263 P C 1.063 178.407 177.300 0.073 0.000 1.148 263 P CA 1.375 64.500 63.100 0.040 0.000 0.779 263 P CB -0.333 31.394 31.700 0.045 0.000 0.780 264 S N -2.014 113.751 115.700 0.109 0.000 2.603 264 S HA -0.015 4.451 4.470 -0.008 0.000 0.220 264 S C 0.515 175.221 174.600 0.175 0.000 0.967 264 S CA -0.465 57.833 58.200 0.163 0.000 0.920 264 S CB -1.325 62.023 63.200 0.248 0.000 0.773 264 S HN -0.046 nan 8.310 nan 0.000 0.529 265 F N 4.888 124.782 119.950 -0.094 0.000 2.602 265 F HA 0.253 4.776 4.527 -0.007 0.000 0.385 265 F C -1.499 174.183 175.800 -0.197 0.000 1.063 265 F CA -2.384 55.475 58.000 -0.235 0.000 1.233 265 F CB 0.803 39.578 39.000 -0.374 0.000 1.067 265 F HN 0.028 nan 8.300 nan 0.000 0.564 266 P HA -0.082 nan 4.420 nan 0.000 0.229 266 P C -0.876 175.718 177.300 -1.177 0.000 1.160 266 P CA 1.354 63.857 63.100 -0.995 0.000 0.777 266 P CB 0.118 31.090 31.700 -1.214 0.000 0.814 267 Y N -1.991 117.796 120.300 -0.854 0.000 2.633 267 Y HA 0.566 5.110 4.550 -0.009 0.000 0.339 267 Y C 2.099 177.895 175.900 -0.174 0.000 1.045 267 Y CA -0.667 57.155 58.100 -0.463 0.000 1.098 267 Y CB 0.197 38.424 38.460 -0.388 0.000 1.296 267 Y HN -0.340 nan 8.280 nan 0.000 0.494 268 G N -0.253 108.596 108.800 0.081 0.000 2.408 268 G HA2 0.316 4.271 3.960 -0.008 0.000 0.217 268 G HA3 0.316 4.271 3.960 -0.008 0.000 0.217 268 G C 0.366 175.419 174.900 0.256 0.000 1.150 268 G CA 0.923 46.082 45.100 0.098 0.000 0.776 268 G HN 0.953 nan 8.290 nan 0.000 0.542 269 G N -1.752 107.241 108.800 0.321 0.000 2.646 269 G HA2 0.523 4.478 3.960 -0.008 0.000 0.291 269 G HA3 0.523 4.478 3.960 -0.008 0.000 0.291 269 G C -1.799 173.321 174.900 0.366 0.000 1.445 269 G CA -0.672 44.650 45.100 0.370 0.000 0.814 269 G HN 0.304 nan 8.290 nan 0.000 0.495 270 M N 1.256 121.045 119.600 0.315 0.000 2.324 270 M HA 0.398 4.873 4.480 -0.008 0.000 0.288 270 M C -0.013 176.304 176.300 0.029 0.000 1.097 270 M CA -0.881 54.510 55.300 0.153 0.000 0.928 270 M CB 2.027 34.718 32.600 0.152 0.000 1.648 270 M HN 0.538 nan 8.290 nan 0.000 0.460 271 E N 2.462 122.661 120.200 -0.002 0.000 2.424 271 E HA 0.083 4.428 4.350 -0.008 0.000 0.237 271 E C -1.093 175.402 176.600 -0.176 0.000 1.381 271 E CA -0.024 56.365 56.400 -0.018 0.000 1.587 271 E CB -1.112 28.584 29.700 -0.008 0.000 1.398 271 E HN 0.824 nan 8.360 nan 0.000 0.439 272 N N 3.736 122.277 118.700 -0.265 0.000 2.411 272 N HA 0.027 4.763 4.740 -0.008 0.000 0.261 272 N C -2.341 172.981 175.510 -0.313 0.000 1.248 272 N CA -0.864 51.973 53.050 -0.355 0.000 0.885 272 N CB 0.380 38.524 38.487 -0.572 0.000 1.062 272 N HN 0.217 nan 8.380 nan 0.000 0.471 273 P HA -0.080 nan 4.420 nan 0.000 0.264 273 P C 0.138 177.310 177.300 -0.212 0.000 1.193 273 P CA 0.027 62.825 63.100 -0.504 0.000 0.763 273 P CB 0.505 31.784 31.700 -0.701 0.000 0.810 274 C N 0.983 120.219 119.300 -0.107 0.000 5.688 274 C HA -0.202 4.254 4.460 -0.008 0.000 0.291 274 C C 0.458 175.418 174.990 -0.050 0.000 2.111 274 C CA 0.688 59.729 59.018 0.038 0.000 1.870 274 C CB -2.362 25.423 27.740 0.075 0.000 2.828 274 C HN 0.655 nan 8.230 nan 0.000 0.449 275 L N 1.242 122.391 121.223 -0.124 0.000 2.490 275 L HA 0.450 4.785 4.340 -0.008 0.000 0.261 275 L C 0.048 176.880 176.870 -0.063 0.000 1.232 275 L CA 0.410 55.195 54.840 -0.092 0.000 0.892 275 L CB 0.690 42.749 42.059 0.000 0.000 1.085 275 L HN 0.180 nan 8.230 nan 0.000 0.491 276 T N 3.801 118.237 114.554 -0.197 0.000 2.902 276 T HA 0.287 4.632 4.350 -0.008 0.000 0.301 276 T C -0.163 174.620 174.700 0.138 0.000 1.012 276 T CA 0.622 62.686 62.100 -0.061 0.000 1.151 276 T CB -0.096 68.726 68.868 -0.077 0.000 0.946 276 T HN 0.136 nan 8.240 nan 0.000 0.542 277 F N 3.510 123.346 119.950 -0.189 0.000 2.394 277 F HA 0.542 5.064 4.527 -0.008 0.000 0.340 277 F C 0.552 176.168 175.800 -0.306 0.000 1.105 277 F CA -1.555 56.235 58.000 -0.351 0.000 1.124 277 F CB 0.815 39.504 39.000 -0.518 0.000 1.145 277 F HN 0.283 nan 8.300 nan 0.000 0.505 278 V N -0.625 119.153 119.914 -0.227 0.000 3.040 278 V HA 0.647 4.763 4.120 -0.008 0.000 0.312 278 V C -0.264 175.771 176.094 -0.099 0.000 1.115 278 V CA -0.905 61.340 62.300 -0.091 0.000 0.998 278 V CB 1.379 33.136 31.823 -0.110 0.000 1.042 278 V HN 0.724 nan 8.190 nan 0.000 0.433 279 T N 2.976 117.621 114.554 0.150 0.000 2.919 279 T HA 0.389 4.734 4.350 -0.008 0.000 0.302 279 T C -1.147 173.635 174.700 0.136 0.000 1.031 279 T CA -0.830 61.379 62.100 0.181 0.000 1.127 279 T CB 1.203 70.190 68.868 0.199 0.000 0.952 279 T HN 0.846 nan 8.240 nan 0.000 0.540 280 P HA -0.008 nan 4.420 nan 0.000 0.234 280 P C 1.221 178.602 177.300 0.136 0.000 1.167 280 P CA 0.731 63.898 63.100 0.113 0.000 0.763 280 P CB -0.362 31.373 31.700 0.058 0.000 0.835 281 T N -3.280 111.368 114.554 0.156 0.000 3.163 281 T HA 0.030 4.376 4.350 -0.008 0.000 0.260 281 T C 1.677 176.496 174.700 0.198 0.000 1.156 281 T CA 0.325 62.535 62.100 0.184 0.000 1.072 281 T CB -1.035 68.005 68.868 0.286 0.000 0.937 281 T HN 0.076 nan 8.240 nan 0.000 0.528 282 L N -0.025 121.329 121.223 0.219 0.000 2.478 282 L HA 0.280 4.616 4.340 -0.008 0.000 0.223 282 L C 1.113 178.089 176.870 0.177 0.000 1.140 282 L CA 0.359 55.352 54.840 0.256 0.000 0.842 282 L CB -0.354 41.953 42.059 0.413 0.000 0.953 282 L HN 0.314 nan 8.230 nan 0.000 0.452 283 L N 0.915 122.209 121.223 0.118 0.000 2.416 283 L HA 0.100 4.435 4.340 -0.008 0.000 0.243 283 L C 1.614 178.497 176.870 0.022 0.000 1.373 283 L CA -0.415 54.435 54.840 0.017 0.000 1.227 283 L CB 0.002 42.069 42.059 0.014 0.000 1.428 283 L HN 0.103 nan 8.230 nan 0.000 0.425 284 A N 0.772 123.610 122.820 0.029 0.000 2.119 284 A HA 0.252 4.568 4.320 -0.008 0.000 0.216 284 A C 1.894 179.490 177.584 0.020 0.000 1.152 284 A CA 0.865 52.918 52.037 0.026 0.000 0.708 284 A CB -0.100 18.916 19.000 0.027 0.000 0.805 284 A HN 0.773 nan 8.150 nan 0.000 0.460 285 G N -0.067 108.750 108.800 0.030 0.000 2.195 285 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.246 285 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.246 285 G C 0.277 175.257 174.900 0.132 0.000 0.984 285 G CA 0.972 46.104 45.100 0.054 0.000 0.633 285 G HN 0.949 nan 8.290 nan 0.000 0.525 286 D N -0.592 119.873 120.400 0.108 0.000 2.539 286 D HA 0.216 4.851 4.640 -0.008 0.000 0.232 286 D C 0.964 177.305 176.300 0.069 0.000 1.256 286 D CA 0.399 54.472 54.000 0.121 0.000 0.810 286 D CB -0.434 40.398 40.800 0.053 0.000 1.090 286 D HN 0.478 nan 8.370 nan 0.000 0.519 287 K N -0.103 120.321 120.400 0.039 0.000 3.341 287 K HA -0.212 4.104 4.320 -0.008 0.000 0.305 287 K C 1.079 177.729 176.600 0.084 0.000 1.270 287 K CA 1.025 57.328 56.287 0.027 0.000 0.897 287 K CB -2.337 30.149 32.500 -0.022 0.000 1.264 287 K HN 0.337 nan 8.250 nan 0.000 0.468 288 S N 0.169 115.898 115.700 0.049 0.000 2.481 288 S HA -0.006 4.459 4.470 -0.008 0.000 0.231 288 S C 1.251 175.917 174.600 0.111 0.000 0.996 288 S CA 0.441 58.653 58.200 0.019 0.000 0.942 288 S CB -0.009 63.092 63.200 -0.165 0.000 0.768 288 S HN 0.402 nan 8.310 nan 0.000 0.520 289 L N 2.490 123.799 121.223 0.144 0.000 2.848 289 L HA 0.290 4.625 4.340 -0.008 0.000 0.240 289 L C 1.800 178.823 176.870 0.255 0.000 1.232 289 L CA 0.148 55.106 54.840 0.196 0.000 1.031 289 L CB -0.181 41.986 42.059 0.180 0.000 1.338 289 L HN 0.412 nan 8.230 nan 0.000 0.509 290 S N -0.938 114.929 115.700 0.278 0.000 2.555 290 S HA -0.133 4.332 4.470 -0.008 0.000 0.230 290 S C 1.699 176.468 174.600 0.282 0.000 0.978 290 S CA 0.630 59.014 58.200 0.307 0.000 0.934 290 S CB -0.432 62.951 63.200 0.304 0.000 0.766 290 S HN 0.666 nan 8.310 nan 0.000 0.533 291 N N 2.061 120.926 118.700 0.275 0.000 2.289 291 N HA -0.100 4.635 4.740 -0.008 0.000 0.184 291 N C 1.489 177.135 175.510 0.226 0.000 1.016 291 N CA 1.272 54.471 53.050 0.247 0.000 0.872 291 N CB -0.695 37.922 38.487 0.217 0.000 0.973 291 N HN 0.409 nan 8.380 nan 0.000 0.433 292 V N 1.633 121.671 119.914 0.206 0.000 2.407 292 V HA -0.167 3.948 4.120 -0.008 0.000 0.248 292 V C 2.550 178.780 176.094 0.226 0.000 1.055 292 V CA 0.980 63.395 62.300 0.191 0.000 1.049 292 V CB -0.406 31.508 31.823 0.152 0.000 0.662 292 V HN 0.237 nan 8.190 nan 0.000 0.455 293 I N 0.713 121.402 120.570 0.198 0.000 2.315 293 I HA -0.147 4.019 4.170 -0.008 0.000 0.248 293 I C 2.708 178.947 176.117 0.202 0.000 1.117 293 I CA 1.766 63.171 61.300 0.175 0.000 1.404 293 I CB -1.685 36.401 38.000 0.144 0.000 1.071 293 I HN 0.305 nan 8.210 nan 0.000 0.419 294 A N 0.102 123.045 122.820 0.204 0.000 1.933 294 A HA -0.279 4.036 4.320 -0.008 0.000 0.218 294 A C 2.292 179.990 177.584 0.189 0.000 1.175 294 A CA 2.020 54.162 52.037 0.175 0.000 0.628 294 A CB -1.059 18.052 19.000 0.184 0.000 0.814 294 A HN 0.536 nan 8.150 nan 0.000 0.444 295 H N -0.310 118.844 119.070 0.140 0.000 2.299 295 H HA -0.082 4.469 4.556 -0.008 0.000 0.302 295 H C 2.006 177.436 175.328 0.170 0.000 1.078 295 H CA 1.863 57.988 56.048 0.130 0.000 1.323 295 H CB 0.112 29.968 29.762 0.157 0.000 1.381 295 H HN 0.372 nan 8.280 nan 0.000 0.498 296 E N 0.471 120.905 120.200 0.390 0.000 2.106 296 E HA -0.134 4.211 4.350 -0.008 0.000 0.192 296 E C 2.551 179.342 176.600 0.319 0.000 0.984 296 E CA 0.934 57.576 56.400 0.404 0.000 0.806 296 E CB -0.236 29.687 29.700 0.371 0.000 0.750 296 E HN 0.606 nan 8.360 nan 0.000 0.458 297 I N 1.181 121.878 120.570 0.211 0.000 2.163 297 I HA -0.285 3.881 4.170 -0.008 0.000 0.243 297 I C 2.264 178.542 176.117 0.267 0.000 1.085 297 I CA 1.149 62.479 61.300 0.050 0.000 1.347 297 I CB -0.227 37.717 38.000 -0.095 0.000 1.044 297 I HN -0.029 nan 8.210 nan 0.000 0.408 298 S N -0.766 115.067 115.700 0.222 0.000 2.419 298 S HA -0.191 4.275 4.470 -0.008 0.000 0.233 298 S C 1.888 176.672 174.600 0.307 0.000 1.016 298 S CA 0.860 59.226 58.200 0.276 0.000 0.974 298 S CB -0.458 62.769 63.200 0.044 0.000 0.786 298 S HN 0.428 nan 8.310 nan 0.000 0.492 299 H N 1.517 120.682 119.070 0.157 0.000 2.489 299 H HA 0.065 4.616 4.556 -0.008 0.000 0.293 299 H C 2.110 177.474 175.328 0.061 0.000 1.066 299 H CA 0.962 57.070 56.048 0.100 0.000 1.305 299 H CB -0.316 29.484 29.762 0.062 0.000 1.386 299 H HN 0.315 nan 8.280 nan 0.000 0.551 300 S N -0.488 115.298 115.700 0.142 0.000 2.469 300 S HA -0.139 4.326 4.470 -0.008 0.000 0.238 300 S C 1.588 176.053 174.600 -0.225 0.000 0.998 300 S CA 0.646 58.715 58.200 -0.218 0.000 0.957 300 S CB 0.009 62.990 63.200 -0.365 0.000 0.764 300 S HN 0.549 nan 8.310 nan 0.000 0.514 301 W N 1.110 122.527 121.300 0.194 0.000 3.330 301 W HA 0.147 4.802 4.660 -0.008 0.000 0.243 301 W C 0.591 177.157 176.519 0.078 0.000 0.954 301 W CA 0.254 57.674 57.345 0.125 0.000 2.074 301 W CB -1.018 28.495 29.460 0.089 0.000 1.096 301 W HN 0.146 nan 8.180 nan 0.000 0.643 302 T N -0.373 114.400 114.554 0.365 0.000 2.782 302 T HA 0.567 4.912 4.350 -0.008 0.000 0.298 302 T C 0.698 175.572 174.700 0.290 0.000 0.944 302 T CA 0.612 62.858 62.100 0.243 0.000 1.001 302 T CB 0.964 69.973 68.868 0.235 0.000 0.932 302 T HN 0.412 nan 8.240 nan 0.000 0.524 303 G N 4.429 113.358 108.800 0.216 0.000 2.905 303 G HA2 -0.262 3.694 3.960 -0.008 0.000 0.199 303 G HA3 -0.262 3.694 3.960 -0.008 0.000 0.199 303 G C 0.980 175.968 174.900 0.146 0.000 1.370 303 G CA -0.043 45.206 45.100 0.249 0.000 0.966 303 G HN 0.546 nan 8.290 nan 0.000 0.522 304 N N 0.542 119.302 118.700 0.100 0.000 2.368 304 N HA 0.302 5.037 4.740 -0.008 0.000 0.176 304 N C 2.194 177.820 175.510 0.194 0.000 1.021 304 N CA 1.082 54.145 53.050 0.020 0.000 0.888 304 N CB 0.003 38.337 38.487 -0.257 0.000 0.995 304 N HN 0.495 nan 8.380 nan 0.000 0.437 305 L N -0.564 120.742 121.223 0.138 0.000 2.265 305 L HA 0.219 4.554 4.340 -0.008 0.000 0.195 305 L C 0.453 177.255 176.870 -0.114 0.000 1.083 305 L CA 0.219 55.035 54.840 -0.041 0.000 0.798 305 L CB 0.224 42.176 42.059 -0.177 0.000 0.989 305 L HN -0.067 nan 8.230 nan 0.000 0.472 306 V N 0.806 120.663 119.914 -0.095 0.000 2.383 306 V HA 0.342 4.457 4.120 -0.008 0.000 0.275 306 V C -0.531 175.523 176.094 -0.067 0.000 1.036 306 V CA -0.002 62.212 62.300 -0.144 0.000 0.889 306 V CB 1.311 32.945 31.823 -0.314 0.000 0.985 306 V HN 0.182 nan 8.190 nan 0.000 0.459 307 T N 7.075 121.587 114.554 -0.069 0.000 2.863 307 T HA 0.401 4.746 4.350 -0.008 0.000 0.285 307 T C -0.295 174.354 174.700 -0.085 0.000 1.009 307 T CA -0.618 61.471 62.100 -0.019 0.000 0.989 307 T CB 1.002 69.880 68.868 0.017 0.000 1.004 307 T HN 0.887 nan 8.240 nan 0.000 0.455 308 N N 1.993 120.642 118.700 -0.085 0.000 2.492 308 N HA 0.106 4.841 4.740 -0.008 0.000 0.262 308 N C 0.836 176.227 175.510 -0.198 0.000 1.202 308 N CA -0.531 52.438 53.050 -0.134 0.000 0.926 308 N CB 1.481 39.922 38.487 -0.076 0.000 1.078 308 N HN 0.558 nan 8.380 nan 0.000 0.454 309 K N 0.760 121.067 120.400 -0.156 0.000 2.103 309 K HA -0.088 4.227 4.320 -0.008 0.000 0.204 309 K C 0.609 177.108 176.600 -0.168 0.000 1.052 309 K CA 1.250 57.450 56.287 -0.145 0.000 0.945 309 K CB 0.092 32.520 32.500 -0.120 0.000 0.722 309 K HN 0.856 nan 8.250 nan 0.000 0.443 310 T N -5.001 109.492 114.554 -0.101 0.000 2.865 310 T HA 0.209 4.555 4.350 -0.008 0.000 0.294 310 T C 0.019 174.597 174.700 -0.204 0.000 1.119 310 T CA -0.924 61.065 62.100 -0.185 0.000 1.007 310 T CB 0.355 69.243 68.868 0.032 0.000 1.225 310 T HN 0.285 nan 8.240 nan 0.000 0.515 311 W N 0.176 121.497 121.300 0.034 0.000 2.699 311 W HA 0.119 4.773 4.660 -0.010 0.000 0.249 311 W C 1.319 177.848 176.519 0.017 0.000 1.280 311 W CA -0.077 57.260 57.345 -0.014 0.000 1.345 311 W CB -0.137 29.246 29.460 -0.129 0.000 1.128 311 W HN 0.706 nan 8.180 nan 0.000 0.642 312 D N -1.211 119.262 120.400 0.123 0.000 2.263 312 D HA -0.139 4.496 4.640 -0.008 0.000 0.208 312 D C 1.279 177.495 176.300 -0.141 0.000 0.971 312 D CA 1.288 55.257 54.000 -0.051 0.000 0.867 312 D CB -0.264 40.407 40.800 -0.214 0.000 0.929 312 D HN 0.331 nan 8.370 nan 0.000 0.492 313 H N -0.997 118.206 119.070 0.221 0.000 2.469 313 H HA 0.061 4.613 4.556 -0.006 0.000 0.286 313 H C 1.055 176.457 175.328 0.123 0.000 1.106 313 H CA -0.408 55.753 56.048 0.188 0.000 1.055 313 H CB -0.177 29.616 29.762 0.051 0.000 1.618 313 H HN 0.056 nan 8.280 nan 0.000 0.559 314 F N 2.313 122.358 119.950 0.158 0.000 2.192 314 F HA -0.257 4.265 4.527 -0.008 0.000 0.301 314 F C 2.335 178.190 175.800 0.092 0.000 1.079 314 F CA 1.227 59.320 58.000 0.155 0.000 1.303 314 F CB -0.266 38.878 39.000 0.241 0.000 1.024 314 F HN 0.390 nan 8.300 nan 0.000 0.494 315 W N 0.724 122.014 121.300 -0.017 0.000 2.364 315 W HA -0.208 4.448 4.660 -0.008 0.000 0.281 315 W C 1.539 177.968 176.519 -0.149 0.000 1.219 315 W CA 1.039 58.284 57.345 -0.166 0.000 1.220 315 W CB -1.476 27.942 29.460 -0.069 0.000 1.127 315 W HN 0.134 nan 8.180 nan 0.000 0.556 316 L N 1.466 122.069 121.223 -1.034 0.000 2.012 316 L HA -0.283 4.052 4.340 -0.008 0.000 0.210 316 L C 2.544 179.247 176.870 -0.278 0.000 1.073 316 L CA 2.013 56.305 54.840 -0.914 0.000 0.748 316 L CB -1.166 40.474 42.059 -0.698 0.000 0.891 316 L HN -0.017 nan 8.230 nan 0.000 0.431 317 N N -0.336 118.233 118.700 -0.217 0.000 2.043 317 N HA -0.180 4.556 4.740 -0.008 0.000 0.193 317 N C 1.837 177.287 175.510 -0.099 0.000 1.037 317 N CA 1.286 54.302 53.050 -0.057 0.000 0.851 317 N CB -0.094 38.398 38.487 0.009 0.000 1.027 317 N HN 0.262 nan 8.380 nan 0.000 0.422 318 E N -0.600 119.371 120.200 -0.381 0.000 2.140 318 E HA 0.110 4.455 4.350 -0.008 0.000 0.191 318 E C 2.052 178.581 176.600 -0.118 0.000 0.973 318 E CA 0.617 56.768 56.400 -0.415 0.000 0.829 318 E CB -0.630 28.410 29.700 -1.100 0.000 0.781 318 E HN 0.385 nan 8.360 nan 0.000 0.466 319 G N 0.725 109.510 108.800 -0.024 0.000 2.421 319 G HA2 -0.264 3.692 3.960 -0.008 0.000 0.216 319 G HA3 -0.264 3.692 3.960 -0.008 0.000 0.216 319 G C 1.259 176.236 174.900 0.128 0.000 1.171 319 G CA 0.999 46.184 45.100 0.141 0.000 0.775 319 G HN 0.320 nan 8.290 nan 0.000 0.543 320 H N -0.203 118.921 119.070 0.090 0.000 2.395 320 H HA 0.048 4.599 4.556 -0.008 0.000 0.299 320 H C 2.902 178.343 175.328 0.188 0.000 1.070 320 H CA 1.624 57.775 56.048 0.172 0.000 1.356 320 H CB -0.061 29.758 29.762 0.095 0.000 1.401 320 H HN 0.270 nan 8.280 nan 0.000 0.524 321 T N -0.181 114.439 114.554 0.109 0.000 2.777 321 T HA -0.122 4.223 4.350 -0.008 0.000 0.266 321 T C 2.254 176.927 174.700 -0.046 0.000 1.040 321 T CA 1.269 63.275 62.100 -0.157 0.000 1.141 321 T CB -0.351 68.053 68.868 -0.773 0.000 0.868 321 T HN 0.098 nan 8.240 nan 0.000 0.444 322 V N 0.432 120.429 119.914 0.138 0.000 2.427 322 V HA -0.149 3.967 4.120 -0.008 0.000 0.248 322 V C 1.992 178.261 176.094 0.292 0.000 1.051 322 V CA 1.430 63.876 62.300 0.244 0.000 1.048 322 V CB -0.720 31.268 31.823 0.275 0.000 0.666 322 V HN 0.493 nan 8.190 nan 0.000 0.456 323 Y N 0.478 121.016 120.300 0.397 0.000 2.145 323 Y HA -0.224 4.322 4.550 -0.008 0.000 0.286 323 Y C 2.217 178.337 175.900 0.368 0.000 1.145 323 Y CA 1.739 60.141 58.100 0.503 0.000 1.148 323 Y CB -0.191 38.516 38.460 0.412 0.000 0.981 323 Y HN 0.134 nan 8.280 nan 0.000 0.507 324 L N 0.089 121.535 121.223 0.372 0.000 2.056 324 L HA -0.204 4.131 4.340 -0.008 0.000 0.207 324 L C 2.584 179.534 176.870 0.133 0.000 1.078 324 L CA 1.796 56.781 54.840 0.241 0.000 0.749 324 L CB -0.705 41.470 42.059 0.192 0.000 0.901 324 L HN 0.323 nan 8.230 nan 0.000 0.433 325 E N 0.788 121.050 120.200 0.103 0.000 2.065 325 E HA -0.291 4.054 4.350 -0.008 0.000 0.201 325 E C 2.265 178.906 176.600 0.068 0.000 1.016 325 E CA 1.671 58.130 56.400 0.097 0.000 0.818 325 E CB 0.002 29.786 29.700 0.139 0.000 0.749 325 E HN 0.419 nan 8.360 nan 0.000 0.453 326 R N -0.881 119.607 120.500 -0.020 0.000 2.189 326 R HA -0.050 4.285 4.340 -0.008 0.000 0.218 326 R C 2.418 178.666 176.300 -0.086 0.000 1.074 326 R CA 0.802 56.839 56.100 -0.105 0.000 0.991 326 R CB -0.219 29.911 30.300 -0.282 0.000 0.883 326 R HN 0.364 nan 8.270 nan 0.000 0.457 327 H N 0.755 119.797 119.070 -0.046 0.000 2.395 327 H HA 0.026 4.577 4.556 -0.008 0.000 0.299 327 H C 2.129 177.473 175.328 0.027 0.000 1.070 327 H CA 1.089 57.124 56.048 -0.022 0.000 1.356 327 H CB 0.101 29.823 29.762 -0.067 0.000 1.401 327 H HN 0.149 nan 8.280 nan 0.000 0.524 328 I N -0.256 120.406 120.570 0.153 0.000 2.179 328 I HA -0.303 3.863 4.170 -0.008 0.000 0.242 328 I C 2.596 178.789 176.117 0.127 0.000 1.088 328 I CA 0.938 62.301 61.300 0.104 0.000 1.357 328 I CB -0.300 37.754 38.000 0.090 0.000 1.051 328 I HN 0.210 nan 8.210 nan 0.000 0.409 329 C N 0.884 120.305 119.300 0.201 0.000 2.440 329 C HA -0.069 4.386 4.460 -0.008 0.000 0.278 329 C C 2.964 178.189 174.990 0.391 0.000 1.295 329 C CA 0.985 60.229 59.018 0.377 0.000 1.738 329 C CB -1.676 26.325 27.740 0.434 0.000 1.987 329 C HN 0.676 nan 8.230 nan 0.000 0.492 330 G N -0.024 108.933 108.800 0.261 0.000 2.422 330 G HA2 -0.251 3.705 3.960 -0.008 0.000 0.218 330 G HA3 -0.251 3.705 3.960 -0.008 0.000 0.218 330 G C 1.725 176.731 174.900 0.177 0.000 1.146 330 G CA 0.825 46.076 45.100 0.251 0.000 0.769 330 G HN 0.592 nan 8.290 nan 0.000 0.547 331 R N -0.875 119.693 120.500 0.113 0.000 2.115 331 R HA 0.130 4.465 4.340 -0.008 0.000 0.226 331 R C 2.242 178.494 176.300 -0.079 0.000 1.100 331 R CA 0.539 56.659 56.100 0.034 0.000 0.980 331 R CB -0.264 30.048 30.300 0.019 0.000 0.875 331 R HN 0.277 nan 8.270 nan 0.000 0.445 332 L N -0.789 120.318 121.223 -0.195 0.000 2.109 332 L HA 0.052 4.387 4.340 -0.008 0.000 0.207 332 L C 0.814 177.205 176.870 -0.799 0.000 1.086 332 L CA 1.725 56.197 54.840 -0.613 0.000 0.760 332 L CB -0.074 41.413 42.059 -0.953 0.000 0.910 332 L HN 0.182 nan 8.230 nan 0.000 0.437 333 F N -1.500 118.452 119.950 0.002 0.000 2.856 333 F HA 0.570 5.093 4.527 -0.008 0.000 0.338 333 F C 0.959 176.754 175.800 -0.009 0.000 1.100 333 F CA 0.024 57.958 58.000 -0.110 0.000 1.150 333 F CB 0.064 38.802 39.000 -0.436 0.000 1.101 333 F HN -0.033 nan 8.300 nan 0.000 0.548 334 G N 1.042 109.967 108.800 0.208 0.000 2.617 334 G HA2 -0.132 3.824 3.960 -0.008 0.000 0.686 334 G HA3 -0.132 3.824 3.960 -0.008 0.000 0.686 334 G C 0.094 175.145 174.900 0.252 0.000 1.214 334 G CA -0.269 44.943 45.100 0.187 0.000 0.796 334 G HN 0.091 nan 8.290 nan 0.000 0.654 335 E N 0.258 120.578 120.200 0.200 0.000 2.150 335 E HA -0.026 4.320 4.350 -0.008 0.000 0.193 335 E C 2.260 179.011 176.600 0.252 0.000 0.985 335 E CA 2.056 58.594 56.400 0.230 0.000 0.814 335 E CB -0.090 29.714 29.700 0.174 0.000 0.752 335 E HN 0.584 nan 8.360 nan 0.000 0.466 336 K N -0.737 119.778 120.400 0.192 0.000 2.147 336 K HA -0.124 4.191 4.320 -0.008 0.000 0.205 336 K C 1.870 178.655 176.600 0.308 0.000 1.049 336 K CA 1.078 57.481 56.287 0.194 0.000 0.936 336 K CB -0.254 32.328 32.500 0.137 0.000 0.722 336 K HN 0.184 nan 8.250 nan 0.000 0.446 337 F N 2.039 122.077 119.950 0.147 0.000 2.206 337 F HA -0.071 4.452 4.527 -0.007 0.000 0.298 337 F C 2.433 178.356 175.800 0.205 0.000 1.090 337 F CA 1.079 59.160 58.000 0.135 0.000 1.323 337 F CB -0.089 38.959 39.000 0.080 0.000 1.028 337 F HN -0.157 nan 8.300 nan 0.000 0.492 338 R N -0.764 119.859 120.500 0.205 0.000 2.091 338 R HA -0.189 4.146 4.340 -0.008 0.000 0.238 338 R C 2.372 178.688 176.300 0.026 0.000 1.136 338 R CA 1.928 58.057 56.100 0.048 0.000 0.959 338 R CB -0.649 29.712 30.300 0.101 0.000 0.856 338 R HN 0.415 nan 8.270 nan 0.000 0.437 339 H N -1.153 117.973 119.070 0.093 0.000 2.389 339 H HA -0.150 4.402 4.556 -0.008 0.000 0.299 339 H C 1.900 177.310 175.328 0.136 0.000 1.081 339 H CA 1.551 57.703 56.048 0.173 0.000 1.345 339 H CB -0.115 29.804 29.762 0.262 0.000 1.393 339 H HN 0.247 nan 8.280 nan 0.000 0.520 340 F N 2.231 122.214 119.950 0.055 0.000 2.095 340 F HA -0.220 4.302 4.527 -0.007 0.000 0.298 340 F C 1.872 177.556 175.800 -0.192 0.000 1.104 340 F CA 1.792 59.754 58.000 -0.063 0.000 1.232 340 F CB -0.359 38.578 39.000 -0.104 0.000 0.987 340 F HN 0.036 nan 8.300 nan 0.000 0.475 341 N N 0.054 118.585 118.700 -0.281 0.000 2.216 341 N HA -0.081 4.654 4.740 -0.008 0.000 0.183 341 N C 1.988 177.258 175.510 -0.400 0.000 1.017 341 N CA 0.902 53.704 53.050 -0.413 0.000 0.861 341 N CB -0.345 37.891 38.487 -0.419 0.000 0.986 341 N HN 0.390 nan 8.380 nan 0.000 0.428 342 A N 1.031 123.648 122.820 -0.338 0.000 1.877 342 A HA -0.122 4.194 4.320 -0.008 0.000 0.216 342 A C 2.087 179.594 177.584 -0.129 0.000 1.186 342 A CA 1.080 52.961 52.037 -0.259 0.000 0.620 342 A CB -0.702 18.157 19.000 -0.235 0.000 0.822 342 A HN 0.259 nan 8.150 nan 0.000 0.443 343 L N 0.146 121.208 121.223 -0.269 0.000 2.093 343 L HA 0.031 4.366 4.340 -0.008 0.000 0.208 343 L C 2.348 178.994 176.870 -0.374 0.000 1.085 343 L CA 2.172 56.655 54.840 -0.596 0.000 0.755 343 L CB -1.119 40.665 42.059 -0.457 0.000 0.904 343 L HN 0.295 nan 8.230 nan 0.000 0.435 344 G N -0.964 107.586 108.800 -0.417 0.000 2.422 344 G HA2 -0.220 3.735 3.960 -0.008 0.000 0.218 344 G HA3 -0.220 3.735 3.960 -0.008 0.000 0.218 344 G C 1.516 176.295 174.900 -0.202 0.000 1.146 344 G CA 0.571 45.462 45.100 -0.349 0.000 0.769 344 G HN 0.581 nan 8.290 nan 0.000 0.547 345 G N -0.172 108.514 108.800 -0.191 0.000 2.408 345 G HA2 -0.233 3.722 3.960 -0.008 0.000 0.217 345 G HA3 -0.233 3.722 3.960 -0.008 0.000 0.217 345 G C 1.577 176.482 174.900 0.008 0.000 1.150 345 G CA 0.802 45.836 45.100 -0.111 0.000 0.776 345 G HN 0.427 nan 8.290 nan 0.000 0.542 346 W N 1.978 123.205 121.300 -0.122 0.000 2.342 346 W HA -0.092 4.565 4.660 -0.006 0.000 0.297 346 W C 2.222 178.681 176.519 -0.099 0.000 1.213 346 W CA 1.544 58.845 57.345 -0.074 0.000 1.251 346 W CB -0.451 28.901 29.460 -0.179 0.000 1.136 346 W HN 0.226 nan 8.180 nan 0.000 0.526 347 G N 0.400 109.216 108.800 0.028 0.000 2.422 347 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.218 347 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.218 347 G C 1.363 176.194 174.900 -0.115 0.000 1.146 347 G CA 0.832 45.906 45.100 -0.044 0.000 0.769 347 G HN 0.194 nan 8.290 nan 0.000 0.547 348 E N -0.064 120.066 120.200 -0.117 0.000 2.152 348 E HA -0.035 4.310 4.350 -0.008 0.000 0.192 348 E C 2.448 178.958 176.600 -0.149 0.000 0.983 348 E CA 0.322 56.652 56.400 -0.116 0.000 0.818 348 E CB -0.264 29.375 29.700 -0.102 0.000 0.758 348 E HN 0.400 nan 8.360 nan 0.000 0.467 349 L N 1.470 122.570 121.223 -0.205 0.000 2.056 349 L HA -0.171 4.164 4.340 -0.008 0.000 0.207 349 L C 2.147 178.829 176.870 -0.314 0.000 1.078 349 L CA 1.699 56.378 54.840 -0.268 0.000 0.749 349 L CB -0.437 41.376 42.059 -0.410 0.000 0.901 349 L HN 0.035 nan 8.230 nan 0.000 0.433 350 Q N -0.577 118.998 119.800 -0.374 0.000 2.061 350 Q HA -0.230 4.105 4.340 -0.008 0.000 0.204 350 Q C 1.970 177.872 176.000 -0.164 0.000 0.984 350 Q CA 1.895 57.539 55.803 -0.265 0.000 0.846 350 Q CB -0.253 28.374 28.738 -0.184 0.000 0.902 350 Q HN 0.563 nan 8.270 nan 0.000 0.421 351 N N -0.047 118.566 118.700 -0.146 0.000 2.120 351 N HA -0.105 4.630 4.740 -0.008 0.000 0.188 351 N C 1.826 177.250 175.510 -0.144 0.000 1.024 351 N CA 1.404 54.379 53.050 -0.125 0.000 0.852 351 N CB -0.372 38.049 38.487 -0.109 0.000 1.003 351 N HN 0.058 nan 8.380 nan 0.000 0.424 352 S N 0.140 115.753 115.700 -0.146 0.000 2.368 352 S HA -0.023 4.442 4.470 -0.008 0.000 0.224 352 S C 2.197 176.747 174.600 -0.083 0.000 1.029 352 S CA 0.611 58.717 58.200 -0.158 0.000 0.988 352 S CB -0.226 62.930 63.200 -0.074 0.000 0.838 352 S HN 0.083 nan 8.310 nan 0.000 0.462 353 V N 1.836 121.722 119.914 -0.047 0.000 2.427 353 V HA -0.133 3.982 4.120 -0.008 0.000 0.248 353 V C 2.344 178.431 176.094 -0.012 0.000 1.051 353 V CA 1.609 63.911 62.300 0.005 0.000 1.048 353 V CB -0.458 31.325 31.823 -0.067 0.000 0.666 353 V HN 0.410 nan 8.190 nan 0.000 0.456 354 K N -0.364 119.997 120.400 -0.065 0.000 2.103 354 K HA -0.138 4.178 4.320 -0.008 0.000 0.204 354 K C 2.175 178.728 176.600 -0.077 0.000 1.052 354 K CA 1.643 57.893 56.287 -0.061 0.000 0.945 354 K CB -0.149 32.308 32.500 -0.072 0.000 0.722 354 K HN 0.474 nan 8.250 nan 0.000 0.443 355 T N 0.486 114.953 114.554 -0.144 0.000 2.737 355 T HA -0.091 4.254 4.350 -0.008 0.000 0.265 355 T C 1.381 175.955 174.700 -0.210 0.000 1.038 355 T CA 1.266 63.231 62.100 -0.225 0.000 1.144 355 T CB -0.237 68.400 68.868 -0.385 0.000 0.866 355 T HN 0.111 nan 8.240 nan 0.000 0.434 356 F N 1.309 121.178 119.950 -0.135 0.000 2.293 356 F HA 0.338 4.861 4.527 -0.006 0.000 0.297 356 F C 1.777 177.503 175.800 -0.124 0.000 1.089 356 F CA 0.475 58.325 58.000 -0.250 0.000 1.377 356 F CB -0.675 38.127 39.000 -0.330 0.000 1.051 356 F HN 0.361 nan 8.300 nan 0.000 0.511 357 G N 0.424 109.298 108.800 0.124 0.000 2.784 357 G HA2 -0.149 3.806 3.960 -0.008 0.000 0.686 357 G HA3 -0.149 3.806 3.960 -0.008 0.000 0.686 357 G C 0.511 175.471 174.900 0.099 0.000 1.156 357 G CA -0.178 44.979 45.100 0.096 0.000 0.757 357 G HN 0.403 nan 8.290 nan 0.000 0.642 358 E N -0.347 119.880 120.200 0.045 0.000 2.418 358 E HA -0.059 4.287 4.350 -0.008 0.000 0.197 358 E C 1.674 178.284 176.600 0.018 0.000 1.026 358 E CA 1.493 57.905 56.400 0.020 0.000 0.862 358 E CB -0.052 29.644 29.700 -0.007 0.000 0.799 358 E HN 0.917 nan 8.360 nan 0.000 0.518 359 T N -2.719 111.852 114.554 0.028 0.000 3.054 359 T HA 0.053 4.398 4.350 -0.008 0.000 0.255 359 T C 0.237 174.931 174.700 -0.011 0.000 1.035 359 T CA -0.446 61.654 62.100 0.000 0.000 0.941 359 T CB -0.405 68.452 68.868 -0.017 0.000 1.026 359 T HN 0.253 nan 8.240 nan 0.000 0.533 360 H N 2.528 121.552 119.070 -0.077 0.000 2.848 360 H HA 0.233 4.788 4.556 -0.001 0.000 0.341 360 H C -1.662 173.540 175.328 -0.210 0.000 1.060 360 H CA -1.301 54.646 56.048 -0.169 0.000 1.444 360 H CB 1.209 30.872 29.762 -0.164 0.000 1.446 360 H HN -0.097 nan 8.280 nan 0.000 0.583 361 P HA -0.185 nan 4.420 nan 0.000 0.218 361 P C 0.510 177.851 177.300 0.068 0.000 1.148 361 P CA 1.135 64.094 63.100 -0.236 0.000 0.822 361 P CB 0.145 31.612 31.700 -0.387 0.000 0.784 362 F N -0.742 119.217 119.950 0.015 0.000 2.802 362 F HA 0.045 4.570 4.527 -0.003 0.000 0.300 362 F C 1.825 177.513 175.800 -0.186 0.000 1.168 362 F CA 0.750 58.633 58.000 -0.193 0.000 1.433 362 F CB -1.929 36.684 39.000 -0.645 0.000 1.115 362 F HN 0.038 nan 8.300 nan 0.000 0.582 363 T N -3.276 111.326 114.554 0.081 0.000 3.086 363 T HA 0.107 4.453 4.350 -0.008 0.000 0.250 363 T C 0.726 175.451 174.700 0.041 0.000 1.074 363 T CA -0.222 61.922 62.100 0.074 0.000 0.988 363 T CB -0.136 68.778 68.868 0.076 0.000 0.988 363 T HN -0.014 nan 8.240 nan 0.000 0.530 364 K N 0.557 120.990 120.400 0.056 0.000 2.258 364 K HA 0.321 4.636 4.320 -0.008 0.000 0.264 364 K C 0.789 177.401 176.600 0.020 0.000 1.007 364 K CA -0.550 55.759 56.287 0.037 0.000 0.941 364 K CB 1.056 33.604 32.500 0.080 0.000 0.966 364 K HN -0.045 nan 8.250 nan 0.000 0.480 365 L N 2.682 123.867 121.223 -0.064 0.000 2.023 365 L HA -0.028 4.308 4.340 -0.008 0.000 0.205 365 L C 0.242 177.059 176.870 -0.087 0.000 1.073 365 L CA 1.475 56.215 54.840 -0.166 0.000 0.745 365 L CB 0.365 42.157 42.059 -0.444 0.000 0.900 365 L HN 0.317 nan 8.230 nan 0.000 0.435 366 V N 1.826 121.698 119.914 -0.070 0.000 2.406 366 V HA 0.344 4.459 4.120 -0.008 0.000 0.272 366 V C 0.171 176.351 176.094 0.144 0.000 1.043 366 V CA -0.331 62.037 62.300 0.112 0.000 0.915 366 V CB 0.823 32.765 31.823 0.200 0.000 0.988 366 V HN 0.161 nan 8.190 nan 0.000 0.466 367 V N 1.350 121.334 119.914 0.117 0.000 3.177 367 V HA 0.751 4.866 4.120 -0.008 0.000 0.319 367 V C -0.641 175.509 176.094 0.092 0.000 1.125 367 V CA -0.800 61.572 62.300 0.121 0.000 1.029 367 V CB 2.194 34.088 31.823 0.118 0.000 1.119 367 V HN 0.720 nan 8.190 nan 0.000 0.452 368 D N 0.683 121.148 120.400 0.109 0.000 2.454 368 D HA 0.397 5.033 4.640 -0.008 0.000 0.247 368 D C 0.102 176.465 176.300 0.106 0.000 1.129 368 D CA -0.273 53.781 54.000 0.090 0.000 0.877 368 D CB 1.220 42.068 40.800 0.079 0.000 1.082 368 D HN 0.612 nan 8.370 nan 0.000 0.537 369 L N 2.561 123.837 121.223 0.089 0.000 2.653 369 L HA 0.149 4.484 4.340 -0.008 0.000 0.232 369 L C 0.595 177.533 176.870 0.113 0.000 1.169 369 L CA -0.001 54.888 54.840 0.081 0.000 0.951 369 L CB -0.063 42.029 42.059 0.055 0.000 1.181 369 L HN 0.266 nan 8.230 nan 0.000 0.460 370 T N 0.999 115.618 114.554 0.109 0.000 2.831 370 T HA -0.059 4.286 4.350 -0.008 0.000 0.291 370 T C 0.506 175.289 174.700 0.137 0.000 0.981 370 T CA 0.186 62.353 62.100 0.112 0.000 1.174 370 T CB 0.151 69.068 68.868 0.081 0.000 0.929 370 T HN 0.313 nan 8.240 nan 0.000 0.532 371 D N 0.385 120.900 120.400 0.191 0.000 3.059 371 D HA -0.147 4.489 4.640 -0.008 0.000 0.220 371 D C -0.195 176.255 176.300 0.250 0.000 1.169 371 D CA 0.781 54.928 54.000 0.245 0.000 0.902 371 D CB -0.693 40.193 40.800 0.143 0.000 1.116 371 D HN 0.412 nan 8.370 nan 0.000 0.417 372 I N 1.103 121.775 120.570 0.170 0.000 2.378 372 I HA 0.162 4.327 4.170 -0.008 0.000 0.291 372 I C 0.635 176.513 176.117 -0.397 0.000 0.992 372 I CA -0.774 60.514 61.300 -0.021 0.000 1.154 372 I CB 1.646 39.685 38.000 0.064 0.000 1.315 372 I HN -0.204 nan 8.210 nan 0.000 0.448 373 D N 9.024 128.915 120.400 -0.848 0.000 2.401 373 D HA 0.111 4.746 4.640 -0.008 0.000 0.254 373 D C -1.713 174.274 176.300 -0.521 0.000 1.192 373 D CA -1.628 51.688 54.000 -1.141 0.000 0.885 373 D CB 1.689 41.954 40.800 -0.892 0.000 1.147 373 D HN 0.198 nan 8.370 nan 0.000 0.478 374 P HA -0.106 nan 4.420 nan 0.000 0.216 374 P C 0.670 177.791 177.300 -0.298 0.000 1.150 374 P CA 0.793 63.661 63.100 -0.386 0.000 0.837 374 P CB 0.314 31.710 31.700 -0.507 0.000 0.786 375 D N -1.122 119.135 120.400 -0.240 0.000 2.218 375 D HA -0.088 4.547 4.640 -0.008 0.000 0.204 375 D C 1.862 178.138 176.300 -0.040 0.000 0.976 375 D CA 0.904 54.841 54.000 -0.104 0.000 0.853 375 D CB -0.428 40.353 40.800 -0.032 0.000 0.939 375 D HN 0.048 nan 8.370 nan 0.000 0.481 376 V N 0.829 120.686 119.914 -0.095 0.000 2.649 376 V HA -0.053 4.062 4.120 -0.008 0.000 0.248 376 V C 2.363 178.450 176.094 -0.012 0.000 1.054 376 V CA 1.392 63.686 62.300 -0.010 0.000 1.073 376 V CB -0.337 31.484 31.823 -0.004 0.000 0.699 376 V HN 0.154 nan 8.190 nan 0.000 0.463 377 A N -1.209 121.439 122.820 -0.286 0.000 2.067 377 A HA -0.049 4.266 4.320 -0.008 0.000 0.217 377 A C 1.170 178.598 177.584 -0.259 0.000 1.156 377 A CA 0.142 51.729 52.037 -0.749 0.000 0.683 377 A CB -0.495 17.805 19.000 -1.167 0.000 0.808 377 A HN 0.537 nan 8.150 nan 0.000 0.455 378 Y N 2.172 122.371 120.300 -0.169 0.000 2.805 378 Y HA 0.268 4.813 4.550 -0.009 0.000 0.331 378 Y C 0.678 176.660 175.900 0.137 0.000 1.241 378 Y CA 0.540 58.627 58.100 -0.022 0.000 1.546 378 Y CB 0.254 38.700 38.460 -0.023 0.000 1.248 378 Y HN 0.383 nan 8.280 nan 0.000 0.559 379 S N 1.556 116.986 115.700 -0.449 0.000 2.703 379 S HA 0.296 4.761 4.470 -0.008 0.000 0.273 379 S C 0.075 174.517 174.600 -0.263 0.000 1.178 379 S CA -0.373 57.678 58.200 -0.248 0.000 0.838 379 S CB 0.945 64.284 63.200 0.230 0.000 1.178 379 S HN 0.461 nan 8.310 nan 0.000 0.494 380 S N 0.312 115.922 115.700 -0.149 0.000 2.555 380 S HA 0.019 4.484 4.470 -0.008 0.000 0.230 380 S C 1.723 176.407 174.600 0.139 0.000 0.978 380 S CA 0.733 58.882 58.200 -0.085 0.000 0.934 380 S CB -0.534 62.581 63.200 -0.141 0.000 0.766 380 S HN 0.538 nan 8.310 nan 0.000 0.533 381 V N 3.266 123.272 119.914 0.152 0.000 2.261 381 V HA -0.126 3.989 4.120 -0.008 0.000 0.246 381 V C -0.345 175.861 176.094 0.187 0.000 1.047 381 V CA 1.756 64.148 62.300 0.153 0.000 1.015 381 V CB -1.606 30.314 31.823 0.161 0.000 0.642 381 V HN 0.364 nan 8.190 nan 0.000 0.446 382 P HA -0.167 nan 4.420 nan 0.000 0.218 382 P C 1.256 178.633 177.300 0.128 0.000 1.149 382 P CA 1.680 64.894 63.100 0.190 0.000 0.817 382 P CB -0.113 31.712 31.700 0.208 0.000 0.785 383 Y N 0.921 121.270 120.300 0.083 0.000 2.089 383 Y HA -0.134 4.410 4.550 -0.009 0.000 0.282 383 Y C 2.693 178.691 175.900 0.163 0.000 1.139 383 Y CA 1.504 59.667 58.100 0.104 0.000 1.123 383 Y CB -0.969 37.526 38.460 0.058 0.000 0.980 383 Y HN -0.050 nan 8.280 nan 0.000 0.493 384 E N -0.274 120.108 120.200 0.303 0.000 2.216 384 E HA -0.061 4.285 4.350 -0.008 0.000 0.192 384 E C 1.975 178.737 176.600 0.269 0.000 0.973 384 E CA 0.385 56.939 56.400 0.256 0.000 0.851 384 E CB -0.104 29.663 29.700 0.111 0.000 0.804 384 E HN 0.382 nan 8.360 nan 0.000 0.477 385 K N 0.733 121.239 120.400 0.178 0.000 2.103 385 K HA -0.057 4.258 4.320 -0.008 0.000 0.204 385 K C 2.064 178.786 176.600 0.202 0.000 1.052 385 K CA 1.184 57.567 56.287 0.161 0.000 0.945 385 K CB -0.174 32.359 32.500 0.054 0.000 0.722 385 K HN 0.109 nan 8.250 nan 0.000 0.443 386 G N 0.603 109.525 108.800 0.202 0.000 2.421 386 G HA2 -0.281 3.674 3.960 -0.008 0.000 0.216 386 G HA3 -0.281 3.674 3.960 -0.008 0.000 0.216 386 G C 1.312 176.371 174.900 0.265 0.000 1.171 386 G CA 0.651 45.902 45.100 0.251 0.000 0.775 386 G HN 0.391 nan 8.290 nan 0.000 0.543 387 F N 2.502 122.570 119.950 0.197 0.000 2.134 387 F HA 0.045 4.567 4.527 -0.009 0.000 0.299 387 F C 2.775 178.735 175.800 0.266 0.000 1.097 387 F CA 1.432 59.565 58.000 0.221 0.000 1.264 387 F CB -0.287 38.831 39.000 0.197 0.000 1.001 387 F HN 0.227 nan 8.300 nan 0.000 0.479 388 A N 0.500 123.535 122.820 0.357 0.000 1.908 388 A HA -0.198 4.118 4.320 -0.008 0.000 0.218 388 A C 2.123 179.817 177.584 0.184 0.000 1.181 388 A CA 1.824 54.115 52.037 0.423 0.000 0.627 388 A CB -1.310 18.125 19.000 0.725 0.000 0.818 388 A HN 0.534 nan 8.150 nan 0.000 0.445 389 L N -0.202 121.024 121.223 0.005 0.000 2.017 389 L HA -0.103 4.233 4.340 -0.008 0.000 0.208 389 L C 2.249 178.896 176.870 -0.372 0.000 1.073 389 L CA 1.741 56.251 54.840 -0.550 0.000 0.745 389 L CB -0.498 41.282 42.059 -0.464 0.000 0.894 389 L HN 0.408 nan 8.230 nan 0.000 0.432 390 L N -1.903 119.171 121.223 -0.249 0.000 2.093 390 L HA -0.189 4.146 4.340 -0.008 0.000 0.208 390 L C 2.438 178.967 176.870 -0.570 0.000 1.085 390 L CA 1.052 55.664 54.840 -0.380 0.000 0.755 390 L CB -0.696 41.177 42.059 -0.310 0.000 0.904 390 L HN 0.276 nan 8.230 nan 0.000 0.435 391 F N 0.024 119.606 119.950 -0.613 0.000 2.146 391 F HA -0.254 4.268 4.527 -0.008 0.000 0.298 391 F C 2.571 178.119 175.800 -0.420 0.000 1.096 391 F CA 1.131 58.809 58.000 -0.535 0.000 1.275 391 F CB -0.559 38.029 39.000 -0.687 0.000 1.008 391 F HN 0.038 nan 8.300 nan 0.000 0.480 392 Y N 0.605 120.630 120.300 -0.457 0.000 2.181 392 Y HA -0.207 4.339 4.550 -0.007 0.000 0.288 392 Y C 1.997 177.545 175.900 -0.587 0.000 1.146 392 Y CA 1.875 59.675 58.100 -0.500 0.000 1.164 392 Y CB -0.789 37.416 38.460 -0.426 0.000 0.982 392 Y HN 0.106 nan 8.280 nan 0.000 0.515 393 L N 0.295 120.993 121.223 -0.874 0.000 2.093 393 L HA -0.180 4.155 4.340 -0.008 0.000 0.208 393 L C 2.612 178.883 176.870 -0.999 0.000 1.085 393 L CA 1.804 56.053 54.840 -0.985 0.000 0.755 393 L CB -0.709 40.894 42.059 -0.760 0.000 0.904 393 L HN 0.323 nan 8.230 nan 0.000 0.435 394 E N 0.436 119.952 120.200 -1.140 0.000 2.070 394 E HA -0.299 4.046 4.350 -0.008 0.000 0.197 394 E C 2.085 178.407 176.600 -0.463 0.000 1.004 394 E CA 1.666 57.624 56.400 -0.737 0.000 0.805 394 E CB -0.015 29.446 29.700 -0.399 0.000 0.744 394 E HN 0.569 nan 8.360 nan 0.000 0.451 395 Q N -0.214 119.253 119.800 -0.555 0.000 2.230 395 Q HA -0.094 4.241 4.340 -0.008 0.000 0.202 395 Q C 2.226 177.989 176.000 -0.396 0.000 0.963 395 Q CA 0.646 56.185 55.803 -0.440 0.000 0.866 395 Q CB 0.046 28.481 28.738 -0.506 0.000 0.931 395 Q HN 0.269 nan 8.270 nan 0.000 0.452 396 L N 0.047 120.947 121.223 -0.538 0.000 2.179 396 L HA -0.044 4.291 4.340 -0.008 0.000 0.208 396 L C 1.519 178.145 176.870 -0.406 0.000 1.096 396 L CA 1.514 56.049 54.840 -0.508 0.000 0.779 396 L CB 0.134 41.736 42.059 -0.761 0.000 0.922 396 L HN 0.146 nan 8.230 nan 0.000 0.443 397 L N -1.420 119.544 121.223 -0.431 0.000 2.640 397 L HA 0.383 4.719 4.340 -0.008 0.000 0.230 397 L C 1.167 177.925 176.870 -0.187 0.000 1.123 397 L CA 0.555 55.158 54.840 -0.395 0.000 0.900 397 L CB 0.069 41.721 42.059 -0.678 0.000 1.146 397 L HN 0.431 nan 8.230 nan 0.000 0.484 398 G N -0.885 107.833 108.800 -0.138 0.000 2.227 398 G HA2 0.099 4.054 3.960 -0.008 0.000 0.168 398 G HA3 0.099 4.054 3.960 -0.008 0.000 0.168 398 G C 0.435 175.340 174.900 0.008 0.000 1.006 398 G CA -0.334 44.740 45.100 -0.044 0.000 0.684 398 G HN 0.700 nan 8.290 nan 0.000 0.489 399 G N -0.696 108.105 108.800 0.003 0.000 2.462 399 G HA2 0.391 4.346 3.960 -0.008 0.000 0.685 399 G HA3 0.391 4.346 3.960 -0.008 0.000 0.685 399 G C -1.188 173.824 174.900 0.186 0.000 1.295 399 G CA 0.270 45.407 45.100 0.062 0.000 0.941 399 G HN 0.543 nan 8.290 nan 0.000 0.554 400 P HA -0.041 nan 4.420 nan 0.000 0.216 400 P C 1.319 178.797 177.300 0.298 0.000 1.153 400 P CA 1.816 65.148 63.100 0.387 0.000 0.848 400 P CB 0.066 32.037 31.700 0.451 0.000 0.787 401 E N -0.159 120.163 120.200 0.203 0.000 2.077 401 E HA -0.120 4.226 4.350 -0.008 0.000 0.193 401 E C 2.277 178.993 176.600 0.193 0.000 0.989 401 E CA 0.915 57.406 56.400 0.151 0.000 0.800 401 E CB -0.491 29.277 29.700 0.113 0.000 0.746 401 E HN 0.287 nan 8.360 nan 0.000 0.452 402 I N 0.202 120.914 120.570 0.235 0.000 2.252 402 I HA -0.241 3.924 4.170 -0.008 0.000 0.245 402 I C 2.237 178.614 176.117 0.434 0.000 1.102 402 I CA 0.947 62.431 61.300 0.306 0.000 1.385 402 I CB -0.137 38.038 38.000 0.292 0.000 1.064 402 I HN 0.037 nan 8.210 nan 0.000 0.414 403 F N 0.938 121.065 119.950 0.295 0.000 2.293 403 F HA -0.042 4.480 4.527 -0.008 0.000 0.297 403 F C 2.150 178.159 175.800 0.350 0.000 1.089 403 F CA 1.145 59.360 58.000 0.359 0.000 1.377 403 F CB -0.073 39.077 39.000 0.249 0.000 1.051 403 F HN -0.114 nan 8.300 nan 0.000 0.511 404 L N -0.702 120.728 121.223 0.345 0.000 2.191 404 L HA -0.132 4.203 4.340 -0.008 0.000 0.212 404 L C 2.661 179.556 176.870 0.042 0.000 1.103 404 L CA 1.145 56.088 54.840 0.171 0.000 0.769 404 L CB -1.265 40.819 42.059 0.042 0.000 0.908 404 L HN 0.272 nan 8.230 nan 0.000 0.438 405 G N -0.191 108.656 108.800 0.078 0.000 2.418 405 G HA2 -0.342 3.613 3.960 -0.008 0.000 0.217 405 G HA3 -0.342 3.613 3.960 -0.008 0.000 0.217 405 G C 1.448 176.228 174.900 -0.200 0.000 1.158 405 G CA 0.618 45.744 45.100 0.042 0.000 0.771 405 G HN 0.354 nan 8.290 nan 0.000 0.545 406 F N 0.876 120.484 119.950 -0.569 0.000 2.134 406 F HA 0.039 4.561 4.527 -0.008 0.000 0.299 406 F C 2.268 177.749 175.800 -0.533 0.000 1.097 406 F CA 0.764 58.080 58.000 -1.141 0.000 1.264 406 F CB -0.204 38.164 39.000 -1.053 0.000 1.001 406 F HN -0.001 nan 8.300 nan 0.000 0.479 407 L N 1.059 121.973 121.223 -0.516 0.000 2.012 407 L HA -0.249 4.087 4.340 -0.008 0.000 0.210 407 L C 2.485 179.228 176.870 -0.211 0.000 1.073 407 L CA 2.170 56.818 54.840 -0.320 0.000 0.748 407 L CB -1.292 40.784 42.059 0.029 0.000 0.891 407 L HN 0.304 nan 8.230 nan 0.000 0.431 408 K N -0.639 119.650 120.400 -0.185 0.000 2.097 408 K HA -0.111 4.204 4.320 -0.008 0.000 0.205 408 K C 2.001 178.508 176.600 -0.155 0.000 1.050 408 K CA 1.140 57.343 56.287 -0.140 0.000 0.938 408 K CB 0.115 32.553 32.500 -0.103 0.000 0.718 408 K HN 0.261 nan 8.250 nan 0.000 0.442 409 A N 0.365 123.066 122.820 -0.197 0.000 1.930 409 A HA -0.176 4.140 4.320 -0.008 0.000 0.217 409 A C 1.999 179.454 177.584 -0.215 0.000 1.175 409 A CA 1.223 53.195 52.037 -0.109 0.000 0.627 409 A CB -0.750 18.258 19.000 0.013 0.000 0.815 409 A HN 0.602 nan 8.150 nan 0.000 0.443 410 Y N 0.462 120.479 120.300 -0.472 0.000 2.200 410 Y HA -0.137 4.408 4.550 -0.008 0.000 0.290 410 Y C 2.189 177.857 175.900 -0.387 0.000 1.137 410 Y CA 1.870 59.621 58.100 -0.581 0.000 1.163 410 Y CB -0.411 37.631 38.460 -0.697 0.000 0.988 410 Y HN 0.038 nan 8.280 nan 0.000 0.518 411 V N 0.960 120.662 119.914 -0.353 0.000 2.343 411 V HA -0.302 3.814 4.120 -0.008 0.000 0.247 411 V C 2.394 178.299 176.094 -0.315 0.000 1.051 411 V CA 2.314 64.421 62.300 -0.321 0.000 1.036 411 V CB -0.714 31.079 31.823 -0.051 0.000 0.654 411 V HN 0.507 nan 8.190 nan 0.000 0.451 412 E N 0.205 120.244 120.200 -0.270 0.000 2.085 412 E HA -0.317 4.028 4.350 -0.008 0.000 0.194 412 E C 2.197 178.579 176.600 -0.362 0.000 0.994 412 E CA 1.754 58.009 56.400 -0.242 0.000 0.801 412 E CB -0.056 29.544 29.700 -0.168 0.000 0.743 412 E HN 0.498 nan 8.360 nan 0.000 0.453 413 K N -0.374 119.668 120.400 -0.596 0.000 2.057 413 K HA -0.113 4.202 4.320 -0.008 0.000 0.206 413 K C 0.973 177.047 176.600 -0.877 0.000 1.050 413 K CA 1.379 57.131 56.287 -0.891 0.000 0.935 413 K CB -0.112 31.407 32.500 -1.635 0.000 0.715 413 K HN 0.111 nan 8.250 nan 0.000 0.439 414 F N 0.665 120.308 119.950 -0.511 0.000 2.639 414 F HA 0.379 4.902 4.527 -0.007 0.000 0.302 414 F C 0.151 175.734 175.800 -0.361 0.000 1.097 414 F CA -0.529 57.215 58.000 -0.426 0.000 1.294 414 F CB 0.066 38.740 39.000 -0.544 0.000 1.027 414 F HN -0.256 nan 8.300 nan 0.000 0.550 415 S N 0.163 115.707 115.700 -0.260 0.000 2.563 415 S HA -0.021 4.444 4.470 -0.008 0.000 0.294 415 S C 0.066 174.485 174.600 -0.303 0.000 1.279 415 S CA 0.358 58.303 58.200 -0.426 0.000 1.069 415 S CB -0.385 62.468 63.200 -0.579 0.000 0.828 415 S HN 0.532 nan 8.310 nan 0.000 0.497 416 Y N -0.664 119.592 120.300 -0.075 0.000 4.729 416 Y HA -0.272 4.274 4.550 -0.008 0.000 0.239 416 Y C 0.429 176.303 175.900 -0.044 0.000 1.043 416 Y CA 0.630 58.689 58.100 -0.068 0.000 2.045 416 Y CB -1.854 36.548 38.460 -0.096 0.000 1.599 416 Y HN 0.482 nan 8.280 nan 0.000 0.655 417 K N -0.108 120.316 120.400 0.040 0.000 2.352 417 K HA 0.805 5.121 4.320 -0.008 0.000 0.240 417 K C -0.389 176.195 176.600 -0.027 0.000 1.017 417 K CA -0.905 55.400 56.287 0.029 0.000 0.851 417 K CB 2.053 34.593 32.500 0.066 0.000 1.261 417 K HN -0.099 nan 8.250 nan 0.000 0.451 418 S N 1.273 116.945 115.700 -0.048 0.000 2.502 418 S HA 0.605 5.070 4.470 -0.008 0.000 0.304 418 S C -0.569 173.942 174.600 -0.148 0.000 1.097 418 S CA -0.866 57.276 58.200 -0.095 0.000 1.045 418 S CB 0.593 63.747 63.200 -0.077 0.000 1.019 418 S HN 0.572 nan 8.310 nan 0.000 0.481 419 I N -0.356 120.081 120.570 -0.222 0.000 3.074 419 I HA 0.809 4.975 4.170 -0.008 0.000 0.310 419 I C -0.136 175.795 176.117 -0.310 0.000 1.153 419 I CA -0.929 60.185 61.300 -0.310 0.000 0.993 419 I CB 2.211 39.862 38.000 -0.582 0.000 1.237 419 I HN 0.585 nan 8.210 nan 0.000 0.443 420 T N -1.200 113.149 114.554 -0.343 0.000 2.923 420 T HA 0.344 4.690 4.350 -0.008 0.000 0.281 420 T C 0.868 175.404 174.700 -0.274 0.000 0.995 420 T CA -0.148 61.615 62.100 -0.561 0.000 0.985 420 T CB 1.405 69.940 68.868 -0.555 0.000 1.114 420 T HN 0.690 nan 8.240 nan 0.000 0.548 421 T N 0.812 115.264 114.554 -0.169 0.000 2.759 421 T HA -0.108 4.238 4.350 -0.008 0.000 0.269 421 T C 1.409 176.325 174.700 0.361 0.000 1.042 421 T CA 1.562 63.860 62.100 0.331 0.000 1.140 421 T CB -0.544 68.722 68.868 0.663 0.000 0.864 421 T HN 0.634 nan 8.240 nan 0.000 0.455 422 D N 1.002 121.521 120.400 0.199 0.000 2.178 422 D HA -0.072 4.563 4.640 -0.008 0.000 0.202 422 D C 1.961 178.344 176.300 0.138 0.000 0.974 422 D CA 0.768 54.866 54.000 0.163 0.000 0.841 422 D CB -0.321 40.544 40.800 0.109 0.000 0.953 422 D HN 0.322 nan 8.370 nan 0.000 0.478 423 D N -0.245 120.200 120.400 0.075 0.000 2.104 423 D HA -0.162 4.473 4.640 -0.008 0.000 0.194 423 D C 1.885 178.304 176.300 0.199 0.000 0.994 423 D CA 0.641 54.672 54.000 0.053 0.000 0.830 423 D CB -0.448 40.223 40.800 -0.215 0.000 0.959 423 D HN 0.361 nan 8.370 nan 0.000 0.452 424 W N 2.273 123.592 121.300 0.031 0.000 2.355 424 W HA -0.143 4.512 4.660 -0.008 0.000 0.309 424 W C 2.317 179.047 176.519 0.352 0.000 1.206 424 W CA 1.589 59.079 57.345 0.242 0.000 1.284 424 W CB -0.114 29.443 29.460 0.161 0.000 1.145 424 W HN -0.166 nan 8.180 nan 0.000 0.502 425 K N 0.109 120.670 120.400 0.268 0.000 2.097 425 K HA -0.198 4.117 4.320 -0.008 0.000 0.205 425 K C 1.593 178.164 176.600 -0.048 0.000 1.050 425 K CA 1.942 58.145 56.287 -0.140 0.000 0.938 425 K CB -0.432 32.028 32.500 -0.067 0.000 0.718 425 K HN 0.022 nan 8.250 nan 0.000 0.442 426 D N 0.132 120.578 120.400 0.076 0.000 2.117 426 D HA -0.171 4.464 4.640 -0.008 0.000 0.197 426 D C 1.559 177.990 176.300 0.218 0.000 0.987 426 D CA 0.940 55.008 54.000 0.113 0.000 0.829 426 D CB -0.220 40.666 40.800 0.144 0.000 0.961 426 D HN 0.207 nan 8.370 nan 0.000 0.460 427 F N 0.894 120.950 119.950 0.177 0.000 2.206 427 F HA -0.036 4.486 4.527 -0.008 0.000 0.298 427 F C 2.034 177.962 175.800 0.213 0.000 1.090 427 F CA 0.389 58.529 58.000 0.234 0.000 1.323 427 F CB -0.293 38.954 39.000 0.413 0.000 1.028 427 F HN -0.121 nan 8.300 nan 0.000 0.492 428 L N -0.334 120.876 121.223 -0.021 0.000 2.013 428 L HA -0.273 4.062 4.340 -0.008 0.000 0.212 428 L C 2.069 178.858 176.870 -0.134 0.000 1.073 428 L CA 2.042 56.698 54.840 -0.306 0.000 0.753 428 L CB -1.211 40.429 42.059 -0.699 0.000 0.890 428 L HN 0.191 nan 8.230 nan 0.000 0.432 429 Y N -1.035 119.174 120.300 -0.153 0.000 2.242 429 Y HA -0.212 4.333 4.550 -0.008 0.000 0.291 429 Y C 3.027 178.880 175.900 -0.079 0.000 1.137 429 Y CA 1.778 59.837 58.100 -0.068 0.000 1.181 429 Y CB -0.678 37.741 38.460 -0.068 0.000 0.989 429 Y HN 0.335 nan 8.280 nan 0.000 0.527 430 S N -0.893 114.818 115.700 0.018 0.000 2.348 430 S HA -0.298 4.167 4.470 -0.008 0.000 0.221 430 S C 2.032 176.499 174.600 -0.221 0.000 1.033 430 S CA 1.559 59.713 58.200 -0.077 0.000 1.010 430 S CB -0.772 62.392 63.200 -0.060 0.000 0.891 430 S HN 0.559 nan 8.310 nan 0.000 0.442 431 Y N 0.570 120.527 120.300 -0.571 0.000 2.181 431 Y HA 0.027 4.573 4.550 -0.008 0.000 0.288 431 Y C 0.777 176.309 175.900 -0.613 0.000 1.146 431 Y CA 1.543 59.227 58.100 -0.694 0.000 1.164 431 Y CB -0.179 37.721 38.460 -0.935 0.000 0.982 431 Y HN 0.318 nan 8.280 nan 0.000 0.515 432 F N 2.015 121.863 119.950 -0.170 0.000 2.986 432 F HA 0.205 4.727 4.527 -0.008 0.000 0.297 432 F C 1.682 177.362 175.800 -0.200 0.000 1.210 432 F CA -0.620 57.260 58.000 -0.200 0.000 1.346 432 F CB -0.379 38.500 39.000 -0.202 0.000 1.007 432 F HN 0.037 nan 8.300 nan 0.000 0.512 433 K N -0.391 119.964 120.400 -0.075 0.000 2.160 433 K HA -0.204 4.112 4.320 -0.008 0.000 0.206 433 K C 0.405 176.990 176.600 -0.025 0.000 1.047 433 K CA 1.964 58.228 56.287 -0.039 0.000 0.930 433 K CB -0.211 32.252 32.500 -0.062 0.000 0.720 433 K HN 0.224 nan 8.250 nan 0.000 0.450 434 D N 1.096 121.474 120.400 -0.037 0.000 2.349 434 D HA 0.024 4.660 4.640 -0.008 0.000 0.224 434 D C 0.335 176.626 176.300 -0.016 0.000 1.029 434 D CA 0.595 54.580 54.000 -0.026 0.000 0.879 434 D CB 0.338 41.115 40.800 -0.039 0.000 0.906 434 D HN 0.374 nan 8.370 nan 0.000 0.528 435 K N 0.460 120.852 120.400 -0.013 0.000 2.706 435 K HA 0.086 4.401 4.320 -0.008 0.000 0.203 435 K C 1.555 178.093 176.600 -0.103 0.000 1.102 435 K CA 0.027 56.281 56.287 -0.055 0.000 1.058 435 K CB 1.460 33.916 32.500 -0.074 0.000 0.779 435 K HN -0.090 nan 8.250 nan 0.000 0.483 436 V N -2.175 117.700 119.914 -0.066 0.000 2.515 436 V HA -0.200 3.915 4.120 -0.008 0.000 0.250 436 V C 1.428 177.518 176.094 -0.006 0.000 1.058 436 V CA 1.570 63.832 62.300 -0.064 0.000 1.064 436 V CB -0.225 31.643 31.823 0.075 0.000 0.675 436 V HN 0.138 nan 8.190 nan 0.000 0.461 437 D N 0.909 121.307 120.400 -0.004 0.000 2.144 437 D HA -0.097 4.538 4.640 -0.008 0.000 0.199 437 D C 2.242 178.527 176.300 -0.024 0.000 0.984 437 D CA 1.637 55.642 54.000 0.008 0.000 0.834 437 D CB -0.200 40.599 40.800 -0.001 0.000 0.955 437 D HN 0.470 nan 8.370 nan 0.000 0.465 438 V N 0.912 120.778 119.914 -0.080 0.000 2.379 438 V HA -0.167 3.948 4.120 -0.008 0.000 0.245 438 V C 2.614 178.612 176.094 -0.160 0.000 1.044 438 V CA 0.937 63.157 62.300 -0.133 0.000 1.036 438 V CB -0.382 31.326 31.823 -0.192 0.000 0.664 438 V HN 0.203 nan 8.190 nan 0.000 0.453 439 L N 0.163 121.278 121.223 -0.180 0.000 2.083 439 L HA -0.183 4.152 4.340 -0.008 0.000 0.209 439 L C 2.051 179.000 176.870 0.131 0.000 1.083 439 L CA 1.856 56.604 54.840 -0.153 0.000 0.752 439 L CB -0.741 41.019 42.059 -0.498 0.000 0.899 439 L HN 0.446 nan 8.230 nan 0.000 0.433 440 N N -0.685 118.122 118.700 0.178 0.000 2.550 440 N HA -0.134 4.601 4.740 -0.008 0.000 0.186 440 N C 1.521 177.115 175.510 0.141 0.000 1.110 440 N CA 0.229 53.448 53.050 0.283 0.000 0.912 440 N CB 0.115 38.743 38.487 0.235 0.000 0.968 440 N HN 0.440 nan 8.380 nan 0.000 0.448 441 Q N 0.150 119.971 119.800 0.035 0.000 2.398 441 Q HA 0.082 4.418 4.340 -0.008 0.000 0.204 441 Q C 0.382 176.366 176.000 -0.028 0.000 0.932 441 Q CA 0.121 55.926 55.803 0.003 0.000 0.916 441 Q CB 0.612 29.336 28.738 -0.023 0.000 1.024 441 Q HN 0.162 nan 8.270 nan 0.000 0.504 442 V N 1.637 121.460 119.914 -0.152 0.000 2.686 442 V HA 0.026 4.142 4.120 -0.008 0.000 0.295 442 V C -0.256 175.681 176.094 -0.263 0.000 1.055 442 V CA -0.338 61.809 62.300 -0.255 0.000 1.050 442 V CB 1.351 32.752 31.823 -0.703 0.000 0.984 442 V HN 0.097 nan 8.190 nan 0.000 0.482 443 D N 5.805 126.197 120.400 -0.014 0.000 2.508 443 D HA 0.071 4.707 4.640 -0.008 0.000 0.224 443 D C 0.709 177.124 176.300 0.191 0.000 1.171 443 D CA 0.092 54.147 54.000 0.091 0.000 1.006 443 D CB -0.159 40.690 40.800 0.082 0.000 1.073 443 D HN 0.731 nan 8.370 nan 0.000 0.513 444 W N 2.083 123.545 121.300 0.270 0.000 2.338 444 W HA -0.167 4.487 4.660 -0.010 0.000 0.304 444 W C 2.379 179.029 176.519 0.218 0.000 1.212 444 W CA 0.394 57.891 57.345 0.253 0.000 1.264 444 W CB -0.192 29.407 29.460 0.233 0.000 1.142 444 W HN 0.378 nan 8.180 nan 0.000 0.512 445 N N 0.693 119.661 118.700 0.446 0.000 2.166 445 N HA -0.167 4.568 4.740 -0.008 0.000 0.186 445 N C 1.717 177.388 175.510 0.268 0.000 1.019 445 N CA 1.738 55.028 53.050 0.401 0.000 0.856 445 N CB -0.221 38.451 38.487 0.309 0.000 0.993 445 N HN 0.155 nan 8.380 nan 0.000 0.426 446 A N 0.206 123.128 122.820 0.171 0.000 1.873 446 A HA -0.097 4.218 4.320 -0.008 0.000 0.215 446 A C 2.013 179.586 177.584 -0.018 0.000 1.186 446 A CA 0.895 52.950 52.037 0.030 0.000 0.616 446 A CB -1.261 17.693 19.000 -0.076 0.000 0.823 446 A HN 0.496 nan 8.150 nan 0.000 0.442 447 W N 0.045 121.311 121.300 -0.057 0.000 2.358 447 W HA -0.079 4.577 4.660 -0.007 0.000 0.303 447 W C 2.070 178.465 176.519 -0.206 0.000 1.208 447 W CA 1.365 58.635 57.345 -0.124 0.000 1.274 447 W CB -0.193 29.194 29.460 -0.122 0.000 1.138 447 W HN 0.218 nan 8.180 nan 0.000 0.515 448 L N -2.494 118.725 121.223 -0.006 0.000 2.249 448 L HA -0.058 4.277 4.340 -0.008 0.000 0.207 448 L C 1.175 177.728 176.870 -0.529 0.000 1.090 448 L CA 0.861 55.434 54.840 -0.446 0.000 0.802 448 L CB -0.399 41.188 42.059 -0.787 0.000 0.947 448 L HN 0.012 nan 8.230 nan 0.000 0.453 449 Y N -1.614 118.742 120.300 0.093 0.000 2.471 449 Y HA 0.266 4.812 4.550 -0.007 0.000 0.249 449 Y C 1.020 176.939 175.900 0.032 0.000 1.116 449 Y CA -0.735 57.405 58.100 0.066 0.000 1.240 449 Y CB 0.319 38.833 38.460 0.089 0.000 1.251 449 Y HN -0.140 nan 8.280 nan 0.000 0.527 450 S N 3.610 119.377 115.700 0.112 0.000 2.585 450 S HA 0.355 4.821 4.470 -0.008 0.000 0.277 450 S C -2.438 172.160 174.600 -0.004 0.000 1.241 450 S CA -1.263 56.963 58.200 0.044 0.000 1.041 450 S CB 1.099 64.301 63.200 0.004 0.000 0.987 450 S HN -0.043 nan 8.310 nan 0.000 0.512 451 P HA 0.428 nan 4.420 nan 0.000 0.273 451 P C 0.469 177.740 177.300 -0.048 0.000 1.250 451 P CA 0.234 63.324 63.100 -0.016 0.000 0.793 451 P CB 0.132 31.826 31.700 -0.009 0.000 1.011 452 G N -0.589 108.184 108.800 -0.043 0.000 2.660 452 G HA2 -0.154 3.802 3.960 -0.008 0.000 0.247 452 G HA3 -0.154 3.802 3.960 -0.008 0.000 0.247 452 G C -0.799 174.020 174.900 -0.135 0.000 1.328 452 G CA -0.675 44.383 45.100 -0.071 0.000 0.884 452 G HN 0.558 nan 8.290 nan 0.000 0.531 453 L N 1.498 122.626 121.223 -0.159 0.000 2.467 453 L HA 0.301 4.637 4.340 -0.008 0.000 0.270 453 L C -1.324 175.381 176.870 -0.275 0.000 1.205 453 L CA -1.282 53.415 54.840 -0.239 0.000 0.828 453 L CB 0.208 42.164 42.059 -0.172 0.000 1.101 453 L HN 0.426 nan 8.230 nan 0.000 0.479 454 P HA 0.026 nan 4.420 nan 0.000 0.269 454 P C -1.957 174.981 177.300 -0.603 0.000 1.217 454 P CA -0.925 61.713 63.100 -0.770 0.000 0.783 454 P CB -0.074 30.952 31.700 -1.123 0.000 0.898 455 P HA -0.002 nan 4.420 nan 0.000 0.226 455 P C 0.282 177.389 177.300 -0.322 0.000 1.153 455 P CA 1.507 64.333 63.100 -0.456 0.000 0.777 455 P CB 0.487 31.922 31.700 -0.442 0.000 0.794 456 I N -0.777 119.561 120.570 -0.387 0.000 2.692 456 I HA 0.299 4.465 4.170 -0.008 0.000 0.293 456 I C -1.276 174.768 176.117 -0.122 0.000 1.200 456 I CA -1.239 59.936 61.300 -0.208 0.000 1.036 456 I CB 2.951 40.814 38.000 -0.228 0.000 1.258 456 I HN -0.266 nan 8.210 nan 0.000 0.421 457 K N 8.588 128.899 120.400 -0.148 0.000 2.201 457 K HA 0.581 4.897 4.320 -0.008 0.000 0.278 457 K C -2.461 174.002 176.600 -0.228 0.000 1.027 457 K CA -1.349 54.719 56.287 -0.364 0.000 0.909 457 K CB 1.219 33.316 32.500 -0.671 0.000 1.062 457 K HN 0.316 nan 8.250 nan 0.000 0.465 458 P HA 0.010 nan 4.420 nan 0.000 0.271 458 P C -1.132 175.911 177.300 -0.429 0.000 1.244 458 P CA -0.318 62.605 63.100 -0.296 0.000 0.793 458 P CB 0.421 31.913 31.700 -0.347 0.000 0.984 459 N N 0.685 119.126 118.700 -0.432 0.000 2.472 459 N HA 0.197 4.932 4.740 -0.008 0.000 0.277 459 N C -0.862 174.487 175.510 -0.268 0.000 1.081 459 N CA 0.141 53.044 53.050 -0.245 0.000 0.973 459 N CB 0.053 38.452 38.487 -0.147 0.000 1.105 459 N HN 0.360 nan 8.380 nan 0.000 0.470 460 Y N -0.420 119.973 120.300 0.156 0.000 2.376 460 Y HA 0.170 4.715 4.550 -0.008 0.000 0.340 460 Y C 0.626 176.699 175.900 0.289 0.000 0.965 460 Y CA -1.000 57.292 58.100 0.321 0.000 1.078 460 Y CB 1.316 39.886 38.460 0.184 0.000 1.193 460 Y HN 0.410 nan 8.280 nan 0.000 0.452 461 D N 3.535 124.266 120.400 0.552 0.000 2.455 461 D HA -0.007 4.629 4.640 -0.008 0.000 0.241 461 D C 0.321 176.777 176.300 0.260 0.000 1.138 461 D CA 0.356 54.492 54.000 0.228 0.000 0.877 461 D CB 0.951 41.735 40.800 -0.027 0.000 1.187 461 D HN 0.573 nan 8.370 nan 0.000 0.451 462 M N 2.726 122.432 119.600 0.177 0.000 2.333 462 M HA -0.011 4.464 4.480 -0.008 0.000 0.257 462 M C 1.797 178.195 176.300 0.162 0.000 1.078 462 M CA 0.070 55.470 55.300 0.168 0.000 1.005 462 M CB -0.402 32.274 32.600 0.125 0.000 1.444 462 M HN 0.341 nan 8.290 nan 0.000 0.496 463 T N 1.946 116.586 114.554 0.143 0.000 2.624 463 T HA -0.164 4.181 4.350 -0.008 0.000 0.268 463 T C 1.892 176.670 174.700 0.130 0.000 1.041 463 T CA 1.533 63.702 62.100 0.114 0.000 1.159 463 T CB -0.264 68.657 68.868 0.090 0.000 0.863 463 T HN 0.360 nan 8.240 nan 0.000 0.434 464 L N 0.305 121.633 121.223 0.174 0.000 2.418 464 L HA 0.030 4.365 4.340 -0.008 0.000 0.218 464 L C 2.636 179.666 176.870 0.267 0.000 1.125 464 L CA 0.796 55.716 54.840 0.134 0.000 0.835 464 L CB -0.449 41.611 42.059 0.001 0.000 0.953 464 L HN 0.282 nan 8.230 nan 0.000 0.454 465 T N -1.155 113.621 114.554 0.369 0.000 3.014 465 T HA -0.047 4.299 4.350 -0.008 0.000 0.263 465 T C 1.553 176.386 174.700 0.221 0.000 1.078 465 T CA 0.749 63.062 62.100 0.356 0.000 1.135 465 T CB -0.190 68.810 68.868 0.221 0.000 0.895 465 T HN 0.371 nan 8.240 nan 0.000 0.480 466 N N 1.531 120.332 118.700 0.170 0.000 2.061 466 N HA -0.118 4.617 4.740 -0.008 0.000 0.193 466 N C 2.171 177.760 175.510 0.130 0.000 1.030 466 N CA 1.107 54.235 53.050 0.130 0.000 0.856 466 N CB -0.174 38.375 38.487 0.103 0.000 1.023 466 N HN 0.348 nan 8.380 nan 0.000 0.424 467 A N 0.488 123.382 122.820 0.124 0.000 1.972 467 A HA -0.147 4.168 4.320 -0.008 0.000 0.219 467 A C 2.395 180.067 177.584 0.147 0.000 1.169 467 A CA 1.067 53.170 52.037 0.110 0.000 0.635 467 A CB -0.807 18.239 19.000 0.076 0.000 0.810 467 A HN 0.492 nan 8.150 nan 0.000 0.446 468 C N -0.675 118.743 119.300 0.196 0.000 2.453 468 C HA -0.008 4.447 4.460 -0.008 0.000 0.277 468 C C 2.510 177.676 174.990 0.294 0.000 1.262 468 C CA 0.744 59.925 59.018 0.272 0.000 1.718 468 C CB -1.346 26.573 27.740 0.300 0.000 2.031 468 C HN 0.623 nan 8.230 nan 0.000 0.480 469 I N 1.817 122.516 120.570 0.215 0.000 2.226 469 I HA -0.203 3.962 4.170 -0.008 0.000 0.245 469 I C 2.826 179.064 176.117 0.202 0.000 1.100 469 I CA 1.615 63.026 61.300 0.185 0.000 1.374 469 I CB -0.624 37.455 38.000 0.132 0.000 1.057 469 I HN 0.285 nan 8.210 nan 0.000 0.413 470 A N 0.716 123.644 122.820 0.181 0.000 1.877 470 A HA -0.218 4.097 4.320 -0.008 0.000 0.216 470 A C 2.249 179.970 177.584 0.228 0.000 1.186 470 A CA 1.585 53.723 52.037 0.168 0.000 0.620 470 A CB -0.782 18.293 19.000 0.124 0.000 0.822 470 A HN 0.375 nan 8.150 nan 0.000 0.443 471 L N -0.335 121.048 121.223 0.267 0.000 2.056 471 L HA -0.050 4.285 4.340 -0.008 0.000 0.207 471 L C 2.605 179.869 176.870 0.656 0.000 1.078 471 L CA 2.429 57.482 54.840 0.355 0.000 0.749 471 L CB -0.726 41.407 42.059 0.122 0.000 0.901 471 L HN 0.356 nan 8.230 nan 0.000 0.433 472 S N -1.302 114.807 115.700 0.683 0.000 2.368 472 S HA -0.212 4.253 4.470 -0.008 0.000 0.225 472 S C 1.971 176.828 174.600 0.427 0.000 1.030 472 S CA 1.240 59.792 58.200 0.586 0.000 0.999 472 S CB -0.237 63.134 63.200 0.285 0.000 0.844 472 S HN 0.573 nan 8.310 nan 0.000 0.459 473 Q N 0.677 120.669 119.800 0.320 0.000 2.167 473 Q HA 0.052 4.387 4.340 -0.008 0.000 0.202 473 Q C 2.359 178.516 176.000 0.261 0.000 0.970 473 Q CA 0.891 56.838 55.803 0.240 0.000 0.855 473 Q CB -0.340 28.500 28.738 0.170 0.000 0.911 473 Q HN 0.581 nan 8.270 nan 0.000 0.438 474 R N -0.924 119.759 120.500 0.306 0.000 2.081 474 R HA -0.164 4.171 4.340 -0.008 0.000 0.235 474 R C 2.045 178.575 176.300 0.384 0.000 1.131 474 R CA 1.471 57.740 56.100 0.282 0.000 0.960 474 R CB -0.239 30.236 30.300 0.292 0.000 0.856 474 R HN 0.304 nan 8.270 nan 0.000 0.436 475 W N 0.673 122.208 121.300 0.391 0.000 2.381 475 W HA -0.029 4.626 4.660 -0.008 0.000 0.301 475 W C 2.008 178.702 176.519 0.293 0.000 1.205 475 W CA 0.623 58.128 57.345 0.267 0.000 1.285 475 W CB -0.240 29.299 29.460 0.132 0.000 1.133 475 W HN -0.009 nan 8.180 nan 0.000 0.521 476 I N -0.010 120.823 120.570 0.439 0.000 2.286 476 I HA -0.279 3.886 4.170 -0.008 0.000 0.248 476 I C 2.431 178.684 176.117 0.226 0.000 1.115 476 I CA 1.883 63.347 61.300 0.274 0.000 1.392 476 I CB -0.817 37.290 38.000 0.179 0.000 1.065 476 I HN 0.012 nan 8.210 nan 0.000 0.418 477 T N -1.287 113.397 114.554 0.216 0.000 3.100 477 T HA 0.330 4.675 4.350 -0.008 0.000 0.253 477 T C 0.886 175.688 174.700 0.169 0.000 1.118 477 T CA 0.036 62.230 62.100 0.155 0.000 1.058 477 T CB -0.288 68.646 68.868 0.111 0.000 0.953 477 T HN 0.204 nan 8.240 nan 0.000 0.515 478 A N 2.208 125.175 122.820 0.245 0.000 2.498 478 A HA 0.488 4.803 4.320 -0.008 0.000 0.239 478 A C 0.454 178.206 177.584 0.279 0.000 1.068 478 A CA -0.320 51.833 52.037 0.193 0.000 0.766 478 A CB 0.317 19.422 19.000 0.174 0.000 1.003 478 A HN 0.314 nan 8.150 nan 0.000 0.497 479 K N 0.917 121.395 120.400 0.130 0.000 2.288 479 K HA 0.228 4.544 4.320 -0.008 0.000 0.234 479 K C 1.091 177.738 176.600 0.080 0.000 1.037 479 K CA -0.567 55.807 56.287 0.144 0.000 0.914 479 K CB 0.498 33.039 32.500 0.069 0.000 1.197 479 K HN 0.865 nan 8.250 nan 0.000 0.471 480 E N 1.182 121.439 120.200 0.094 0.000 2.097 480 E HA -0.241 4.104 4.350 -0.008 0.000 0.196 480 E C 0.670 177.255 176.600 -0.026 0.000 1.000 480 E CA 1.954 58.378 56.400 0.040 0.000 0.804 480 E CB 0.079 29.808 29.700 0.049 0.000 0.740 480 E HN 0.569 nan 8.360 nan 0.000 0.454 481 D N -0.161 120.221 120.400 -0.029 0.000 2.363 481 D HA -0.135 4.500 4.640 -0.008 0.000 0.226 481 D C 0.742 176.981 176.300 -0.102 0.000 1.020 481 D CA 0.508 54.474 54.000 -0.056 0.000 0.892 481 D CB -0.110 40.664 40.800 -0.043 0.000 0.900 481 D HN 0.189 nan 8.370 nan 0.000 0.531 482 D N 0.082 120.406 120.400 -0.127 0.000 2.354 482 D HA 0.079 4.715 4.640 -0.008 0.000 0.209 482 D C 2.158 178.265 176.300 -0.322 0.000 1.015 482 D CA -0.034 53.828 54.000 -0.231 0.000 0.867 482 D CB 0.434 41.105 40.800 -0.215 0.000 0.933 482 D HN 0.281 nan 8.370 nan 0.000 0.520 483 L N 0.793 121.899 121.223 -0.195 0.000 2.191 483 L HA -0.151 4.184 4.340 -0.008 0.000 0.212 483 L C 2.123 178.930 176.870 -0.106 0.000 1.103 483 L CA 0.774 55.546 54.840 -0.113 0.000 0.769 483 L CB -0.371 41.631 42.059 -0.095 0.000 0.908 483 L HN -0.010 nan 8.230 nan 0.000 0.438 484 N N 0.006 118.620 118.700 -0.143 0.000 2.289 484 N HA -0.186 4.549 4.740 -0.008 0.000 0.184 484 N C 1.945 177.351 175.510 -0.174 0.000 1.016 484 N CA 1.266 54.244 53.050 -0.120 0.000 0.872 484 N CB 0.070 38.495 38.487 -0.103 0.000 0.973 484 N HN 0.306 nan 8.380 nan 0.000 0.433 485 S N -1.312 114.195 115.700 -0.321 0.000 2.481 485 S HA 0.022 4.487 4.470 -0.008 0.000 0.231 485 S C 0.357 174.706 174.600 -0.417 0.000 0.996 485 S CA -0.043 57.922 58.200 -0.391 0.000 0.942 485 S CB -0.542 62.351 63.200 -0.512 0.000 0.768 485 S HN 0.123 nan 8.310 nan 0.000 0.520 486 F N 2.874 122.665 119.950 -0.266 0.000 2.429 486 F HA 0.557 5.079 4.527 -0.008 0.000 0.348 486 F C 0.881 176.609 175.800 -0.121 0.000 1.109 486 F CA -0.711 57.144 58.000 -0.242 0.000 1.232 486 F CB 0.445 39.170 39.000 -0.458 0.000 1.157 486 F HN 0.204 nan 8.300 nan 0.000 0.564 487 N N 0.405 119.223 118.700 0.197 0.000 2.710 487 N HA 0.330 5.065 4.740 -0.008 0.000 0.257 487 N C 0.184 175.838 175.510 0.240 0.000 1.327 487 N CA -0.060 53.067 53.050 0.129 0.000 0.861 487 N CB 1.966 40.488 38.487 0.059 0.000 1.532 487 N HN 0.559 nan 8.380 nan 0.000 0.499 488 A N 0.614 123.532 122.820 0.164 0.000 2.024 488 A HA -0.160 4.155 4.320 -0.008 0.000 0.220 488 A C 1.814 179.462 177.584 0.106 0.000 1.164 488 A CA 2.622 54.762 52.037 0.172 0.000 0.643 488 A CB -1.110 17.936 19.000 0.078 0.000 0.806 488 A HN 0.836 nan 8.150 nan 0.000 0.451 489 T N -2.502 112.102 114.554 0.083 0.000 3.007 489 T HA -0.114 4.231 4.350 -0.008 0.000 0.270 489 T C 1.092 175.816 174.700 0.040 0.000 1.107 489 T CA 1.256 63.381 62.100 0.043 0.000 1.118 489 T CB -0.441 68.444 68.868 0.029 0.000 0.889 489 T HN 0.403 nan 8.240 nan 0.000 0.506 490 D N 1.840 122.298 120.400 0.097 0.000 2.182 490 D HA -0.029 4.606 4.640 -0.008 0.000 0.201 490 D C 1.688 177.947 176.300 -0.067 0.000 0.986 490 D CA 0.903 54.946 54.000 0.072 0.000 0.847 490 D CB -0.189 40.761 40.800 0.249 0.000 0.942 490 D HN 0.463 nan 8.370 nan 0.000 0.467 491 L N 0.067 121.214 121.223 -0.126 0.000 2.607 491 L HA 0.139 4.474 4.340 -0.008 0.000 0.228 491 L C 2.139 178.954 176.870 -0.091 0.000 1.123 491 L CA -0.100 54.628 54.840 -0.187 0.000 0.890 491 L CB 0.018 41.915 42.059 -0.271 0.000 1.103 491 L HN -0.108 nan 8.230 nan 0.000 0.468 492 K N 0.967 121.337 120.400 -0.051 0.000 2.063 492 K HA -0.188 4.127 4.320 -0.008 0.000 0.208 492 K C 0.632 177.215 176.600 -0.030 0.000 1.048 492 K CA 1.568 57.837 56.287 -0.030 0.000 0.928 492 K CB 0.168 32.659 32.500 -0.015 0.000 0.713 492 K HN 0.332 nan 8.250 nan 0.000 0.442 493 D N 0.476 120.858 120.400 -0.030 0.000 2.388 493 D HA 0.101 4.736 4.640 -0.008 0.000 0.221 493 D C -0.191 176.092 176.300 -0.029 0.000 1.133 493 D CA 0.104 54.090 54.000 -0.024 0.000 0.831 493 D CB 0.376 41.167 40.800 -0.014 0.000 0.962 493 D HN 0.166 nan 8.370 nan 0.000 0.502 494 L N 1.318 122.518 121.223 -0.039 0.000 2.295 494 L HA 0.222 4.557 4.340 -0.008 0.000 0.285 494 L C 1.062 177.914 176.870 -0.030 0.000 1.035 494 L CA -0.604 54.215 54.840 -0.034 0.000 0.806 494 L CB 1.689 43.719 42.059 -0.048 0.000 1.214 494 L HN -0.099 nan 8.230 nan 0.000 0.426 495 S N 0.368 116.054 115.700 -0.022 0.000 2.634 495 S HA 0.089 4.555 4.470 -0.008 0.000 0.261 495 S C 1.269 175.866 174.600 -0.004 0.000 1.271 495 S CA -0.138 58.056 58.200 -0.009 0.000 0.985 495 S CB 1.363 64.574 63.200 0.018 0.000 0.968 495 S HN 0.743 nan 8.310 nan 0.000 0.568 496 S N 0.277 115.948 115.700 -0.049 0.000 2.383 496 S HA -0.230 4.235 4.470 -0.008 0.000 0.229 496 S C 1.480 176.024 174.600 -0.094 0.000 1.030 496 S CA 1.570 59.703 58.200 -0.112 0.000 1.002 496 S CB -1.240 61.839 63.200 -0.202 0.000 0.829 496 S HN 0.870 nan 8.310 nan 0.000 0.467 497 H N 1.468 120.567 119.070 0.049 0.000 2.387 497 H HA 0.069 4.620 4.556 -0.008 0.000 0.299 497 H C 2.502 177.961 175.328 0.219 0.000 1.090 497 H CA 1.812 57.954 56.048 0.157 0.000 1.332 497 H CB -0.251 29.632 29.762 0.202 0.000 1.386 497 H HN 0.514 nan 8.280 nan 0.000 0.516 498 Q N -0.326 119.597 119.800 0.204 0.000 2.172 498 Q HA -0.071 4.265 4.340 -0.008 0.000 0.200 498 Q C 1.967 178.086 176.000 0.198 0.000 0.964 498 Q CA 0.619 56.548 55.803 0.210 0.000 0.855 498 Q CB 0.039 28.817 28.738 0.067 0.000 0.918 498 Q HN 0.291 nan 8.270 nan 0.000 0.444 499 L N 1.192 122.479 121.223 0.106 0.000 2.056 499 L HA -0.171 4.164 4.340 -0.008 0.000 0.207 499 L C 1.854 178.772 176.870 0.080 0.000 1.078 499 L CA 1.780 56.667 54.840 0.078 0.000 0.749 499 L CB -0.531 41.515 42.059 -0.022 0.000 0.901 499 L HN 0.160 nan 8.230 nan 0.000 0.433 500 N N -0.597 118.139 118.700 0.060 0.000 2.166 500 N HA -0.247 4.488 4.740 -0.008 0.000 0.186 500 N C 1.867 177.419 175.510 0.070 0.000 1.019 500 N CA 1.385 54.457 53.050 0.036 0.000 0.856 500 N CB -0.059 38.467 38.487 0.065 0.000 0.993 500 N HN 0.395 nan 8.380 nan 0.000 0.426 501 E N -0.540 119.765 120.200 0.175 0.000 2.152 501 E HA -0.112 4.233 4.350 -0.008 0.000 0.192 501 E C 1.648 178.324 176.600 0.126 0.000 0.983 501 E CA 0.672 57.156 56.400 0.140 0.000 0.818 501 E CB -0.602 29.246 29.700 0.246 0.000 0.758 501 E HN 0.463 nan 8.360 nan 0.000 0.467 502 F N 0.710 120.691 119.950 0.052 0.000 2.095 502 F HA -0.141 4.382 4.527 -0.007 0.000 0.298 502 F C 1.681 177.477 175.800 -0.007 0.000 1.104 502 F CA 1.537 59.559 58.000 0.037 0.000 1.232 502 F CB -0.401 38.618 39.000 0.032 0.000 0.987 502 F HN 0.068 nan 8.300 nan 0.000 0.475 503 L N -0.042 120.955 121.223 -0.376 0.000 2.093 503 L HA -0.118 4.217 4.340 -0.008 0.000 0.208 503 L C 2.819 179.501 176.870 -0.312 0.000 1.085 503 L CA 1.034 55.584 54.840 -0.483 0.000 0.755 503 L CB -1.092 40.781 42.059 -0.309 0.000 0.904 503 L HN 0.287 nan 8.230 nan 0.000 0.435 504 A N -0.813 121.898 122.820 -0.181 0.000 1.898 504 A HA -0.201 4.114 4.320 -0.008 0.000 0.216 504 A C 2.253 179.757 177.584 -0.133 0.000 1.181 504 A CA 1.179 53.137 52.037 -0.132 0.000 0.620 504 A CB -0.329 18.626 19.000 -0.076 0.000 0.819 504 A HN 0.366 nan 8.150 nan 0.000 0.442 505 Q N -0.544 119.182 119.800 -0.123 0.000 2.084 505 Q HA -0.121 4.214 4.340 -0.008 0.000 0.202 505 Q C 2.148 178.077 176.000 -0.119 0.000 0.978 505 Q CA 2.066 57.821 55.803 -0.081 0.000 0.844 505 Q CB -0.740 27.992 28.738 -0.009 0.000 0.898 505 Q HN 0.678 nan 8.270 nan 0.000 0.426 506 T N 1.640 116.051 114.554 -0.238 0.000 2.896 506 T HA -0.075 4.270 4.350 -0.008 0.000 0.263 506 T C 1.853 176.444 174.700 -0.182 0.000 1.050 506 T CA 0.512 62.472 62.100 -0.232 0.000 1.140 506 T CB -0.206 68.393 68.868 -0.448 0.000 0.877 506 T HN 0.079 nan 8.240 nan 0.000 0.457 507 L N 1.456 122.556 121.223 -0.206 0.000 2.131 507 L HA -0.042 4.294 4.340 -0.008 0.000 0.210 507 L C 2.321 179.108 176.870 -0.139 0.000 1.092 507 L CA 1.648 56.380 54.840 -0.181 0.000 0.759 507 L CB -0.670 41.265 42.059 -0.207 0.000 0.903 507 L HN 0.237 nan 8.230 nan 0.000 0.435 508 Q N -0.883 118.849 119.800 -0.115 0.000 2.291 508 Q HA -0.162 4.174 4.340 -0.008 0.000 0.206 508 Q C 1.326 177.284 176.000 -0.069 0.000 0.976 508 Q CA 1.144 56.897 55.803 -0.084 0.000 0.875 508 Q CB 0.089 28.790 28.738 -0.063 0.000 0.927 508 Q HN 0.393 nan 8.270 nan 0.000 0.450 509 R N -0.710 119.749 120.500 -0.069 0.000 2.509 509 R HA 0.270 4.605 4.340 -0.008 0.000 0.300 509 R C -0.304 175.955 176.300 -0.068 0.000 0.985 509 R CA -0.025 56.044 56.100 -0.051 0.000 1.092 509 R CB 0.774 31.060 30.300 -0.023 0.000 1.237 509 R HN 0.039 nan 8.270 nan 0.000 0.546 510 A N 2.253 125.016 122.820 -0.095 0.000 2.425 510 A HA 0.367 4.683 4.320 -0.008 0.000 0.242 510 A C -1.856 175.666 177.584 -0.104 0.000 1.077 510 A CA -0.964 51.006 52.037 -0.112 0.000 0.781 510 A CB -0.251 18.662 19.000 -0.144 0.000 1.020 510 A HN 0.040 nan 8.150 nan 0.000 0.494 511 P HA 0.446 nan 4.420 nan 0.000 0.274 511 P C -0.994 176.235 177.300 -0.119 0.000 1.231 511 P CA -0.293 62.728 63.100 -0.131 0.000 0.790 511 P CB 0.652 32.269 31.700 -0.139 0.000 0.951 512 L N 3.272 124.417 121.223 -0.129 0.000 2.358 512 L HA 0.526 4.862 4.340 -0.008 0.000 0.268 512 L C -2.111 174.651 176.870 -0.181 0.000 1.032 512 L CA -2.162 52.593 54.840 -0.142 0.000 0.805 512 L CB 0.218 42.229 42.059 -0.079 0.000 1.253 512 L HN 0.289 nan 8.230 nan 0.000 0.452 513 P HA 0.035 nan 4.420 nan 0.000 0.266 513 P C 0.950 178.173 177.300 -0.128 0.000 1.195 513 P CA -0.049 62.919 63.100 -0.221 0.000 0.768 513 P CB 0.535 32.032 31.700 -0.337 0.000 0.838 514 L N 2.402 123.554 121.223 -0.119 0.000 2.079 514 L HA -0.168 4.167 4.340 -0.008 0.000 0.210 514 L C 2.148 178.908 176.870 -0.183 0.000 1.081 514 L CA 2.222 56.957 54.840 -0.176 0.000 0.752 514 L CB -0.937 41.032 42.059 -0.148 0.000 0.896 514 L HN 0.589 nan 8.230 nan 0.000 0.433 515 G N -1.807 106.965 108.800 -0.045 0.000 2.432 515 G HA2 -0.284 3.672 3.960 -0.008 0.000 0.219 515 G HA3 -0.284 3.672 3.960 -0.008 0.000 0.219 515 G C 1.085 176.048 174.900 0.105 0.000 1.135 515 G CA 0.612 45.718 45.100 0.011 0.000 0.767 515 G HN 0.434 nan 8.290 nan 0.000 0.550 516 H N 0.386 119.453 119.070 -0.006 0.000 2.357 516 H HA 0.028 4.579 4.556 -0.008 0.000 0.301 516 H C 2.639 177.964 175.328 -0.006 0.000 1.082 516 H CA 0.777 56.905 56.048 0.133 0.000 1.342 516 H CB -0.109 29.770 29.762 0.194 0.000 1.389 516 H HN 0.204 nan 8.280 nan 0.000 0.511 517 I N 0.918 121.477 120.570 -0.018 0.000 2.226 517 I HA -0.205 3.960 4.170 -0.008 0.000 0.245 517 I C 1.993 177.931 176.117 -0.299 0.000 1.100 517 I CA 1.232 62.443 61.300 -0.149 0.000 1.374 517 I CB -0.870 36.976 38.000 -0.256 0.000 1.057 517 I HN 0.226 nan 8.210 nan 0.000 0.413 518 K N 0.275 120.346 120.400 -0.549 0.000 2.057 518 K HA -0.217 4.098 4.320 -0.008 0.000 0.207 518 K C 2.240 178.727 176.600 -0.189 0.000 1.049 518 K CA 1.287 57.218 56.287 -0.594 0.000 0.931 518 K CB -0.159 32.035 32.500 -0.509 0.000 0.714 518 K HN 0.032 nan 8.250 nan 0.000 0.440 519 R N 1.319 121.767 120.500 -0.086 0.000 2.092 519 R HA -0.009 4.326 4.340 -0.008 0.000 0.231 519 R C 2.055 178.319 176.300 -0.061 0.000 1.119 519 R CA 1.341 57.443 56.100 0.003 0.000 0.970 519 R CB -0.326 30.048 30.300 0.124 0.000 0.864 519 R HN 0.165 nan 8.270 nan 0.000 0.440 520 M N -0.115 119.370 119.600 -0.190 0.000 2.117 520 M HA -0.215 4.261 4.480 -0.008 0.000 0.262 520 M C 2.017 178.069 176.300 -0.413 0.000 1.065 520 M CA 2.084 57.060 55.300 -0.542 0.000 1.114 520 M CB -0.093 32.193 32.600 -0.525 0.000 1.361 520 M HN 0.196 nan 8.290 nan 0.000 0.408 521 Q N 0.610 120.379 119.800 -0.052 0.000 2.119 521 Q HA -0.215 4.120 4.340 -0.008 0.000 0.201 521 Q C 1.658 177.639 176.000 -0.032 0.000 0.972 521 Q CA 2.204 58.041 55.803 0.057 0.000 0.847 521 Q CB -0.351 28.721 28.738 0.556 0.000 0.903 521 Q HN 0.666 nan 8.270 nan 0.000 0.433 522 E N -0.786 119.395 120.200 -0.033 0.000 2.077 522 E HA -0.154 4.191 4.350 -0.008 0.000 0.193 522 E C 1.605 178.154 176.600 -0.085 0.000 0.989 522 E CA 1.879 58.262 56.400 -0.028 0.000 0.800 522 E CB 0.108 29.798 29.700 -0.017 0.000 0.746 522 E HN 0.382 nan 8.360 nan 0.000 0.452 523 V N -2.222 117.577 119.914 -0.192 0.000 3.263 523 V HA 0.056 4.171 4.120 -0.008 0.000 0.248 523 V C 1.507 177.511 176.094 -0.150 0.000 1.145 523 V CA 0.354 62.539 62.300 -0.192 0.000 1.107 523 V CB -0.398 31.281 31.823 -0.239 0.000 0.797 523 V HN 0.162 nan 8.190 nan 0.000 0.467 524 Y N 0.803 120.877 120.300 -0.375 0.000 2.507 524 Y HA 0.375 4.920 4.550 -0.008 0.000 0.263 524 Y C 1.416 176.955 175.900 -0.601 0.000 1.093 524 Y CA -0.570 57.139 58.100 -0.652 0.000 1.285 524 Y CB -0.933 36.674 38.460 -1.422 0.000 1.115 524 Y HN 0.510 nan 8.280 nan 0.000 0.533 525 N N 0.192 118.708 118.700 -0.306 0.000 2.714 525 N HA -0.247 4.488 4.740 -0.008 0.000 0.253 525 N C -0.042 175.372 175.510 -0.161 0.000 1.024 525 N CA -0.144 52.809 53.050 -0.162 0.000 0.726 525 N CB -0.936 37.514 38.487 -0.061 0.000 0.908 525 N HN 0.048 nan 8.380 nan 0.000 0.542 526 F N 0.277 119.978 119.950 -0.415 0.000 2.333 526 F HA -0.049 4.474 4.527 -0.008 0.000 0.300 526 F C 2.137 177.680 175.800 -0.428 0.000 1.083 526 F CA 0.936 58.517 58.000 -0.699 0.000 1.395 526 F CB -0.613 37.357 39.000 -1.716 0.000 1.056 526 F HN 0.367 nan 8.300 nan 0.000 0.529 527 N N -0.212 118.533 118.700 0.074 0.000 2.348 527 N HA -0.150 4.586 4.740 -0.008 0.000 0.185 527 N C 1.815 177.397 175.510 0.120 0.000 1.019 527 N CA 0.708 53.907 53.050 0.249 0.000 0.880 527 N CB -0.122 38.511 38.487 0.243 0.000 0.965 527 N HN 0.233 nan 8.380 nan 0.000 0.437 528 A N 0.497 123.356 122.820 0.064 0.000 2.178 528 A HA 0.144 4.459 4.320 -0.008 0.000 0.211 528 A C 0.843 178.447 177.584 0.033 0.000 1.157 528 A CA -0.005 52.057 52.037 0.042 0.000 0.780 528 A CB 0.093 19.108 19.000 0.026 0.000 0.828 528 A HN 0.117 nan 8.150 nan 0.000 0.476 529 I N 1.275 121.866 120.570 0.034 0.000 2.416 529 I HA 0.062 4.227 4.170 -0.008 0.000 0.288 529 I C 0.316 176.438 176.117 0.009 0.000 1.051 529 I CA -0.422 60.886 61.300 0.012 0.000 1.375 529 I CB 0.836 38.829 38.000 -0.012 0.000 1.407 529 I HN 0.201 nan 8.210 nan 0.000 0.516 530 N N 3.749 122.449 118.700 0.000 0.000 2.325 530 N HA -0.044 4.691 4.740 -0.008 0.000 0.182 530 N C 0.599 176.102 175.510 -0.012 0.000 1.088 530 N CA 0.164 53.213 53.050 -0.001 0.000 0.879 530 N CB -0.033 38.455 38.487 0.002 0.000 0.983 530 N HN 0.567 nan 8.380 nan 0.000 0.471 531 N N 2.256 120.945 118.700 -0.019 0.000 2.315 531 N HA -0.083 4.652 4.740 -0.008 0.000 0.270 531 N C 1.204 176.689 175.510 -0.042 0.000 1.329 531 N CA 0.213 53.250 53.050 -0.022 0.000 0.860 531 N CB 0.732 39.194 38.487 -0.040 0.000 1.095 531 N HN 0.167 nan 8.380 nan 0.000 0.487 532 S N 3.606 119.286 115.700 -0.033 0.000 2.382 532 S HA -0.119 4.346 4.470 -0.008 0.000 0.228 532 S C 1.265 175.688 174.600 -0.294 0.000 1.027 532 S CA 0.715 58.822 58.200 -0.155 0.000 0.991 532 S CB -0.036 63.153 63.200 -0.018 0.000 0.823 532 S HN 0.623 nan 8.310 nan 0.000 0.469 533 E N 1.392 121.564 120.200 -0.048 0.000 2.072 533 E HA 0.029 4.374 4.350 -0.008 0.000 0.191 533 E C 2.184 178.803 176.600 0.032 0.000 0.985 533 E CA 1.042 57.480 56.400 0.065 0.000 0.801 533 E CB -0.379 29.416 29.700 0.159 0.000 0.750 533 E HN 0.611 nan 8.360 nan 0.000 0.452 534 I N 0.696 121.246 120.570 -0.033 0.000 2.202 534 I HA -0.245 3.920 4.170 -0.008 0.000 0.242 534 I C 2.839 178.916 176.117 -0.068 0.000 1.091 534 I CA 0.988 62.234 61.300 -0.089 0.000 1.368 534 I CB -0.249 37.665 38.000 -0.143 0.000 1.058 534 I HN 0.006 nan 8.210 nan 0.000 0.410 535 R N 0.696 121.169 120.500 -0.046 0.000 2.081 535 R HA -0.229 4.106 4.340 -0.008 0.000 0.235 535 R C 2.456 178.759 176.300 0.005 0.000 1.131 535 R CA 1.609 57.726 56.100 0.028 0.000 0.960 535 R CB -0.410 29.888 30.300 -0.003 0.000 0.856 535 R HN 0.230 nan 8.270 nan 0.000 0.436 536 F N 1.548 121.324 119.950 -0.290 0.000 2.065 536 F HA -0.237 4.284 4.527 -0.009 0.000 0.298 536 F C 2.062 177.768 175.800 -0.158 0.000 1.112 536 F CA 1.882 59.686 58.000 -0.327 0.000 1.212 536 F CB -0.276 38.366 39.000 -0.597 0.000 0.975 536 F HN -0.066 nan 8.300 nan 0.000 0.476 537 R N -0.524 119.780 120.500 -0.327 0.000 2.090 537 R HA -0.200 4.135 4.340 -0.008 0.000 0.228 537 R C 2.415 178.572 176.300 -0.238 0.000 1.110 537 R CA 1.481 57.328 56.100 -0.423 0.000 0.973 537 R CB -1.115 29.053 30.300 -0.221 0.000 0.869 537 R HN 0.662 nan 8.270 nan 0.000 0.440 538 W N 1.702 122.814 121.300 -0.312 0.000 2.355 538 W HA -0.201 4.455 4.660 -0.008 0.000 0.309 538 W C 1.307 177.729 176.519 -0.162 0.000 1.206 538 W CA 1.177 58.387 57.345 -0.226 0.000 1.284 538 W CB -0.169 29.180 29.460 -0.184 0.000 1.145 538 W HN 0.064 nan 8.180 nan 0.000 0.502 539 L N 0.650 121.674 121.223 -0.332 0.000 2.093 539 L HA -0.195 4.140 4.340 -0.008 0.000 0.208 539 L C 2.881 179.506 176.870 -0.409 0.000 1.085 539 L CA 1.255 55.825 54.840 -0.450 0.000 0.755 539 L CB -0.867 41.040 42.059 -0.253 0.000 0.904 539 L HN -0.044 nan 8.230 nan 0.000 0.435 540 R N -0.197 120.054 120.500 -0.415 0.000 2.081 540 R HA -0.193 4.142 4.340 -0.008 0.000 0.235 540 R C 2.234 178.327 176.300 -0.345 0.000 1.131 540 R CA 1.313 57.177 56.100 -0.392 0.000 0.960 540 R CB -0.536 29.448 30.300 -0.527 0.000 0.856 540 R HN 0.196 nan 8.270 nan 0.000 0.436 541 L N 0.614 121.627 121.223 -0.350 0.000 2.046 541 L HA -0.181 4.155 4.340 -0.008 0.000 0.208 541 L C 2.143 178.807 176.870 -0.344 0.000 1.077 541 L CA 1.655 56.315 54.840 -0.300 0.000 0.747 541 L CB -0.453 41.477 42.059 -0.216 0.000 0.896 541 L HN 0.177 nan 8.230 nan 0.000 0.432 542 C N -0.605 118.404 119.300 -0.485 0.000 2.446 542 C HA -0.101 4.354 4.460 -0.008 0.000 0.277 542 C C 2.679 177.505 174.990 -0.273 0.000 1.275 542 C CA 0.421 59.205 59.018 -0.390 0.000 1.727 542 C CB -0.838 26.587 27.740 -0.525 0.000 2.010 542 C HN 0.539 nan 8.230 nan 0.000 0.486 543 I N 0.762 121.150 120.570 -0.304 0.000 2.286 543 I HA -0.151 4.014 4.170 -0.008 0.000 0.245 543 I C 2.506 178.356 176.117 -0.444 0.000 1.104 543 I CA 1.571 62.684 61.300 -0.313 0.000 1.397 543 I CB -1.517 36.374 38.000 -0.181 0.000 1.072 543 I HN 0.515 nan 8.210 nan 0.000 0.417 544 Q N 0.006 119.611 119.800 -0.326 0.000 2.291 544 Q HA -0.063 4.272 4.340 -0.008 0.000 0.205 544 Q C 1.838 177.653 176.000 -0.308 0.000 0.970 544 Q CA 1.084 56.713 55.803 -0.291 0.000 0.876 544 Q CB -0.001 28.606 28.738 -0.218 0.000 0.935 544 Q HN 0.344 nan 8.270 nan 0.000 0.455 545 S N 0.127 115.643 115.700 -0.307 0.000 2.605 545 S HA 0.096 4.562 4.470 -0.008 0.000 0.217 545 S C -0.177 174.246 174.600 -0.296 0.000 0.958 545 S CA -0.064 57.981 58.200 -0.258 0.000 0.919 545 S CB 0.231 63.306 63.200 -0.207 0.000 0.780 545 S HN 0.284 nan 8.310 nan 0.000 0.507 546 K N -0.085 119.993 120.400 -0.537 0.000 3.218 546 K HA -0.162 4.153 4.320 -0.008 0.000 0.276 546 K C -0.923 175.603 176.600 -0.124 0.000 1.173 546 K CA 0.351 56.179 56.287 -0.766 0.000 0.812 546 K CB -1.521 30.753 32.500 -0.376 0.000 1.275 546 K HN 0.438 nan 8.250 nan 0.000 0.504 547 W N 2.724 123.868 121.300 -0.261 0.000 2.416 547 W HA 0.187 4.842 4.660 -0.008 0.000 0.318 547 W C 0.874 177.439 176.519 0.076 0.000 1.150 547 W CA -0.746 56.557 57.345 -0.070 0.000 1.392 547 W CB 0.113 29.489 29.460 -0.139 0.000 1.311 547 W HN 0.129 nan 8.180 nan 0.000 0.436 548 E N 1.976 122.407 120.200 0.385 0.000 2.204 548 E HA -0.226 4.119 4.350 -0.008 0.000 0.195 548 E C 1.125 177.668 176.600 -0.095 0.000 0.990 548 E CA 1.377 57.898 56.400 0.200 0.000 0.821 548 E CB 0.298 30.090 29.700 0.153 0.000 0.750 548 E HN 0.384 nan 8.360 nan 0.000 0.477 549 D N 0.499 120.659 120.400 -0.402 0.000 2.221 549 D HA -0.133 4.502 4.640 -0.008 0.000 0.204 549 D C 1.634 177.580 176.300 -0.590 0.000 0.982 549 D CA 1.148 54.779 54.000 -0.614 0.000 0.857 549 D CB -0.110 40.043 40.800 -1.080 0.000 0.934 549 D HN 0.194 nan 8.370 nan 0.000 0.475 550 A N -0.143 122.316 122.820 -0.603 0.000 2.169 550 A HA 0.053 4.368 4.320 -0.008 0.000 0.212 550 A C 2.140 179.589 177.584 -0.226 0.000 1.153 550 A CA 0.036 51.819 52.037 -0.423 0.000 0.756 550 A CB -0.406 18.356 19.000 -0.397 0.000 0.813 550 A HN 0.160 nan 8.150 nan 0.000 0.471 551 I N 0.869 121.354 120.570 -0.141 0.000 2.127 551 I HA -0.175 3.991 4.170 -0.008 0.000 0.241 551 I C -0.283 175.768 176.117 -0.111 0.000 1.075 551 I CA 1.600 62.854 61.300 -0.076 0.000 1.334 551 I CB -0.966 37.008 38.000 -0.043 0.000 1.040 551 I HN 0.248 nan 8.210 nan 0.000 0.405 552 P HA -0.141 nan 4.420 nan 0.000 0.218 552 P C 1.947 179.181 177.300 -0.110 0.000 1.149 552 P CA 1.541 64.579 63.100 -0.103 0.000 0.817 552 P CB -0.061 31.584 31.700 -0.092 0.000 0.785 553 L N -0.579 120.566 121.223 -0.130 0.000 2.056 553 L HA -0.107 4.229 4.340 -0.008 0.000 0.207 553 L C 2.767 179.564 176.870 -0.121 0.000 1.078 553 L CA 1.641 56.413 54.840 -0.114 0.000 0.749 553 L CB -1.288 40.697 42.059 -0.125 0.000 0.901 553 L HN -0.051 nan 8.230 nan 0.000 0.433 554 A N 0.123 122.855 122.820 -0.148 0.000 1.898 554 A HA -0.117 4.198 4.320 -0.008 0.000 0.216 554 A C 2.267 179.731 177.584 -0.200 0.000 1.181 554 A CA 1.171 53.112 52.037 -0.160 0.000 0.620 554 A CB -0.598 18.306 19.000 -0.160 0.000 0.819 554 A HN 0.326 nan 8.150 nan 0.000 0.442 555 L N -0.593 120.510 121.223 -0.200 0.000 2.083 555 L HA -0.192 4.143 4.340 -0.008 0.000 0.209 555 L C 2.638 179.384 176.870 -0.206 0.000 1.083 555 L CA 1.873 56.562 54.840 -0.250 0.000 0.752 555 L CB -0.330 41.627 42.059 -0.169 0.000 0.899 555 L HN 0.476 nan 8.230 nan 0.000 0.433 556 K N 0.294 120.614 120.400 -0.133 0.000 2.002 556 K HA -0.241 4.074 4.320 -0.008 0.000 0.209 556 K C 2.247 178.795 176.600 -0.086 0.000 1.048 556 K CA 1.695 57.928 56.287 -0.090 0.000 0.930 556 K CB -0.109 32.355 32.500 -0.060 0.000 0.714 556 K HN 0.143 nan 8.250 nan 0.000 0.438 557 M N 0.252 119.799 119.600 -0.089 0.000 2.159 557 M HA -0.121 4.355 4.480 -0.008 0.000 0.263 557 M C 1.939 178.203 176.300 -0.059 0.000 1.063 557 M CA 1.700 56.964 55.300 -0.061 0.000 1.110 557 M CB -0.066 32.497 32.600 -0.061 0.000 1.374 557 M HN 0.268 nan 8.290 nan 0.000 0.411 558 A N -0.382 122.354 122.820 -0.140 0.000 2.019 558 A HA -0.146 4.169 4.320 -0.008 0.000 0.219 558 A C 2.064 179.611 177.584 -0.062 0.000 1.164 558 A CA 2.105 54.040 52.037 -0.171 0.000 0.644 558 A CB -0.978 17.667 19.000 -0.591 0.000 0.805 558 A HN 0.698 nan 8.150 nan 0.000 0.449 559 T N -3.915 110.568 114.554 -0.118 0.000 3.000 559 T HA 0.164 4.509 4.350 -0.008 0.000 0.248 559 T C 1.385 176.069 174.700 -0.026 0.000 1.034 559 T CA 0.668 62.697 62.100 -0.119 0.000 1.060 559 T CB -0.043 68.584 68.868 -0.402 0.000 0.983 559 T HN 0.492 nan 8.240 nan 0.000 0.482 560 E N 1.202 121.397 120.200 -0.009 0.000 2.427 560 E HA 0.047 4.393 4.350 -0.008 0.000 0.196 560 E C 0.479 177.108 176.600 0.048 0.000 1.028 560 E CA 0.400 56.817 56.400 0.029 0.000 0.864 560 E CB 0.140 29.850 29.700 0.017 0.000 0.813 560 E HN 0.743 nan 8.360 nan 0.000 0.514 561 Q N -2.196 117.637 119.800 0.055 0.000 2.553 561 Q HA 0.538 4.874 4.340 -0.008 0.000 0.293 561 Q C 0.138 176.185 176.000 0.079 0.000 1.038 561 Q CA -0.828 55.020 55.803 0.075 0.000 0.777 561 Q CB 1.115 29.911 28.738 0.097 0.000 1.487 561 Q HN -0.060 nan 8.270 nan 0.000 0.426 562 G N -0.276 108.559 108.800 0.058 0.000 3.979 562 G HA2 0.120 4.075 3.960 -0.008 0.000 0.287 562 G HA3 0.120 4.075 3.960 -0.008 0.000 0.287 562 G C -0.523 174.320 174.900 -0.094 0.000 1.011 562 G CA -0.530 44.584 45.100 0.023 0.000 0.818 562 G HN 0.448 nan 8.290 nan 0.000 0.470 563 R N 0.926 121.360 120.500 -0.109 0.000 2.458 563 R HA 0.200 4.535 4.340 -0.008 0.000 0.303 563 R C 1.522 177.620 176.300 -0.338 0.000 1.013 563 R CA -0.186 55.738 56.100 -0.294 0.000 1.026 563 R CB 0.261 30.350 30.300 -0.351 0.000 0.948 563 R HN 0.146 nan 8.270 nan 0.000 0.417 564 M N 3.624 122.966 119.600 -0.430 0.000 2.296 564 M HA -0.189 4.287 4.480 -0.008 0.000 0.265 564 M C 1.979 178.117 176.300 -0.271 0.000 1.064 564 M CA 1.531 56.640 55.300 -0.318 0.000 1.109 564 M CB -0.264 32.097 32.600 -0.397 0.000 1.396 564 M HN 0.631 nan 8.290 nan 0.000 0.430 565 K N 0.459 120.608 120.400 -0.420 0.000 2.218 565 K HA -0.183 4.132 4.320 -0.008 0.000 0.205 565 K C 1.287 177.556 176.600 -0.551 0.000 1.046 565 K CA 1.531 57.523 56.287 -0.492 0.000 0.933 565 K CB 0.117 32.176 32.500 -0.734 0.000 0.728 565 K HN 0.164 nan 8.250 nan 0.000 0.454 566 F N -0.324 119.327 119.950 -0.499 0.000 2.399 566 F HA 0.115 4.637 4.527 -0.008 0.000 0.282 566 F C 2.451 178.177 175.800 -0.124 0.000 1.027 566 F CA 0.504 58.142 58.000 -0.603 0.000 1.333 566 F CB -0.921 37.815 39.000 -0.439 0.000 1.132 566 F HN -0.112 nan 8.300 nan 0.000 0.590 567 T N 0.679 115.307 114.554 0.123 0.000 2.746 567 T HA -0.142 4.203 4.350 -0.008 0.000 0.267 567 T C 2.178 177.029 174.700 0.251 0.000 1.039 567 T CA 1.414 63.626 62.100 0.186 0.000 1.142 567 T CB -0.156 68.811 68.868 0.165 0.000 0.866 567 T HN 0.103 nan 8.240 nan 0.000 0.444 568 R N 0.560 121.141 120.500 0.135 0.000 2.066 568 R HA -0.035 4.300 4.340 -0.008 0.000 0.232 568 R C -0.500 175.892 176.300 0.153 0.000 1.131 568 R CA 1.389 57.561 56.100 0.120 0.000 0.955 568 R CB -1.222 29.092 30.300 0.023 0.000 0.851 568 R HN 0.341 nan 8.270 nan 0.000 0.432 569 P HA -0.103 nan 4.420 nan 0.000 0.219 569 P C 1.125 178.526 177.300 0.168 0.000 1.150 569 P CA 1.109 64.323 63.100 0.190 0.000 0.814 569 P CB 0.035 31.936 31.700 0.335 0.000 0.787 570 L N -2.569 118.782 121.223 0.213 0.000 2.027 570 L HA -0.142 4.193 4.340 -0.008 0.000 0.206 570 L C 2.324 179.189 176.870 -0.008 0.000 1.074 570 L CA 1.411 56.291 54.840 0.067 0.000 0.745 570 L CB -0.870 41.208 42.059 0.032 0.000 0.898 570 L HN -0.098 nan 8.230 nan 0.000 0.433 571 F N 0.522 120.485 119.950 0.021 0.000 2.134 571 F HA -0.253 4.269 4.527 -0.007 0.000 0.299 571 F C 2.659 178.445 175.800 -0.023 0.000 1.097 571 F CA 1.709 59.700 58.000 -0.015 0.000 1.264 571 F CB -0.288 38.686 39.000 -0.043 0.000 1.001 571 F HN -0.032 nan 8.300 nan 0.000 0.479 572 K N 0.150 120.653 120.400 0.172 0.000 2.057 572 K HA -0.166 4.150 4.320 -0.008 0.000 0.206 572 K C 1.689 178.330 176.600 0.068 0.000 1.050 572 K CA 1.787 58.128 56.287 0.090 0.000 0.935 572 K CB -0.150 32.379 32.500 0.049 0.000 0.715 572 K HN 0.049 nan 8.250 nan 0.000 0.439 573 D N 0.841 121.267 120.400 0.043 0.000 2.097 573 D HA -0.151 4.484 4.640 -0.008 0.000 0.195 573 D C 1.889 178.228 176.300 0.066 0.000 0.989 573 D CA 1.051 55.060 54.000 0.015 0.000 0.827 573 D CB -0.139 40.633 40.800 -0.047 0.000 0.966 573 D HN 0.198 nan 8.370 nan 0.000 0.456 574 L N 0.448 121.704 121.223 0.056 0.000 2.127 574 L HA -0.159 4.177 4.340 -0.008 0.000 0.211 574 L C 2.401 179.344 176.870 0.122 0.000 1.089 574 L CA 1.085 55.975 54.840 0.082 0.000 0.757 574 L CB -0.351 41.694 42.059 -0.023 0.000 0.899 574 L HN -0.004 nan 8.230 nan 0.000 0.434 575 A N -0.232 122.660 122.820 0.120 0.000 1.930 575 A HA -0.055 4.261 4.320 -0.008 0.000 0.217 575 A C 2.444 180.191 177.584 0.271 0.000 1.175 575 A CA 1.464 53.594 52.037 0.155 0.000 0.627 575 A CB -0.496 18.570 19.000 0.110 0.000 0.815 575 A HN 0.382 nan 8.150 nan 0.000 0.443 576 A N -1.572 121.357 122.820 0.183 0.000 2.067 576 A HA 0.254 4.569 4.320 -0.008 0.000 0.217 576 A C 0.697 178.408 177.584 0.211 0.000 1.156 576 A CA 0.110 52.239 52.037 0.153 0.000 0.683 576 A CB -0.303 18.745 19.000 0.080 0.000 0.808 576 A HN 0.432 nan 8.150 nan 0.000 0.455 577 F N 2.708 122.680 119.950 0.038 0.000 2.444 577 F HA 0.224 4.746 4.527 -0.009 0.000 0.360 577 F C 1.105 176.936 175.800 0.051 0.000 1.106 577 F CA -1.756 56.257 58.000 0.022 0.000 1.170 577 F CB 0.512 39.512 39.000 -0.001 0.000 1.113 577 F HN 0.380 nan 8.300 nan 0.000 0.521 578 D N 4.339 124.840 120.400 0.167 0.000 2.182 578 D HA -0.220 4.415 4.640 -0.008 0.000 0.201 578 D C 1.274 177.436 176.300 -0.229 0.000 0.986 578 D CA 1.297 55.278 54.000 -0.032 0.000 0.847 578 D CB -0.076 40.722 40.800 -0.002 0.000 0.942 578 D HN 0.402 nan 8.370 nan 0.000 0.467 579 K N 0.319 120.319 120.400 -0.668 0.000 2.211 579 K HA -0.007 4.309 4.320 -0.008 0.000 0.203 579 K C 2.068 178.379 176.600 -0.483 0.000 1.050 579 K CA 1.166 57.054 56.287 -0.664 0.000 0.945 579 K CB -0.067 31.848 32.500 -0.975 0.000 0.732 579 K HN 0.409 nan 8.250 nan 0.000 0.451 580 S N -0.719 114.693 115.700 -0.480 0.000 2.539 580 S HA 0.019 4.485 4.470 -0.008 0.000 0.221 580 S C 1.624 176.195 174.600 -0.048 0.000 0.987 580 S CA -0.371 57.712 58.200 -0.195 0.000 0.929 580 S CB -0.190 62.943 63.200 -0.112 0.000 0.832 580 S HN 0.278 nan 8.310 nan 0.000 0.492 581 H N 2.641 121.657 119.070 -0.089 0.000 2.290 581 H HA -0.129 4.422 4.556 -0.008 0.000 0.298 581 H C 0.915 176.248 175.328 0.009 0.000 1.087 581 H CA 2.339 58.380 56.048 -0.013 0.000 1.291 581 H CB -0.364 29.391 29.762 -0.011 0.000 1.369 581 H HN 0.329 nan 8.280 nan 0.000 0.492 582 D N 0.316 120.758 120.400 0.071 0.000 2.144 582 D HA -0.153 4.482 4.640 -0.008 0.000 0.199 582 D C 2.330 178.615 176.300 -0.025 0.000 0.984 582 D CA 0.919 54.937 54.000 0.030 0.000 0.834 582 D CB -0.406 40.441 40.800 0.078 0.000 0.955 582 D HN 0.536 nan 8.370 nan 0.000 0.465 583 Q N 0.055 119.842 119.800 -0.021 0.000 2.172 583 Q HA -0.043 4.292 4.340 -0.008 0.000 0.200 583 Q C 1.984 178.000 176.000 0.025 0.000 0.964 583 Q CA 1.116 56.918 55.803 -0.002 0.000 0.855 583 Q CB 0.044 28.770 28.738 -0.020 0.000 0.918 583 Q HN 0.196 nan 8.270 nan 0.000 0.444 584 A N -0.152 122.669 122.820 0.002 0.000 1.902 584 A HA -0.137 4.179 4.320 -0.008 0.000 0.217 584 A C 2.159 179.855 177.584 0.186 0.000 1.181 584 A CA 1.527 53.624 52.037 0.100 0.000 0.623 584 A CB -0.700 18.335 19.000 0.059 0.000 0.818 584 A HN 0.292 nan 8.150 nan 0.000 0.443 585 V N 0.027 119.943 119.914 0.003 0.000 2.358 585 V HA -0.230 3.885 4.120 -0.008 0.000 0.246 585 V C 2.647 178.815 176.094 0.124 0.000 1.047 585 V CA 2.186 64.506 62.300 0.032 0.000 1.035 585 V CB -0.802 30.965 31.823 -0.092 0.000 0.658 585 V HN 0.662 nan 8.190 nan 0.000 0.452 586 R N -0.123 120.427 120.500 0.083 0.000 2.096 586 R HA -0.172 4.163 4.340 -0.008 0.000 0.235 586 R C 2.272 178.653 176.300 0.134 0.000 1.127 586 R CA 2.098 58.249 56.100 0.084 0.000 0.968 586 R CB -0.398 29.936 30.300 0.056 0.000 0.861 586 R HN 0.523 nan 8.270 nan 0.000 0.440 587 T N 0.016 114.691 114.554 0.201 0.000 2.857 587 T HA -0.158 4.187 4.350 -0.008 0.000 0.266 587 T C 1.261 176.195 174.700 0.391 0.000 1.048 587 T CA 1.284 63.564 62.100 0.301 0.000 1.139 587 T CB -0.371 68.657 68.868 0.266 0.000 0.874 587 T HN 0.390 nan 8.240 nan 0.000 0.455 588 Y N 2.197 122.619 120.300 0.203 0.000 2.163 588 Y HA -0.139 4.406 4.550 -0.007 0.000 0.288 588 Y C 2.529 178.441 175.900 0.020 0.000 1.136 588 Y CA 1.215 59.301 58.100 -0.024 0.000 1.147 588 Y CB -0.412 37.880 38.460 -0.280 0.000 0.987 588 Y HN 0.041 nan 8.280 nan 0.000 0.509 589 Q N 0.706 120.446 119.800 -0.101 0.000 2.096 589 Q HA -0.221 4.114 4.340 -0.008 0.000 0.204 589 Q C 2.068 177.974 176.000 -0.157 0.000 0.982 589 Q CA 2.126 57.814 55.803 -0.191 0.000 0.850 589 Q CB -0.406 28.312 28.738 -0.032 0.000 0.901 589 Q HN 0.704 nan 8.270 nan 0.000 0.422 590 E N -0.599 119.575 120.200 -0.043 0.000 2.150 590 E HA -0.159 4.186 4.350 -0.008 0.000 0.193 590 E C 1.529 178.030 176.600 -0.165 0.000 0.985 590 E CA 0.833 57.186 56.400 -0.079 0.000 0.814 590 E CB -0.044 29.634 29.700 -0.035 0.000 0.752 590 E HN 0.511 nan 8.360 nan 0.000 0.466 591 H N -0.190 118.823 119.070 -0.095 0.000 2.595 591 H HA 0.106 4.657 4.556 -0.008 0.000 0.265 591 H C 1.756 176.999 175.328 -0.143 0.000 0.953 591 H CA 0.489 56.498 56.048 -0.064 0.000 1.197 591 H CB 0.360 30.142 29.762 0.035 0.000 1.438 591 H HN -0.056 nan 8.280 nan 0.000 0.531 592 K N 1.130 121.394 120.400 -0.227 0.000 2.052 592 K HA -0.245 4.071 4.320 -0.008 0.000 0.215 592 K C 2.165 178.676 176.600 -0.148 0.000 1.053 592 K CA 1.672 57.751 56.287 -0.347 0.000 0.934 592 K CB -0.226 31.919 32.500 -0.591 0.000 0.717 592 K HN 0.285 nan 8.250 nan 0.000 0.450 593 A N 0.238 122.984 122.820 -0.123 0.000 2.070 593 A HA -0.111 4.204 4.320 -0.008 0.000 0.220 593 A C 1.873 179.437 177.584 -0.032 0.000 1.159 593 A CA 1.928 53.920 52.037 -0.074 0.000 0.656 593 A CB -0.387 18.570 19.000 -0.072 0.000 0.800 593 A HN 0.554 nan 8.150 nan 0.000 0.453 594 S N -1.901 113.791 115.700 -0.013 0.000 2.554 594 S HA 0.467 4.932 4.470 -0.008 0.000 0.226 594 S C 0.504 175.147 174.600 0.073 0.000 0.980 594 S CA -0.440 57.779 58.200 0.032 0.000 0.939 594 S CB -0.291 62.928 63.200 0.031 0.000 0.832 594 S HN 0.412 nan 8.310 nan 0.000 0.486 595 M N 1.668 121.305 119.600 0.061 0.000 2.283 595 M HA 0.321 4.796 4.480 -0.008 0.000 0.314 595 M C 0.384 176.734 176.300 0.083 0.000 1.153 595 M CA -0.586 54.773 55.300 0.097 0.000 1.084 595 M CB 0.383 33.035 32.600 0.088 0.000 1.468 595 M HN 0.338 nan 8.290 nan 0.000 0.474 596 H N 2.868 121.956 119.070 0.030 0.000 3.001 596 H HA 0.027 4.578 4.556 -0.008 0.000 0.334 596 H C -1.760 173.547 175.328 -0.035 0.000 1.034 596 H CA -0.489 55.553 56.048 -0.009 0.000 1.420 596 H CB 0.717 30.482 29.762 0.005 0.000 1.405 596 H HN 0.250 nan 8.280 nan 0.000 0.593 597 P HA -0.199 nan 4.420 nan 0.000 0.216 597 P C 1.320 178.591 177.300 -0.048 0.000 1.150 597 P CA 1.070 64.050 63.100 -0.201 0.000 0.837 597 P CB 0.246 31.784 31.700 -0.269 0.000 0.786 598 V N 0.231 120.186 119.914 0.069 0.000 2.379 598 V HA -0.161 3.954 4.120 -0.008 0.000 0.245 598 V C 2.629 178.770 176.094 0.077 0.000 1.044 598 V CA 2.471 64.836 62.300 0.108 0.000 1.036 598 V CB -1.897 29.999 31.823 0.122 0.000 0.664 598 V HN 0.161 nan 8.190 nan 0.000 0.453 599 T N 0.651 115.274 114.554 0.115 0.000 2.746 599 T HA -0.158 4.188 4.350 -0.008 0.000 0.267 599 T C 2.074 176.801 174.700 0.044 0.000 1.039 599 T CA 1.604 63.712 62.100 0.013 0.000 1.142 599 T CB -0.428 68.441 68.868 0.002 0.000 0.866 599 T HN 0.552 nan 8.240 nan 0.000 0.444 600 A N 1.415 124.287 122.820 0.087 0.000 1.933 600 A HA -0.027 4.289 4.320 -0.008 0.000 0.218 600 A C 2.314 179.987 177.584 0.149 0.000 1.175 600 A CA 1.486 53.610 52.037 0.146 0.000 0.628 600 A CB -0.677 18.365 19.000 0.070 0.000 0.814 600 A HN 0.442 nan 8.150 nan 0.000 0.444 601 M N -0.692 118.952 119.600 0.074 0.000 2.099 601 M HA -0.080 4.396 4.480 -0.008 0.000 0.262 601 M C 1.983 178.289 176.300 0.010 0.000 1.067 601 M CA 1.590 56.922 55.300 0.053 0.000 1.124 601 M CB -0.273 32.353 32.600 0.043 0.000 1.353 601 M HN 0.446 nan 8.290 nan 0.000 0.410 602 L N -0.874 120.342 121.223 -0.012 0.000 2.109 602 L HA -0.146 4.189 4.340 -0.008 0.000 0.207 602 L C 2.295 179.099 176.870 -0.111 0.000 1.086 602 L CA 0.516 55.331 54.840 -0.042 0.000 0.760 602 L CB -0.546 41.493 42.059 -0.033 0.000 0.910 602 L HN 0.121 nan 8.230 nan 0.000 0.437 603 V N 0.258 120.070 119.914 -0.170 0.000 2.343 603 V HA -0.202 3.913 4.120 -0.008 0.000 0.247 603 V C 2.633 178.354 176.094 -0.622 0.000 1.051 603 V CA 1.965 64.036 62.300 -0.381 0.000 1.036 603 V CB -1.246 30.277 31.823 -0.500 0.000 0.654 603 V HN 0.565 nan 8.190 nan 0.000 0.451 604 G N -0.226 108.237 108.800 -0.562 0.000 2.446 604 G HA2 -0.273 3.682 3.960 -0.008 0.000 0.217 604 G HA3 -0.273 3.682 3.960 -0.008 0.000 0.217 604 G C 1.670 176.429 174.900 -0.235 0.000 1.168 604 G CA 0.988 45.807 45.100 -0.468 0.000 0.771 604 G HN 0.465 nan 8.290 nan 0.000 0.551 605 K N 0.180 120.503 120.400 -0.129 0.000 2.063 605 K HA -0.086 4.229 4.320 -0.008 0.000 0.208 605 K C 2.209 178.762 176.600 -0.078 0.000 1.048 605 K CA 1.381 57.629 56.287 -0.065 0.000 0.928 605 K CB -0.124 32.363 32.500 -0.022 0.000 0.713 605 K HN 0.141 nan 8.250 nan 0.000 0.442 606 D N 0.582 120.913 120.400 -0.114 0.000 2.117 606 D HA -0.132 4.503 4.640 -0.008 0.000 0.197 606 D C 1.483 177.726 176.300 -0.095 0.000 0.987 606 D CA 1.070 55.016 54.000 -0.089 0.000 0.829 606 D CB -0.001 40.741 40.800 -0.096 0.000 0.961 606 D HN 0.019 nan 8.370 nan 0.000 0.460 607 L N 0.417 121.529 121.223 -0.184 0.000 2.591 607 L HA 0.065 4.400 4.340 -0.008 0.000 0.228 607 L C 0.446 177.268 176.870 -0.079 0.000 1.133 607 L CA 0.359 55.105 54.840 -0.155 0.000 0.880 607 L CB -0.312 41.558 42.059 -0.314 0.000 1.033 607 L HN -0.105 nan 8.230 nan 0.000 0.450 608 K N -1.033 119.326 120.400 -0.069 0.000 3.117 608 K HA -0.140 4.175 4.320 -0.008 0.000 0.269 608 K C -0.442 176.153 176.600 -0.009 0.000 1.098 608 K CA 0.283 56.559 56.287 -0.019 0.000 0.785 608 K CB -2.713 29.796 32.500 0.015 0.000 1.242 608 K HN 0.105 nan 8.250 nan 0.000 0.491 609 V N 1.524 121.414 119.914 -0.039 0.000 2.435 609 V HA 0.327 4.442 4.120 -0.008 0.000 0.290 609 V C 0.759 176.892 176.094 0.064 0.000 1.030 609 V CA -0.451 61.863 62.300 0.023 0.000 0.881 609 V CB 1.637 33.490 31.823 0.049 0.000 0.983 609 V HN 0.459 nan 8.190 nan 0.000 0.445 610 D N 0.000 120.442 120.400 0.069 0.000 6.856 610 D HA 0.000 4.635 4.640 -0.008 0.000 0.175 610 D CA 0.000 54.038 54.000 0.063 0.000 0.868 610 D CB 0.000 40.852 40.800 0.087 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683