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 1sqm_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 QGAMKFTRPL 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 0.000 177.307 177.300 0.011 0.000 1.155 1 P CA 0.000 63.108 63.100 0.013 0.000 0.800 1 P CB 0.000 31.708 31.700 0.013 0.000 0.726 2 E N 2.381 122.589 120.200 0.015 0.000 2.218 2 E HA 0.718 5.063 4.350 -0.009 0.000 0.263 2 E C -1.612 175.001 176.600 0.023 0.000 0.879 2 E CA -0.639 55.770 56.400 0.015 0.000 0.762 2 E CB 1.340 31.049 29.700 0.015 0.000 1.166 2 E HN 0.558 nan 8.360 nan 0.000 0.415 3 I N 4.547 125.131 120.570 0.023 0.000 2.582 3 I HA 0.569 4.734 4.170 -0.009 0.000 0.292 3 I C -1.348 174.789 176.117 0.034 0.000 1.066 3 I CA -1.111 60.213 61.300 0.040 0.000 1.053 3 I CB 1.639 39.671 38.000 0.054 0.000 1.241 3 I HN 0.477 nan 8.210 nan 0.000 0.421 4 V N 5.968 125.908 119.914 0.042 0.000 2.850 4 V HA 0.458 4.573 4.120 -0.009 0.000 0.315 4 V C -0.792 175.328 176.094 0.044 0.000 1.064 4 V CA -0.376 61.945 62.300 0.035 0.000 0.979 4 V CB 1.953 33.795 31.823 0.032 0.000 1.039 4 V HN 0.764 nan 8.190 nan 0.000 0.452 5 D N 2.531 122.952 120.400 0.035 0.000 2.428 5 D HA 0.186 4.821 4.640 -0.009 0.000 0.221 5 D C 1.215 177.551 176.300 0.061 0.000 1.123 5 D CA 0.278 54.303 54.000 0.042 0.000 0.869 5 D CB 1.480 42.294 40.800 0.023 0.000 1.032 5 D HN 0.787 nan 8.370 nan 0.000 0.506 6 T N -0.257 114.342 114.554 0.076 0.000 3.051 6 T HA -0.102 4.242 4.350 -0.009 0.000 0.269 6 T C 1.777 176.537 174.700 0.101 0.000 1.127 6 T CA 0.356 62.504 62.100 0.080 0.000 1.107 6 T CB -0.373 68.545 68.868 0.083 0.000 0.898 6 T HN 0.427 nan 8.240 nan 0.000 0.517 7 C N 1.294 120.676 119.300 0.137 0.000 2.696 7 C HA 0.455 4.910 4.460 -0.009 0.000 0.264 7 C C 1.451 176.505 174.990 0.107 0.000 1.288 7 C CA -0.600 58.519 59.018 0.169 0.000 1.717 7 C CB -1.023 26.880 27.740 0.272 0.000 1.893 7 C HN 0.616 nan 8.230 nan 0.000 0.577 8 S N -0.043 115.705 115.700 0.079 0.000 2.501 8 S HA 0.632 5.097 4.470 -0.009 0.000 0.301 8 S C 0.163 174.773 174.600 0.016 0.000 1.096 8 S CA -0.534 57.694 58.200 0.047 0.000 1.063 8 S CB 0.641 63.873 63.200 0.052 0.000 1.042 8 S HN 0.424 nan 8.310 nan 0.000 0.494 9 L N 2.974 124.197 121.223 -0.001 0.000 2.667 9 L HA 0.418 4.753 4.340 -0.009 0.000 0.232 9 L C 1.060 177.928 176.870 -0.002 0.000 1.138 9 L CA -0.288 54.547 54.840 -0.009 0.000 0.921 9 L CB -0.351 41.692 42.059 -0.026 0.000 1.180 9 L HN 0.657 nan 8.230 nan 0.000 0.487 10 A N -0.118 122.704 122.820 0.003 0.000 2.257 10 A HA 0.523 4.838 4.320 -0.009 0.000 0.289 10 A C 0.487 178.075 177.584 0.006 0.000 1.095 10 A CA -0.257 51.781 52.037 0.002 0.000 0.836 10 A CB 0.425 19.425 19.000 0.001 0.000 1.111 10 A HN 0.158 nan 8.150 nan 0.000 0.497 11 S N 2.568 118.271 115.700 0.005 0.000 2.537 11 S HA 0.291 4.756 4.470 -0.009 0.000 0.286 11 S C -2.030 172.574 174.600 0.007 0.000 1.299 11 S CA -0.501 57.703 58.200 0.007 0.000 1.067 11 S CB -0.042 63.162 63.200 0.007 0.000 0.864 11 S HN 0.639 nan 8.310 nan 0.000 0.494 12 P HA 0.177 nan 4.420 nan 0.000 0.274 12 P C 0.451 177.754 177.300 0.005 0.000 1.256 12 P CA -0.379 62.725 63.100 0.007 0.000 0.795 12 P CB 0.597 32.301 31.700 0.008 0.000 1.038 13 A N 1.489 124.310 122.820 0.002 0.000 2.024 13 A HA -0.180 4.135 4.320 -0.009 0.000 0.220 13 A C 2.153 179.738 177.584 0.002 0.000 1.164 13 A CA 2.249 54.286 52.037 0.001 0.000 0.643 13 A CB -1.758 17.240 19.000 -0.003 0.000 0.806 13 A HN 0.674 nan 8.150 nan 0.000 0.451 14 S N -1.100 114.602 115.700 0.003 0.000 2.515 14 S HA 0.013 4.477 4.470 -0.009 0.000 0.231 14 S C 1.440 176.043 174.600 0.005 0.000 0.987 14 S CA 1.141 59.344 58.200 0.004 0.000 0.936 14 S CB -0.204 62.999 63.200 0.005 0.000 0.766 14 S HN 0.243 nan 8.310 nan 0.000 0.528 15 V N 0.791 120.708 119.914 0.005 0.000 2.627 15 V HA 0.243 4.358 4.120 -0.009 0.000 0.239 15 V C 1.176 177.273 176.094 0.006 0.000 1.077 15 V CA 0.749 63.053 62.300 0.006 0.000 1.103 15 V CB 0.065 31.893 31.823 0.007 0.000 0.802 15 V HN 0.916 nan 8.190 nan 0.000 0.482 16 C N -0.593 118.710 119.300 0.006 0.000 3.311 16 C HA 0.798 5.252 4.460 -0.009 0.000 0.325 16 C C -0.908 174.086 174.990 0.007 0.000 1.352 16 C CA -1.293 57.729 59.018 0.007 0.000 1.308 16 C CB 1.676 29.421 27.740 0.008 0.000 1.619 16 C HN 0.406 nan 8.230 nan 0.000 0.469 17 R N 0.591 121.096 120.500 0.008 0.000 2.575 17 R HA 0.639 4.974 4.340 -0.009 0.000 0.293 17 R C -0.902 175.407 176.300 0.015 0.000 0.983 17 R CA -0.281 55.825 56.100 0.010 0.000 0.887 17 R CB 2.328 32.633 30.300 0.008 0.000 1.184 17 R HN 0.852 nan 8.270 nan 0.000 0.445 18 T N 3.726 118.289 114.554 0.015 0.000 2.814 18 T HA 0.111 4.456 4.350 -0.009 0.000 0.297 18 T C 0.953 175.676 174.700 0.037 0.000 0.956 18 T CA -0.299 61.814 62.100 0.023 0.000 1.123 18 T CB 0.740 69.613 68.868 0.009 0.000 0.902 18 T HN 0.279 nan 8.240 nan 0.000 0.528 19 K N 1.808 122.243 120.400 0.059 0.000 2.334 19 K HA 0.141 4.455 4.320 -0.009 0.000 0.195 19 K C 0.494 177.189 176.600 0.157 0.000 1.045 19 K CA 0.478 56.812 56.287 0.078 0.000 1.004 19 K CB 0.253 32.790 32.500 0.062 0.000 0.837 19 K HN 0.737 nan 8.250 nan 0.000 0.510 20 H N -1.093 117.999 119.070 0.036 0.000 3.064 20 H HA 0.496 5.047 4.556 -0.009 0.000 0.352 20 H C -2.076 173.302 175.328 0.083 0.000 1.260 20 H CA -1.020 55.066 56.048 0.064 0.000 1.160 20 H CB 1.386 31.178 29.762 0.050 0.000 1.879 20 H HN -0.080 nan 8.280 nan 0.000 0.544 21 L N 3.600 124.508 121.223 -0.525 0.000 2.410 21 L HA 0.416 4.750 4.340 -0.009 0.000 0.270 21 L C -1.623 175.090 176.870 -0.262 0.000 0.983 21 L CA -0.332 54.357 54.840 -0.251 0.000 0.822 21 L CB 1.540 43.503 42.059 -0.161 0.000 1.285 21 L HN 0.850 nan 8.230 nan 0.000 0.409 22 H N 5.989 125.015 119.070 -0.073 0.000 2.685 22 H HA 0.403 4.953 4.556 -0.009 0.000 0.307 22 H C -1.684 173.687 175.328 0.072 0.000 1.017 22 H CA -0.865 55.224 56.048 0.069 0.000 1.237 22 H CB 1.316 31.185 29.762 0.178 0.000 1.409 22 H HN 0.675 nan 8.280 nan 0.000 0.488 23 L N 6.397 127.688 121.223 0.112 0.000 2.282 23 L HA 0.465 4.800 4.340 -0.009 0.000 0.288 23 L C -0.586 176.273 176.870 -0.019 0.000 1.033 23 L CA -0.701 54.145 54.840 0.010 0.000 0.807 23 L CB 0.709 42.787 42.059 0.031 0.000 1.209 23 L HN 0.710 nan 8.230 nan 0.000 0.423 24 R N 4.651 125.099 120.500 -0.087 0.000 2.388 24 R HA 0.475 4.810 4.340 -0.009 0.000 0.314 24 R C -1.057 175.229 176.300 -0.024 0.000 0.959 24 R CA -0.464 55.603 56.100 -0.054 0.000 0.851 24 R CB 1.370 31.591 30.300 -0.132 0.000 1.168 24 R HN 0.779 nan 8.270 nan 0.000 0.472 25 C N -0.699 118.607 119.300 0.010 0.000 3.236 25 C HA 0.816 5.271 4.460 -0.009 0.000 0.312 25 C C -0.388 174.599 174.990 -0.004 0.000 1.374 25 C CA -1.006 57.993 59.018 -0.032 0.000 1.455 25 C CB 1.950 29.685 27.740 -0.009 0.000 1.834 25 C HN 0.653 nan 8.230 nan 0.000 0.460 26 S N 0.179 115.859 115.700 -0.034 0.000 2.538 26 S HA 0.697 5.161 4.470 -0.009 0.000 0.288 26 S C -1.064 173.535 174.600 -0.002 0.000 1.108 26 S CA -0.339 57.862 58.200 0.001 0.000 0.971 26 S CB 1.318 64.513 63.200 -0.007 0.000 1.041 26 S HN 1.063 nan 8.310 nan 0.000 0.483 27 V N 4.772 124.698 119.914 0.019 0.000 2.353 27 V HA 0.311 4.425 4.120 -0.009 0.000 0.264 27 V C 0.010 176.106 176.094 0.003 0.000 1.049 27 V CA -0.571 61.721 62.300 -0.013 0.000 0.896 27 V CB 0.935 32.683 31.823 -0.125 0.000 1.025 27 V HN 0.840 nan 8.190 nan 0.000 0.475 28 D N 4.088 124.494 120.400 0.010 0.000 2.456 28 D HA 0.253 4.888 4.640 -0.009 0.000 0.219 28 D C 0.670 176.895 176.300 -0.125 0.000 1.126 28 D CA -0.355 53.629 54.000 -0.026 0.000 0.890 28 D CB 0.687 41.447 40.800 -0.068 0.000 1.025 28 D HN 0.363 nan 8.370 nan 0.000 0.511 29 F N 1.088 121.099 119.950 0.101 0.000 2.234 29 F HA -0.121 4.400 4.527 -0.009 0.000 0.299 29 F C 2.496 178.235 175.800 -0.103 0.000 1.087 29 F CA 0.936 58.978 58.000 0.070 0.000 1.340 29 F CB -0.188 38.925 39.000 0.188 0.000 1.031 29 F HN 0.299 nan 8.300 nan 0.000 0.500 30 T N -0.886 113.720 114.554 0.087 0.000 2.915 30 T HA -0.105 4.240 4.350 -0.009 0.000 0.269 30 T C 1.891 176.528 174.700 -0.105 0.000 1.071 30 T CA 1.114 63.216 62.100 0.004 0.000 1.132 30 T CB -0.108 68.769 68.868 0.016 0.000 0.878 30 T HN 0.192 nan 8.240 nan 0.000 0.479 31 R N -0.233 120.153 120.500 -0.191 0.000 2.365 31 R HA 0.268 4.602 4.340 -0.009 0.000 0.223 31 R C 0.083 176.101 176.300 -0.470 0.000 0.899 31 R CA -0.227 55.721 56.100 -0.252 0.000 1.059 31 R CB 0.528 30.718 30.300 -0.184 0.000 1.086 31 R HN 0.026 nan 8.270 nan 0.000 0.522 32 R N 0.846 120.856 120.500 -0.816 0.000 3.423 32 R HA -0.126 4.209 4.340 -0.009 0.000 0.271 32 R C -0.703 174.818 176.300 -1.297 0.000 1.093 32 R CA 1.361 56.374 56.100 -1.811 0.000 0.730 32 R CB -2.913 26.586 30.300 -1.336 0.000 1.190 32 R HN 0.424 nan 8.270 nan 0.000 0.437 33 T N -2.689 111.465 114.554 -0.667 0.000 2.906 33 T HA 0.708 5.053 4.350 -0.009 0.000 0.295 33 T C -0.012 174.754 174.700 0.110 0.000 1.061 33 T CA -1.069 60.954 62.100 -0.128 0.000 1.000 33 T CB 2.836 71.628 68.868 -0.126 0.000 1.103 33 T HN 0.238 nan 8.240 nan 0.000 0.486 34 L N 1.977 123.304 121.223 0.174 0.000 2.296 34 L HA 0.703 5.037 4.340 -0.009 0.000 0.286 34 L C -0.755 176.058 176.870 -0.096 0.000 1.023 34 L CA -0.214 54.679 54.840 0.089 0.000 0.812 34 L CB 1.527 43.662 42.059 0.126 0.000 1.223 34 L HN 0.929 nan 8.230 nan 0.000 0.421 35 T N 3.456 117.896 114.554 -0.190 0.000 2.863 35 T HA 0.900 5.245 4.350 -0.009 0.000 0.285 35 T C -0.119 174.312 174.700 -0.448 0.000 1.009 35 T CA -0.205 61.674 62.100 -0.367 0.000 0.989 35 T CB 1.828 70.566 68.868 -0.217 0.000 1.004 35 T HN 0.971 nan 8.240 nan 0.000 0.455 36 G N 1.175 109.549 108.800 -0.710 0.000 2.333 36 G HA2 0.477 4.432 3.960 -0.009 0.000 0.288 36 G HA3 0.477 4.432 3.960 -0.009 0.000 0.288 36 G C -1.087 173.570 174.900 -0.405 0.000 1.286 36 G CA -0.286 44.536 45.100 -0.463 0.000 0.865 36 G HN 0.939 nan 8.290 nan 0.000 0.506 37 T N -2.059 112.454 114.554 -0.068 0.000 2.824 37 T HA 0.797 5.142 4.350 -0.009 0.000 0.282 37 T C -0.176 174.646 174.700 0.203 0.000 0.993 37 T CA 0.265 62.427 62.100 0.103 0.000 0.967 37 T CB 1.817 70.686 68.868 0.000 0.000 0.960 37 T HN 2.006 nan 8.240 nan 0.000 0.441 38 A N 2.451 125.425 122.820 0.256 0.000 2.256 38 A HA 0.787 5.102 4.320 -0.009 0.000 0.317 38 A C 0.367 177.959 177.584 0.014 0.000 1.318 38 A CA -0.894 51.184 52.037 0.068 0.000 0.894 38 A CB -0.025 18.903 19.000 -0.120 0.000 1.165 38 A HN 1.382 nan 8.150 nan 0.000 0.525 39 A N 3.739 126.567 122.820 0.012 0.000 2.260 39 A HA 0.633 4.948 4.320 -0.009 0.000 0.312 39 A C -0.386 177.238 177.584 0.067 0.000 1.321 39 A CA -0.295 51.772 52.037 0.050 0.000 0.928 39 A CB -0.099 18.958 19.000 0.096 0.000 1.158 39 A HN 0.803 nan 8.150 nan 0.000 0.542 40 L N 2.607 123.854 121.223 0.040 0.000 2.282 40 L HA 0.375 4.709 4.340 -0.009 0.000 0.288 40 L C 0.105 177.015 176.870 0.066 0.000 1.033 40 L CA -0.367 54.496 54.840 0.038 0.000 0.807 40 L CB 1.767 43.824 42.059 -0.003 0.000 1.209 40 L HN 0.585 nan 8.230 nan 0.000 0.423 41 T N 3.105 117.720 114.554 0.102 0.000 2.727 41 T HA 0.365 4.710 4.350 -0.009 0.000 0.298 41 T C 0.035 174.773 174.700 0.063 0.000 0.942 41 T CA -0.298 61.859 62.100 0.095 0.000 0.997 41 T CB 0.878 69.825 68.868 0.131 0.000 0.917 41 T HN 0.183 nan 8.240 nan 0.000 0.487 42 V N 4.469 124.407 119.914 0.041 0.000 2.459 42 V HA 0.428 4.543 4.120 -0.009 0.000 0.295 42 V C 0.086 176.194 176.094 0.022 0.000 1.029 42 V CA -0.897 61.419 62.300 0.028 0.000 0.874 42 V CB 1.741 33.576 31.823 0.019 0.000 0.985 42 V HN 0.784 nan 8.190 nan 0.000 0.438 43 Q N 2.690 122.501 119.800 0.018 0.000 2.293 43 Q HA 0.482 4.816 4.340 -0.009 0.000 0.261 43 Q C -0.198 175.808 176.000 0.010 0.000 0.960 43 Q CA -0.268 55.543 55.803 0.012 0.000 0.882 43 Q CB 1.700 30.444 28.738 0.010 0.000 1.275 43 Q HN 0.795 nan 8.270 nan 0.000 0.445 44 S N 2.571 118.276 115.700 0.008 0.000 2.565 44 S HA 0.098 4.563 4.470 -0.009 0.000 0.276 44 S C 0.252 174.855 174.600 0.005 0.000 1.326 44 S CA -0.143 58.062 58.200 0.007 0.000 1.045 44 S CB 0.787 63.992 63.200 0.007 0.000 0.918 44 S HN 0.755 nan 8.310 nan 0.000 0.505 45 Q N 2.054 121.857 119.800 0.005 0.000 2.217 45 Q HA 0.353 4.688 4.340 -0.009 0.000 0.217 45 Q C -0.363 175.640 176.000 0.004 0.000 0.844 45 Q CA 0.278 56.084 55.803 0.004 0.000 0.957 45 Q CB 0.666 29.407 28.738 0.004 0.000 1.127 45 Q HN 0.731 nan 8.270 nan 0.000 0.503 46 E N 0.190 120.393 120.200 0.005 0.000 2.378 46 E HA 0.295 4.640 4.350 -0.009 0.000 0.265 46 E C -1.331 175.271 176.600 0.005 0.000 0.932 46 E CA -0.740 55.663 56.400 0.005 0.000 0.795 46 E CB 1.514 31.218 29.700 0.006 0.000 1.296 46 E HN -0.110 nan 8.360 nan 0.000 0.438 47 D N 0.274 120.676 120.400 0.004 0.000 2.304 47 D HA 0.085 4.720 4.640 -0.009 0.000 0.247 47 D C -0.207 176.096 176.300 0.005 0.000 1.089 47 D CA 0.034 54.037 54.000 0.004 0.000 0.910 47 D CB 0.485 41.287 40.800 0.004 0.000 1.199 47 D HN 0.448 nan 8.370 nan 0.000 0.426 48 N N 1.776 120.479 118.700 0.005 0.000 2.705 48 N HA -0.223 4.511 4.740 -0.009 0.000 0.255 48 N C -1.400 174.114 175.510 0.007 0.000 1.008 48 N CA 0.185 53.238 53.050 0.006 0.000 0.742 48 N CB -1.096 37.394 38.487 0.005 0.000 0.906 48 N HN 0.417 nan 8.380 nan 0.000 0.541 49 L N 0.691 121.919 121.223 0.008 0.000 2.313 49 L HA 0.333 4.668 4.340 -0.009 0.000 0.282 49 L C 1.254 178.130 176.870 0.011 0.000 1.092 49 L CA 0.304 55.149 54.840 0.009 0.000 0.831 49 L CB 0.631 42.696 42.059 0.009 0.000 1.159 49 L HN 0.290 nan 8.230 nan 0.000 0.442 50 R N 1.935 122.442 120.500 0.011 0.000 2.373 50 R HA 0.291 4.626 4.340 -0.009 0.000 0.221 50 R C -0.327 175.983 176.300 0.017 0.000 0.893 50 R CA 0.516 56.624 56.100 0.013 0.000 1.049 50 R CB 0.451 30.758 30.300 0.011 0.000 1.119 50 R HN 0.796 nan 8.270 nan 0.000 0.535 51 S N -0.092 115.619 115.700 0.017 0.000 2.588 51 S HA 0.662 5.127 4.470 -0.009 0.000 0.269 51 S C -1.473 173.139 174.600 0.019 0.000 1.157 51 S CA -1.123 57.089 58.200 0.021 0.000 0.824 51 S CB 1.585 64.798 63.200 0.022 0.000 1.126 51 S HN 0.069 nan 8.310 nan 0.000 0.464 52 L N -1.586 119.650 121.223 0.021 0.000 2.540 52 L HA 0.970 5.305 4.340 -0.009 0.000 0.256 52 L C -1.517 175.363 176.870 0.018 0.000 1.001 52 L CA -0.977 53.873 54.840 0.016 0.000 0.843 52 L CB 1.178 43.244 42.059 0.012 0.000 1.436 52 L HN 0.566 nan 8.230 nan 0.000 0.410 53 V N 1.893 121.814 119.914 0.012 0.000 2.628 53 V HA 0.661 4.776 4.120 -0.009 0.000 0.306 53 V C -0.120 175.974 176.094 -0.001 0.000 1.045 53 V CA -0.432 61.874 62.300 0.010 0.000 0.905 53 V CB 1.645 33.474 31.823 0.009 0.000 0.997 53 V HN 0.694 nan 8.190 nan 0.000 0.436 54 L N 2.319 123.537 121.223 -0.008 0.000 2.323 54 L HA 0.628 4.962 4.340 -0.009 0.000 0.265 54 L C -0.559 176.295 176.870 -0.026 0.000 1.012 54 L CA -0.847 53.979 54.840 -0.024 0.000 0.820 54 L CB 2.257 44.288 42.059 -0.045 0.000 1.334 54 L HN 0.539 nan 8.230 nan 0.000 0.427 55 D N 0.978 121.360 120.400 -0.031 0.000 2.264 55 D HA 0.464 5.099 4.640 -0.009 0.000 0.249 55 D C -0.255 176.017 176.300 -0.046 0.000 1.070 55 D CA 0.298 54.281 54.000 -0.029 0.000 0.912 55 D CB 2.059 42.849 40.800 -0.016 0.000 1.193 55 D HN 0.630 nan 8.370 nan 0.000 0.427 56 T N -1.542 112.991 114.554 -0.036 0.000 2.889 56 T HA 0.557 4.901 4.350 -0.009 0.000 0.315 56 T C -0.959 173.731 174.700 -0.017 0.000 1.291 56 T CA -1.081 60.995 62.100 -0.039 0.000 1.028 56 T CB 2.397 71.242 68.868 -0.038 0.000 1.235 56 T HN 0.327 nan 8.240 nan 0.000 0.491 57 K N 1.298 121.695 120.400 -0.005 0.000 2.656 57 K HA 0.390 4.705 4.320 -0.009 0.000 0.253 57 K C -0.964 175.650 176.600 0.023 0.000 1.002 57 K CA -0.459 55.837 56.287 0.014 0.000 0.880 57 K CB 0.680 33.201 32.500 0.035 0.000 1.232 57 K HN 0.762 nan 8.250 nan 0.000 0.456 58 D N 2.683 123.097 120.400 0.023 0.000 2.772 58 D HA -0.208 4.427 4.640 -0.009 0.000 0.233 58 D C -0.409 175.915 176.300 0.040 0.000 1.143 58 D CA 1.087 55.104 54.000 0.028 0.000 0.700 58 D CB -0.709 40.107 40.800 0.027 0.000 1.076 58 D HN 0.435 nan 8.370 nan 0.000 0.430 59 L N -0.151 121.096 121.223 0.042 0.000 2.352 59 L HA 0.431 4.766 4.340 -0.009 0.000 0.269 59 L C 0.907 177.819 176.870 0.069 0.000 1.034 59 L CA -0.385 54.498 54.840 0.071 0.000 0.806 59 L CB 1.674 43.764 42.059 0.052 0.000 1.244 59 L HN -0.201 nan 8.230 nan 0.000 0.447 60 T N 2.898 117.507 114.554 0.092 0.000 2.770 60 T HA 0.489 4.833 4.350 -0.009 0.000 0.283 60 T C -0.234 174.515 174.700 0.082 0.000 0.988 60 T CA -0.390 61.752 62.100 0.068 0.000 0.957 60 T CB 1.126 70.019 68.868 0.042 0.000 0.930 60 T HN 0.143 nan 8.240 nan 0.000 0.443 61 I N 3.238 123.845 120.570 0.062 0.000 2.304 61 I HA 0.282 4.446 4.170 -0.009 0.000 0.291 61 I C 1.342 177.483 176.117 0.040 0.000 1.018 61 I CA -0.315 60.992 61.300 0.012 0.000 1.260 61 I CB 1.274 39.194 38.000 -0.133 0.000 1.390 61 I HN 0.814 nan 8.210 nan 0.000 0.475 62 E N 6.039 126.252 120.200 0.021 0.000 2.140 62 E HA -0.009 4.336 4.350 -0.009 0.000 0.191 62 E C 0.033 176.670 176.600 0.061 0.000 0.973 62 E CA 0.800 57.222 56.400 0.037 0.000 0.829 62 E CB 0.756 30.458 29.700 0.003 0.000 0.781 62 E HN 0.730 nan 8.360 nan 0.000 0.466 63 K N -2.099 118.303 120.400 0.004 0.000 2.736 63 K HA 0.309 4.624 4.320 -0.009 0.000 0.290 63 K C -1.601 174.959 176.600 -0.067 0.000 1.033 63 K CA -0.778 55.529 56.287 0.033 0.000 0.852 63 K CB 1.307 33.847 32.500 0.066 0.000 1.494 63 K HN -0.156 nan 8.250 nan 0.000 0.378 64 V N 1.264 121.168 119.914 -0.015 0.000 2.577 64 V HA 0.518 4.633 4.120 -0.009 0.000 0.303 64 V C -1.033 175.086 176.094 0.041 0.000 1.042 64 V CA -0.776 61.504 62.300 -0.033 0.000 0.872 64 V CB 1.708 33.483 31.823 -0.080 0.000 0.998 64 V HN 0.574 nan 8.190 nan 0.000 0.423 65 V N 6.115 126.045 119.914 0.027 0.000 2.540 65 V HA 0.607 4.721 4.120 -0.009 0.000 0.302 65 V C -0.476 175.638 176.094 0.033 0.000 1.035 65 V CA -0.429 61.893 62.300 0.036 0.000 0.873 65 V CB 2.025 33.867 31.823 0.031 0.000 0.992 65 V HN 0.726 nan 8.190 nan 0.000 0.428 66 I N 4.233 124.825 120.570 0.036 0.000 2.499 66 I HA 0.494 4.659 4.170 -0.009 0.000 0.288 66 I C -0.084 176.051 176.117 0.030 0.000 1.048 66 I CA -0.620 60.699 61.300 0.033 0.000 1.062 66 I CB 2.048 40.068 38.000 0.033 0.000 1.238 66 I HN 0.673 nan 8.210 nan 0.000 0.426 67 N N 4.571 123.288 118.700 0.028 0.000 2.747 67 N HA -0.175 4.559 4.740 -0.009 0.000 0.249 67 N C 0.828 176.352 175.510 0.024 0.000 1.107 67 N CA 1.308 54.372 53.050 0.025 0.000 0.707 67 N CB -1.089 37.411 38.487 0.021 0.000 1.054 67 N HN 1.203 nan 8.380 nan 0.000 0.555 68 G N -1.365 107.450 108.800 0.026 0.000 2.162 68 G HA2 -0.318 3.637 3.960 -0.009 0.000 0.260 68 G HA3 -0.318 3.637 3.960 -0.009 0.000 0.260 68 G C -0.281 174.634 174.900 0.025 0.000 0.976 68 G CA 0.762 45.877 45.100 0.025 0.000 0.655 68 G HN 0.500 nan 8.290 nan 0.000 0.533 69 Q N -0.012 119.805 119.800 0.028 0.000 2.397 69 Q HA 0.464 4.798 4.340 -0.009 0.000 0.275 69 Q C -0.397 175.627 176.000 0.040 0.000 1.090 69 Q CA -0.736 55.085 55.803 0.030 0.000 0.809 69 Q CB 1.683 30.437 28.738 0.027 0.000 1.362 69 Q HN 0.562 nan 8.270 nan 0.000 0.431 70 E N 1.119 121.346 120.200 0.045 0.000 2.360 70 E HA 0.294 4.639 4.350 -0.009 0.000 0.269 70 E C 0.042 176.685 176.600 0.072 0.000 1.022 70 E CA -0.240 56.200 56.400 0.065 0.000 0.887 70 E CB 1.050 30.791 29.700 0.068 0.000 0.990 70 E HN 0.410 nan 8.360 nan 0.000 0.426 71 V N -0.351 119.626 119.914 0.104 0.000 3.113 71 V HA 0.494 4.609 4.120 -0.009 0.000 0.316 71 V C -0.425 175.757 176.094 0.146 0.000 1.125 71 V CA -1.208 61.152 62.300 0.101 0.000 1.026 71 V CB 1.680 33.556 31.823 0.089 0.000 1.080 71 V HN 0.475 nan 8.190 nan 0.000 0.444 72 K N 1.387 121.837 120.400 0.084 0.000 2.218 72 K HA 0.595 4.910 4.320 -0.009 0.000 0.276 72 K C -1.183 175.482 176.600 0.109 0.000 1.022 72 K CA -0.177 56.122 56.287 0.020 0.000 0.946 72 K CB 1.092 33.572 32.500 -0.033 0.000 1.000 72 K HN 0.871 nan 8.250 nan 0.000 0.468 73 Y N -1.837 118.467 120.300 0.007 0.000 2.670 73 Y HA 0.723 5.268 4.550 -0.009 0.000 0.334 73 Y C -1.693 174.210 175.900 0.004 0.000 1.185 73 Y CA -1.444 56.659 58.100 0.006 0.000 1.053 73 Y CB 1.336 39.801 38.460 0.008 0.000 1.298 73 Y HN 0.554 nan 8.280 nan 0.000 0.459 74 A N 1.971 124.871 122.820 0.135 0.000 2.517 74 A HA 0.661 4.976 4.320 -0.009 0.000 0.297 74 A C -2.118 175.544 177.584 0.130 0.000 1.050 74 A CA -0.815 51.244 52.037 0.036 0.000 0.694 74 A CB 1.293 20.276 19.000 -0.027 0.000 1.277 74 A HN 0.817 nan 8.150 nan 0.000 0.400 75 L N 2.743 124.037 121.223 0.118 0.000 2.276 75 L HA 0.526 4.860 4.340 -0.009 0.000 0.286 75 L C 1.203 178.099 176.870 0.044 0.000 1.061 75 L CA -0.477 54.418 54.840 0.092 0.000 0.807 75 L CB 1.382 43.501 42.059 0.100 0.000 1.177 75 L HN 0.958 nan 8.230 nan 0.000 0.429 76 G N 2.355 111.173 108.800 0.030 0.000 2.621 76 G HA2 0.206 4.161 3.960 -0.009 0.000 0.271 76 G HA3 0.206 4.161 3.960 -0.009 0.000 0.271 76 G C -0.228 174.677 174.900 0.008 0.000 1.236 76 G CA -0.533 44.575 45.100 0.013 0.000 0.958 76 G HN 0.767 nan 8.290 nan 0.000 0.512 77 E N -0.594 119.606 120.200 0.001 0.000 2.398 77 E HA 0.210 4.554 4.350 -0.009 0.000 0.263 77 E C 0.402 176.996 176.600 -0.010 0.000 1.046 77 E CA -0.639 55.759 56.400 -0.002 0.000 0.908 77 E CB 0.964 30.661 29.700 -0.004 0.000 0.963 77 E HN 0.477 nan 8.360 nan 0.000 0.431 78 R N 1.939 122.434 120.500 -0.010 0.000 2.623 78 R HA -0.071 4.264 4.340 -0.009 0.000 0.271 78 R C -0.395 175.883 176.300 -0.036 0.000 1.043 78 R CA 0.470 56.558 56.100 -0.020 0.000 1.083 78 R CB 0.524 30.818 30.300 -0.010 0.000 0.974 78 R HN 0.645 nan 8.270 nan 0.000 0.436 79 Q N 3.761 123.520 119.800 -0.068 0.000 2.644 79 Q HA 0.129 4.464 4.340 -0.009 0.000 0.245 79 Q C 0.235 176.136 176.000 -0.165 0.000 1.064 79 Q CA -0.026 55.714 55.803 -0.105 0.000 0.860 79 Q CB 1.455 30.117 28.738 -0.127 0.000 1.145 79 Q HN 1.081 nan 8.270 nan 0.000 0.515 80 S N 0.879 116.528 115.700 -0.084 0.000 4.034 80 S HA -0.412 4.053 4.470 -0.009 0.000 0.539 80 S C 1.196 175.763 174.600 -0.054 0.000 1.535 80 S CA 2.095 60.276 58.200 -0.032 0.000 3.789 80 S CB -1.226 62.005 63.200 0.053 0.000 1.787 80 S HN 0.790 nan 8.310 nan 0.000 0.629 81 Y N 1.123 121.435 120.300 0.020 0.000 2.384 81 Y HA 0.141 4.684 4.550 -0.013 0.000 0.289 81 Y C 2.199 178.105 175.900 0.011 0.000 1.152 81 Y CA 1.208 59.320 58.100 0.020 0.000 1.258 81 Y CB -0.766 37.702 38.460 0.014 0.000 0.979 81 Y HN 0.523 nan 8.280 nan 0.000 0.549 82 K N 1.039 121.061 120.400 -0.631 0.000 2.439 82 K HA 0.207 4.521 4.320 -0.009 0.000 0.197 82 K C 1.293 177.808 176.600 -0.141 0.000 1.041 82 K CA 0.532 56.602 56.287 -0.363 0.000 0.970 82 K CB -0.342 31.902 32.500 -0.427 0.000 0.773 82 K HN 0.644 nan 8.250 nan 0.000 0.479 83 G N 0.604 109.343 108.800 -0.103 0.000 2.584 83 G HA2 -0.225 3.730 3.960 -0.009 0.000 0.229 83 G HA3 -0.225 3.730 3.960 -0.009 0.000 0.229 83 G C -0.776 174.095 174.900 -0.047 0.000 1.320 83 G CA -0.495 44.579 45.100 -0.043 0.000 0.891 83 G HN 0.161 nan 8.290 nan 0.000 0.573 84 S N 2.858 118.544 115.700 -0.024 0.000 2.478 84 S HA 0.709 5.174 4.470 -0.009 0.000 0.312 84 S C -2.417 172.176 174.600 -0.011 0.000 1.094 84 S CA -0.686 57.505 58.200 -0.016 0.000 1.081 84 S CB 2.544 65.745 63.200 0.001 0.000 1.007 84 S HN 0.772 nan 8.310 nan 0.000 0.475 85 P HA 0.135 nan 4.420 nan 0.000 0.271 85 P C -1.021 176.288 177.300 0.016 0.000 1.216 85 P CA -0.318 62.780 63.100 -0.003 0.000 0.771 85 P CB 0.545 32.242 31.700 -0.004 0.000 0.864 86 M N 2.836 122.446 119.600 0.016 0.000 2.043 86 M HA 0.283 4.757 4.480 -0.009 0.000 0.322 86 M C -0.345 175.984 176.300 0.049 0.000 0.962 86 M CA -0.584 54.741 55.300 0.042 0.000 0.927 86 M CB 1.048 33.653 32.600 0.008 0.000 1.466 86 M HN 0.282 nan 8.290 nan 0.000 0.412 87 E N 5.080 125.326 120.200 0.076 0.000 2.227 87 E HA 0.479 4.823 4.350 -0.009 0.000 0.282 87 E C -1.515 175.150 176.600 0.109 0.000 1.015 87 E CA -0.443 55.998 56.400 0.068 0.000 0.823 87 E CB 1.155 30.884 29.700 0.049 0.000 1.081 87 E HN 0.764 nan 8.360 nan 0.000 0.396 88 I N 3.282 123.903 120.570 0.084 0.000 2.436 88 I HA 0.183 4.347 4.170 -0.009 0.000 0.289 88 I C -0.500 175.661 176.117 0.072 0.000 1.010 88 I CA -0.724 60.639 61.300 0.105 0.000 1.098 88 I CB 2.085 40.126 38.000 0.068 0.000 1.266 88 I HN 0.396 nan 8.210 nan 0.000 0.434 89 S N 7.072 122.818 115.700 0.076 0.000 2.439 89 S HA 0.443 4.908 4.470 -0.009 0.000 0.282 89 S C 0.005 174.633 174.600 0.046 0.000 1.170 89 S CA -0.605 57.624 58.200 0.047 0.000 1.054 89 S CB 0.286 63.507 63.200 0.035 0.000 0.956 89 S HN 0.337 nan 8.310 nan 0.000 0.490 90 L N 5.834 127.078 121.223 0.035 0.000 2.416 90 L HA 0.191 4.526 4.340 -0.009 0.000 0.272 90 L C -0.726 176.160 176.870 0.026 0.000 1.161 90 L CA -1.516 53.342 54.840 0.030 0.000 0.845 90 L CB 0.311 42.384 42.059 0.024 0.000 1.119 90 L HN 0.438 nan 8.230 nan 0.000 0.464 91 P HA -0.067 nan 4.420 nan 0.000 0.216 91 P C 0.289 177.599 177.300 0.017 0.000 1.153 91 P CA 1.385 64.498 63.100 0.022 0.000 0.848 91 P CB 0.477 32.191 31.700 0.023 0.000 0.787 92 I N -0.834 119.745 120.570 0.016 0.000 2.646 92 I HA 0.455 4.619 4.170 -0.009 0.000 0.299 92 I C 0.090 176.215 176.117 0.013 0.000 1.036 92 I CA -1.648 59.660 61.300 0.013 0.000 1.074 92 I CB 2.072 40.079 38.000 0.012 0.000 1.258 92 I HN -0.166 nan 8.210 nan 0.000 0.430 93 A N 6.653 129.479 122.820 0.010 0.000 2.440 93 A HA 0.585 4.900 4.320 -0.009 0.000 0.251 93 A C -0.358 177.231 177.584 0.009 0.000 1.089 93 A CA -0.114 51.929 52.037 0.010 0.000 0.779 93 A CB 0.105 19.110 19.000 0.008 0.000 1.022 93 A HN 0.644 nan 8.150 nan 0.000 0.492 94 L N 2.159 123.387 121.223 0.009 0.000 2.334 94 L HA 0.419 4.754 4.340 -0.009 0.000 0.275 94 L C 0.670 177.544 176.870 0.006 0.000 1.036 94 L CA -0.491 54.354 54.840 0.008 0.000 0.807 94 L CB 1.661 43.725 42.059 0.009 0.000 1.231 94 L HN 0.681 nan 8.230 nan 0.000 0.438 95 S N 0.578 116.281 115.700 0.005 0.000 2.669 95 S HA 0.222 4.687 4.470 -0.009 0.000 0.270 95 S C -0.130 174.472 174.600 0.003 0.000 1.225 95 S CA -0.668 57.534 58.200 0.004 0.000 0.991 95 S CB 1.211 64.412 63.200 0.002 0.000 0.987 95 S HN 0.450 nan 8.310 nan 0.000 0.552 96 K N 1.043 121.445 120.400 0.002 0.000 2.448 96 K HA 0.014 4.328 4.320 -0.009 0.000 0.278 96 K C 0.006 176.606 176.600 0.001 0.000 1.009 96 K CA 0.228 56.516 56.287 0.002 0.000 0.995 96 K CB 0.019 32.520 32.500 0.001 0.000 0.917 96 K HN 0.580 nan 8.250 nan 0.000 0.481 97 N N 1.124 119.825 118.700 0.001 0.000 2.936 97 N HA -0.226 4.508 4.740 -0.009 0.000 0.236 97 N C -0.654 174.856 175.510 -0.000 0.000 0.930 97 N CA 0.952 54.001 53.050 -0.001 0.000 0.966 97 N CB -0.868 37.616 38.487 -0.004 0.000 1.090 97 N HN 0.766 nan 8.380 nan 0.000 0.592 98 Q N 0.827 120.628 119.800 0.002 0.000 2.373 98 Q HA 0.246 4.581 4.340 -0.009 0.000 0.255 98 Q C -0.444 175.559 176.000 0.006 0.000 0.980 98 Q CA 0.457 56.262 55.803 0.003 0.000 0.882 98 Q CB 0.652 29.393 28.738 0.004 0.000 1.249 98 Q HN 0.182 nan 8.270 nan 0.000 0.438 99 E N 2.529 122.733 120.200 0.006 0.000 2.277 99 E HA 0.626 4.971 4.350 -0.009 0.000 0.266 99 E C -0.920 175.689 176.600 0.014 0.000 0.901 99 E CA -0.680 55.727 56.400 0.011 0.000 0.782 99 E CB 1.822 31.528 29.700 0.009 0.000 1.228 99 E HN 0.583 nan 8.360 nan 0.000 0.424 100 I N -1.687 118.895 120.570 0.021 0.000 3.004 100 I HA 0.574 4.739 4.170 -0.009 0.000 0.305 100 I C -1.343 174.794 176.117 0.033 0.000 1.312 100 I CA -1.211 60.103 61.300 0.024 0.000 0.992 100 I CB 1.917 39.930 38.000 0.022 0.000 1.282 100 I HN 0.331 nan 8.210 nan 0.000 0.449 101 V N 5.132 125.069 119.914 0.039 0.000 2.417 101 V HA 0.633 4.747 4.120 -0.009 0.000 0.291 101 V C -0.652 175.468 176.094 0.043 0.000 1.024 101 V CA -0.336 61.994 62.300 0.051 0.000 0.861 101 V CB 1.426 33.293 31.823 0.072 0.000 0.985 101 V HN 0.679 nan 8.190 nan 0.000 0.436 102 I N 5.617 126.208 120.570 0.036 0.000 2.312 102 I HA 0.469 4.634 4.170 -0.009 0.000 0.290 102 I C 0.154 176.283 176.117 0.020 0.000 1.008 102 I CA -0.214 61.100 61.300 0.023 0.000 1.226 102 I CB 1.505 39.511 38.000 0.011 0.000 1.371 102 I HN 0.733 nan 8.210 nan 0.000 0.468 103 E N 7.791 128.004 120.200 0.022 0.000 2.046 103 E HA 0.421 4.766 4.350 -0.009 0.000 0.279 103 E C -0.936 175.671 176.600 0.011 0.000 0.989 103 E CA -0.561 55.852 56.400 0.022 0.000 0.798 103 E CB 0.885 30.603 29.700 0.029 0.000 1.086 103 E HN 0.521 nan 8.360 nan 0.000 0.399 104 I N 3.238 123.817 120.570 0.014 0.000 2.331 104 I HA 0.160 4.324 4.170 -0.009 0.000 0.292 104 I C 0.017 176.218 176.117 0.141 0.000 0.998 104 I CA -0.511 60.798 61.300 0.014 0.000 1.267 104 I CB 1.776 39.746 38.000 -0.050 0.000 1.386 104 I HN 0.346 nan 8.210 nan 0.000 0.476 105 S N 6.859 122.609 115.700 0.082 0.000 2.452 105 S HA 0.646 5.111 4.470 -0.009 0.000 0.284 105 S C -0.522 174.145 174.600 0.113 0.000 1.171 105 S CA -0.472 57.766 58.200 0.063 0.000 1.064 105 S CB 0.378 63.574 63.200 -0.007 0.000 0.967 105 S HN 0.464 nan 8.310 nan 0.000 0.484 106 F N 0.509 120.421 119.950 -0.063 0.000 2.715 106 F HA 0.799 5.321 4.527 -0.008 0.000 0.318 106 F C -0.815 174.963 175.800 -0.037 0.000 1.141 106 F CA -1.203 56.762 58.000 -0.058 0.000 0.950 106 F CB 1.246 40.206 39.000 -0.067 0.000 1.374 106 F HN 0.403 nan 8.300 nan 0.000 0.477 107 E N 0.690 120.893 120.200 0.006 0.000 2.308 107 E HA 0.404 4.749 4.350 -0.009 0.000 0.275 107 E C -1.298 175.378 176.600 0.126 0.000 0.890 107 E CA -0.872 55.486 56.400 -0.070 0.000 0.754 107 E CB 2.415 32.077 29.700 -0.064 0.000 1.207 107 E HN 0.921 nan 8.360 nan 0.000 0.426 108 T N -0.011 114.619 114.554 0.127 0.000 2.874 108 T HA 0.343 4.688 4.350 -0.009 0.000 0.281 108 T C 0.414 175.163 174.700 0.081 0.000 0.994 108 T CA -0.708 61.487 62.100 0.159 0.000 1.015 108 T CB 1.625 70.612 68.868 0.199 0.000 1.028 108 T HN 0.229 nan 8.240 nan 0.000 0.523 109 S N 1.095 116.838 115.700 0.072 0.000 2.586 109 S HA 0.365 4.830 4.470 -0.009 0.000 0.274 109 S C -1.752 172.864 174.600 0.027 0.000 1.281 109 S CA -1.670 56.545 58.200 0.026 0.000 1.035 109 S CB 0.498 63.711 63.200 0.022 0.000 0.962 109 S HN 0.579 nan 8.310 nan 0.000 0.512 110 P HA 0.015 nan 4.420 nan 0.000 0.230 110 P C 0.679 177.976 177.300 -0.005 0.000 1.158 110 P CA 0.740 63.760 63.100 -0.133 0.000 0.769 110 P CB 0.110 31.662 31.700 -0.248 0.000 0.807 111 K N -0.207 120.193 120.400 -0.000 0.000 2.404 111 K HA 0.082 4.397 4.320 -0.009 0.000 0.194 111 K C 0.415 177.015 176.600 -0.001 0.000 1.023 111 K CA -0.075 56.211 56.287 -0.003 0.000 1.094 111 K CB -0.090 32.401 32.500 -0.015 0.000 0.841 111 K HN -0.121 nan 8.250 nan 0.000 0.523 112 S N 1.131 116.851 115.700 0.034 0.000 2.702 112 S HA -0.069 4.396 4.470 -0.009 0.000 0.314 112 S C 0.860 175.410 174.600 -0.084 0.000 1.244 112 S CA 0.273 58.478 58.200 0.008 0.000 1.058 112 S CB 0.481 63.712 63.200 0.053 0.000 0.783 112 S HN 0.481 nan 8.310 nan 0.000 0.503 113 S N 3.951 119.583 115.700 -0.114 0.000 2.607 113 S HA 0.149 4.614 4.470 -0.009 0.000 0.224 113 S C 1.454 175.785 174.600 -0.449 0.000 0.969 113 S CA 0.201 58.237 58.200 -0.274 0.000 0.927 113 S CB -0.045 63.022 63.200 -0.222 0.000 0.772 113 S HN 0.860 nan 8.310 nan 0.000 0.533 114 A N 0.785 123.469 122.820 -0.228 0.000 2.115 114 A HA 0.539 4.853 4.320 -0.009 0.000 0.211 114 A C 0.681 178.194 177.584 -0.118 0.000 1.169 114 A CA 0.013 51.972 52.037 -0.129 0.000 0.787 114 A CB 0.037 19.040 19.000 0.005 0.000 0.858 114 A HN 0.478 nan 8.150 nan 0.000 0.474 115 L N -0.609 120.495 121.223 -0.198 0.000 2.333 115 L HA 0.553 4.888 4.340 -0.009 0.000 0.269 115 L C -0.295 176.311 176.870 -0.439 0.000 1.010 115 L CA -0.619 54.037 54.840 -0.306 0.000 0.818 115 L CB 1.859 43.740 42.059 -0.296 0.000 1.306 115 L HN 0.301 nan 8.230 nan 0.000 0.430 116 Q N 1.078 120.497 119.800 -0.634 0.000 2.292 116 Q HA 0.350 4.684 4.340 -0.009 0.000 0.270 116 Q C -2.098 173.643 176.000 -0.432 0.000 1.024 116 Q CA -0.600 54.888 55.803 -0.525 0.000 0.768 116 Q CB 1.724 30.072 28.738 -0.650 0.000 1.250 116 Q HN 0.482 nan 8.270 nan 0.000 0.447 117 W N 4.763 125.985 121.300 -0.130 0.000 2.433 117 W HA 0.553 5.207 4.660 -0.010 0.000 0.315 117 W C -0.802 175.766 176.519 0.082 0.000 1.087 117 W CA -0.439 56.922 57.345 0.026 0.000 1.205 117 W CB 0.992 30.468 29.460 0.028 0.000 1.288 117 W HN 0.425 nan 8.180 nan 0.000 0.504 118 L N 3.501 124.956 121.223 0.387 0.000 2.362 118 L HA 0.534 4.869 4.340 -0.009 0.000 0.275 118 L C 0.714 177.738 176.870 0.258 0.000 0.998 118 L CA -1.102 53.901 54.840 0.271 0.000 0.820 118 L CB 1.549 43.741 42.059 0.221 0.000 1.270 118 L HN 0.457 nan 8.230 nan 0.000 0.415 119 T N -1.099 113.559 114.554 0.174 0.000 2.766 119 T HA 0.188 4.532 4.350 -0.009 0.000 0.295 119 T C -1.921 172.833 174.700 0.091 0.000 1.024 119 T CA -1.292 60.879 62.100 0.119 0.000 1.018 119 T CB 0.895 69.809 68.868 0.077 0.000 1.002 119 T HN 0.336 nan 8.240 nan 0.000 0.532 120 P HA -0.122 nan 4.420 nan 0.000 0.218 120 P C 1.613 178.936 177.300 0.038 0.000 1.148 120 P CA 0.949 64.071 63.100 0.036 0.000 0.822 120 P CB 0.006 31.699 31.700 -0.012 0.000 0.784 121 E N -0.013 120.207 120.200 0.033 0.000 2.204 121 E HA -0.193 4.152 4.350 -0.009 0.000 0.194 121 E C 1.607 178.232 176.600 0.042 0.000 0.989 121 E CA 1.072 57.491 56.400 0.030 0.000 0.824 121 E CB -0.988 28.726 29.700 0.023 0.000 0.756 121 E HN 0.467 nan 8.360 nan 0.000 0.477 122 Q N 1.096 120.929 119.800 0.055 0.000 2.451 122 Q HA 0.016 4.351 4.340 -0.009 0.000 0.206 122 Q C 0.904 176.927 176.000 0.038 0.000 0.947 122 Q CA 0.908 56.747 55.803 0.061 0.000 0.937 122 Q CB 0.230 29.019 28.738 0.085 0.000 1.025 122 Q HN 0.385 nan 8.270 nan 0.000 0.511 123 T N -4.120 110.456 114.554 0.036 0.000 2.893 123 T HA 0.303 4.648 4.350 -0.009 0.000 0.279 123 T C 1.114 175.827 174.700 0.023 0.000 0.991 123 T CA -0.576 61.530 62.100 0.010 0.000 0.950 123 T CB 1.538 70.444 68.868 0.063 0.000 1.223 123 T HN -0.178 nan 8.240 nan 0.000 0.585 124 S N -0.046 115.669 115.700 0.024 0.000 2.377 124 S HA 0.143 4.608 4.470 -0.009 0.000 0.223 124 S C 2.285 176.915 174.600 0.049 0.000 1.030 124 S CA 0.783 59.003 58.200 0.034 0.000 0.970 124 S CB -0.920 62.301 63.200 0.035 0.000 0.830 124 S HN 0.936 nan 8.310 nan 0.000 0.473 125 G N 0.930 109.775 108.800 0.074 0.000 2.448 125 G HA2 -0.077 3.878 3.960 -0.009 0.000 0.218 125 G HA3 -0.077 3.878 3.960 -0.009 0.000 0.218 125 G C 0.452 175.386 174.900 0.057 0.000 1.135 125 G CA 0.605 45.754 45.100 0.082 0.000 0.784 125 G HN 0.272 nan 8.290 nan 0.000 0.543 126 K N -0.952 119.477 120.400 0.049 0.000 3.407 126 K HA -0.184 4.131 4.320 -0.009 0.000 0.312 126 K C 0.785 177.372 176.600 -0.022 0.000 1.302 126 K CA 1.527 57.826 56.287 0.019 0.000 0.931 126 K CB -1.646 30.862 32.500 0.012 0.000 1.257 126 K HN 0.589 nan 8.250 nan 0.000 0.454 127 E N -0.743 119.431 120.200 -0.044 0.000 2.572 127 E HA 0.127 4.472 4.350 -0.009 0.000 0.220 127 E C -0.134 176.175 176.600 -0.485 0.000 0.945 127 E CA -0.038 56.219 56.400 -0.237 0.000 1.070 127 E CB 0.582 30.116 29.700 -0.275 0.000 1.090 127 E HN 0.301 nan 8.360 nan 0.000 0.506 128 H N -0.407 118.659 119.070 -0.008 0.000 2.930 128 H HA 0.255 4.806 4.556 -0.009 0.000 0.371 128 H C -2.546 172.741 175.328 -0.070 0.000 1.169 128 H CA -1.913 54.101 56.048 -0.056 0.000 1.157 128 H CB 1.823 31.560 29.762 -0.042 0.000 1.789 128 H HN -0.038 nan 8.280 nan 0.000 0.547 129 P HA 0.153 nan 4.420 nan 0.000 0.286 129 P C -1.037 176.258 177.300 -0.009 0.000 1.293 129 P CA -0.114 62.906 63.100 -0.135 0.000 0.770 129 P CB 1.621 33.019 31.700 -0.503 0.000 1.206 130 Y N -1.007 119.356 120.300 0.104 0.000 2.558 130 Y HA 0.544 5.089 4.550 -0.009 0.000 0.333 130 Y C -1.706 174.412 175.900 0.363 0.000 1.125 130 Y CA -1.035 57.205 58.100 0.233 0.000 1.039 130 Y CB 1.580 40.142 38.460 0.170 0.000 1.331 130 Y HN 0.296 nan 8.280 nan 0.000 0.456 131 L N 7.058 128.439 121.223 0.263 0.000 2.436 131 L HA 0.800 5.134 4.340 -0.009 0.000 0.268 131 L C -2.055 174.805 176.870 -0.016 0.000 0.974 131 L CA -0.722 54.060 54.840 -0.096 0.000 0.826 131 L CB 1.546 43.251 42.059 -0.590 0.000 1.291 131 L HN 0.475 nan 8.230 nan 0.000 0.406 132 F N 2.031 121.965 119.950 -0.027 0.000 2.613 132 F HA 0.917 5.438 4.527 -0.009 0.000 0.310 132 F C -0.651 175.206 175.800 0.096 0.000 1.085 132 F CA -0.500 57.551 58.000 0.085 0.000 0.945 132 F CB 1.206 40.372 39.000 0.276 0.000 1.298 132 F HN 0.616 nan 8.300 nan 0.000 0.455 133 S N 1.693 117.684 115.700 0.486 0.000 2.704 133 S HA 0.792 5.256 4.470 -0.009 0.000 0.305 133 S C -0.987 173.907 174.600 0.491 0.000 1.107 133 S CA -0.550 57.834 58.200 0.307 0.000 0.993 133 S CB 1.906 65.168 63.200 0.103 0.000 1.110 133 S HN 1.015 nan 8.310 nan 0.000 0.534 134 Q N 0.296 120.282 119.800 0.309 0.000 3.025 134 Q HA 0.385 4.719 4.340 -0.009 0.000 0.216 134 Q C -0.766 175.349 176.000 0.192 0.000 0.828 134 Q CA -0.445 55.528 55.803 0.283 0.000 0.806 134 Q CB 0.074 29.053 28.738 0.402 0.000 1.423 134 Q HN 0.764 nan 8.270 nan 0.000 0.455 135 C N 1.770 121.140 119.300 0.117 0.000 2.495 135 C HA 0.160 4.614 4.460 -0.009 0.000 0.275 135 C C 1.086 176.123 174.990 0.078 0.000 1.392 135 C CA 0.099 59.196 59.018 0.132 0.000 1.766 135 C CB -0.263 27.524 27.740 0.078 0.000 1.933 135 C HN 0.754 nan 8.230 nan 0.000 0.519 136 Q N 0.372 120.181 119.800 0.014 0.000 2.311 136 Q HA 0.334 4.669 4.340 -0.009 0.000 0.272 136 Q C 0.855 176.607 176.000 -0.415 0.000 1.012 136 Q CA 0.206 55.859 55.803 -0.249 0.000 0.891 136 Q CB 0.924 29.502 28.738 -0.265 0.000 1.201 136 Q HN 0.511 nan 8.270 nan 0.000 0.391 137 A N 4.869 127.211 122.820 -0.797 0.000 1.871 137 A HA 0.052 4.366 4.320 -0.009 0.000 0.211 137 A C 1.180 178.330 177.584 -0.723 0.000 1.207 137 A CA 0.756 52.013 52.037 -1.299 0.000 0.620 137 A CB 0.017 17.761 19.000 -2.093 0.000 0.860 137 A HN 0.827 nan 8.150 nan 0.000 0.450 138 I N -4.552 115.604 120.570 -0.689 0.000 3.158 138 I HA 0.429 4.593 4.170 -0.009 0.000 0.344 138 I C 0.165 176.102 176.117 -0.300 0.000 1.459 138 I CA -0.345 60.758 61.300 -0.327 0.000 0.956 138 I CB 0.095 37.981 38.000 -0.190 0.000 1.793 138 I HN 0.112 nan 8.210 nan 0.000 0.522 139 H N -0.196 118.848 119.070 -0.042 0.000 2.622 139 H HA 0.163 4.713 4.556 -0.009 0.000 0.269 139 H C 1.914 177.233 175.328 -0.015 0.000 0.977 139 H CA 0.021 56.057 56.048 -0.020 0.000 1.179 139 H CB 0.462 30.215 29.762 -0.015 0.000 1.458 139 H HN 0.677 nan 8.280 nan 0.000 0.531 140 C N 2.272 121.621 119.300 0.082 0.000 2.411 140 C HA -0.129 4.326 4.460 -0.009 0.000 0.279 140 C C 2.963 177.942 174.990 -0.019 0.000 1.288 140 C CA 1.101 60.130 59.018 0.019 0.000 1.764 140 C CB -0.716 27.024 27.740 0.000 0.000 1.974 140 C HN 0.637 nan 8.230 nan 0.000 0.498 141 R N 0.912 121.410 120.500 -0.003 0.000 2.303 141 R HA -0.015 4.319 4.340 -0.009 0.000 0.225 141 R C 1.635 177.919 176.300 -0.026 0.000 1.114 141 R CA 1.688 57.770 56.100 -0.031 0.000 1.007 141 R CB -0.521 29.773 30.300 -0.010 0.000 0.861 141 R HN 0.504 nan 8.270 nan 0.000 0.471 142 A N 0.432 123.262 122.820 0.017 0.000 2.308 142 A HA 0.284 4.598 4.320 -0.009 0.000 0.217 142 A C 1.631 179.225 177.584 0.016 0.000 1.216 142 A CA -0.079 51.975 52.037 0.028 0.000 0.864 142 A CB 0.077 19.114 19.000 0.062 0.000 0.902 142 A HN 0.329 nan 8.150 nan 0.000 0.499 143 I N -1.122 119.433 120.570 -0.024 0.000 3.565 143 I HA 0.214 4.378 4.170 -0.009 0.000 0.287 143 I C -0.189 175.841 176.117 -0.145 0.000 1.193 143 I CA 0.350 61.641 61.300 -0.014 0.000 1.402 143 I CB 0.649 38.630 38.000 -0.033 0.000 1.284 143 I HN 0.354 nan 8.210 nan 0.000 0.454 144 L N -3.119 117.904 121.223 -0.334 0.000 2.518 144 L HA 0.664 4.999 4.340 -0.009 0.000 0.257 144 L C -3.134 173.458 176.870 -0.464 0.000 0.980 144 L CA -2.011 52.380 54.840 -0.748 0.000 0.837 144 L CB 0.565 42.159 42.059 -0.775 0.000 1.410 144 L HN -0.292 nan 8.230 nan 0.000 0.410 145 P HA 0.371 nan 4.420 nan 0.000 0.268 145 P C -0.845 176.333 177.300 -0.203 0.000 1.204 145 P CA -0.133 62.808 63.100 -0.266 0.000 0.768 145 P CB 0.481 32.034 31.700 -0.244 0.000 0.842 146 C N 0.528 119.752 119.300 -0.127 0.000 3.197 146 C HA 0.271 4.726 4.460 -0.009 0.000 0.343 146 C C -1.033 173.929 174.990 -0.047 0.000 1.291 146 C CA -0.923 58.040 59.018 -0.091 0.000 1.191 146 C CB 0.716 28.393 27.740 -0.104 0.000 1.444 146 C HN 0.466 nan 8.230 nan 0.000 0.468 147 Q N 1.141 120.925 119.800 -0.027 0.000 2.534 147 Q HA 0.162 4.497 4.340 -0.009 0.000 0.223 147 Q C -0.415 175.594 176.000 0.015 0.000 1.239 147 Q CA 0.237 56.037 55.803 -0.004 0.000 0.936 147 Q CB 0.278 29.016 28.738 -0.000 0.000 1.457 147 Q HN 0.599 nan 8.270 nan 0.000 0.547 148 D N 2.359 122.775 120.400 0.026 0.000 2.671 148 D HA 0.011 4.646 4.640 -0.009 0.000 0.228 148 D C -0.781 175.594 176.300 0.125 0.000 1.102 148 D CA 0.403 54.445 54.000 0.069 0.000 1.044 148 D CB 0.060 40.892 40.800 0.054 0.000 1.113 148 D HN 0.294 nan 8.370 nan 0.000 0.480 149 T N 0.282 114.901 114.554 0.109 0.000 2.933 149 T HA 0.396 4.741 4.350 -0.009 0.000 0.305 149 T C -2.416 172.315 174.700 0.051 0.000 1.092 149 T CA -1.655 60.494 62.100 0.081 0.000 1.008 149 T CB 2.121 71.002 68.868 0.023 0.000 1.102 149 T HN -0.105 nan 8.240 nan 0.000 0.469 150 P HA 0.085 nan 4.420 nan 0.000 0.245 150 P C 1.041 178.299 177.300 -0.070 0.000 1.212 150 P CA 0.220 63.297 63.100 -0.039 0.000 0.774 150 P CB -0.046 31.470 31.700 -0.306 0.000 0.999 151 S N -1.734 113.921 115.700 -0.074 0.000 2.562 151 S HA 0.098 4.562 4.470 -0.009 0.000 0.221 151 S C 0.737 175.323 174.600 -0.025 0.000 0.975 151 S CA -0.113 58.053 58.200 -0.058 0.000 0.918 151 S CB -0.527 62.641 63.200 -0.054 0.000 0.772 151 S HN -0.083 nan 8.310 nan 0.000 0.531 152 V N 1.931 121.841 119.914 -0.007 0.000 2.495 152 V HA 0.488 4.603 4.120 -0.009 0.000 0.298 152 V C -0.526 175.575 176.094 0.012 0.000 1.031 152 V CA -0.765 61.538 62.300 0.004 0.000 0.871 152 V CB 1.892 33.720 31.823 0.008 0.000 0.988 152 V HN 0.254 nan 8.190 nan 0.000 0.432 153 K N 5.692 126.103 120.400 0.018 0.000 2.324 153 K HA 0.829 5.144 4.320 -0.009 0.000 0.253 153 K C -1.180 175.443 176.600 0.038 0.000 0.932 153 K CA -0.643 55.661 56.287 0.029 0.000 0.799 153 K CB 2.598 35.125 32.500 0.044 0.000 1.154 153 K HN 0.654 nan 8.250 nan 0.000 0.425 154 L N -1.499 119.754 121.223 0.050 0.000 2.409 154 L HA 0.666 5.000 4.340 -0.009 0.000 0.255 154 L C -0.174 176.758 176.870 0.103 0.000 1.027 154 L CA -0.929 53.952 54.840 0.068 0.000 0.834 154 L CB 1.910 43.998 42.059 0.049 0.000 1.426 154 L HN 0.622 nan 8.230 nan 0.000 0.411 155 T N -1.591 113.044 114.554 0.136 0.000 2.936 155 T HA 0.784 5.128 4.350 -0.009 0.000 0.282 155 T C -0.785 173.986 174.700 0.120 0.000 1.003 155 T CA -0.457 61.739 62.100 0.159 0.000 1.005 155 T CB 1.516 70.512 68.868 0.212 0.000 1.097 155 T HN 1.005 nan 8.240 nan 0.000 0.532 156 Y N -1.690 118.586 120.300 -0.040 0.000 2.624 156 Y HA 0.680 5.225 4.550 -0.009 0.000 0.334 156 Y C -1.040 174.877 175.900 0.028 0.000 1.155 156 Y CA -1.092 56.874 58.100 -0.223 0.000 1.046 156 Y CB 0.957 39.316 38.460 -0.167 0.000 1.316 156 Y HN 1.063 nan 8.280 nan 0.000 0.457 157 T N 0.331 115.056 114.554 0.285 0.000 2.906 157 T HA 0.992 5.336 4.350 -0.009 0.000 0.295 157 T C -0.885 174.112 174.700 0.495 0.000 1.061 157 T CA -0.261 62.021 62.100 0.303 0.000 1.000 157 T CB 1.663 70.657 68.868 0.210 0.000 1.103 157 T HN 1.820 nan 8.240 nan 0.000 0.486 158 A N 1.407 124.514 122.820 0.479 0.000 2.589 158 A HA 0.771 5.085 4.320 -0.009 0.000 0.296 158 A C -1.625 176.220 177.584 0.436 0.000 1.062 158 A CA -0.967 51.351 52.037 0.468 0.000 0.686 158 A CB 1.661 20.926 19.000 0.442 0.000 1.282 158 A HN 0.782 nan 8.150 nan 0.000 0.404 159 E N 0.134 120.531 120.200 0.328 0.000 2.224 159 E HA 0.578 4.923 4.350 -0.009 0.000 0.265 159 E C -1.257 175.480 176.600 0.227 0.000 0.878 159 E CA -0.489 56.063 56.400 0.252 0.000 0.759 159 E CB 2.314 32.124 29.700 0.184 0.000 1.164 159 E HN 0.453 nan 8.360 nan 0.000 0.414 160 V N 1.856 121.935 119.914 0.275 0.000 2.444 160 V HA 0.483 4.597 4.120 -0.009 0.000 0.294 160 V C -0.294 175.927 176.094 0.211 0.000 1.022 160 V CA -0.920 61.519 62.300 0.232 0.000 0.850 160 V CB 1.818 33.807 31.823 0.277 0.000 0.992 160 V HN 0.630 nan 8.190 nan 0.000 0.426 161 S N 4.317 120.099 115.700 0.136 0.000 2.499 161 S HA 0.790 5.255 4.470 -0.009 0.000 0.279 161 S C -0.519 174.172 174.600 0.151 0.000 1.219 161 S CA -0.317 57.956 58.200 0.121 0.000 1.062 161 S CB 1.046 64.288 63.200 0.070 0.000 0.978 161 S HN 1.362 nan 8.310 nan 0.000 0.489 162 V N 2.208 122.238 119.914 0.193 0.000 3.087 162 V HA 0.711 4.826 4.120 -0.009 0.000 0.306 162 V C -3.133 173.093 176.094 0.219 0.000 1.187 162 V CA -2.767 59.673 62.300 0.232 0.000 0.999 162 V CB 1.164 33.153 31.823 0.278 0.000 1.049 162 V HN 0.628 nan 8.190 nan 0.000 0.431 163 P HA 0.031 nan 4.420 nan 0.000 0.261 163 P C 0.796 178.186 177.300 0.150 0.000 1.173 163 P CA 0.515 63.721 63.100 0.178 0.000 0.760 163 P CB 0.450 32.262 31.700 0.186 0.000 0.783 164 K N 4.708 125.174 120.400 0.110 0.000 2.127 164 K HA -0.274 4.040 4.320 -0.009 0.000 0.212 164 K C 1.444 178.097 176.600 0.089 0.000 1.050 164 K CA 1.939 58.277 56.287 0.085 0.000 0.929 164 K CB -0.004 32.531 32.500 0.059 0.000 0.715 164 K HN 0.514 nan 8.250 nan 0.000 0.457 165 E N 0.672 120.914 120.200 0.069 0.000 2.481 165 E HA -0.048 4.297 4.350 -0.009 0.000 0.195 165 E C 0.660 177.218 176.600 -0.070 0.000 1.047 165 E CA 0.258 56.665 56.400 0.010 0.000 0.867 165 E CB -0.062 29.654 29.700 0.026 0.000 0.858 165 E HN 0.360 nan 8.360 nan 0.000 0.513 166 L N 0.495 121.721 121.223 0.005 0.000 2.376 166 L HA 0.489 4.824 4.340 -0.009 0.000 0.267 166 L C -0.172 176.733 176.870 0.057 0.000 1.035 166 L CA -1.257 53.568 54.840 -0.025 0.000 0.800 166 L CB 1.745 43.803 42.059 -0.001 0.000 1.290 166 L HN -0.218 nan 8.230 nan 0.000 0.462 167 V N 0.300 120.156 119.914 -0.097 0.000 2.531 167 V HA 0.636 4.750 4.120 -0.009 0.000 0.301 167 V C -0.201 175.576 176.094 -0.528 0.000 1.034 167 V CA -0.607 61.483 62.300 -0.349 0.000 0.865 167 V CB 1.643 33.340 31.823 -0.211 0.000 0.995 167 V HN 0.824 nan 8.190 nan 0.000 0.424 168 A N 5.837 128.100 122.820 -0.927 0.000 2.312 168 A HA 0.976 5.291 4.320 -0.009 0.000 0.326 168 A C -0.945 176.417 177.584 -0.370 0.000 1.172 168 A CA -0.481 51.268 52.037 -0.481 0.000 0.821 168 A CB 0.902 19.810 19.000 -0.153 0.000 1.166 168 A HN 0.793 nan 8.150 nan 0.000 0.493 169 L N 1.670 122.659 121.223 -0.390 0.000 2.434 169 L HA 0.649 4.984 4.340 -0.009 0.000 0.260 169 L C -0.461 176.055 176.870 -0.590 0.000 0.983 169 L CA -0.295 54.272 54.840 -0.454 0.000 0.820 169 L CB 2.300 43.992 42.059 -0.612 0.000 1.361 169 L HN 0.764 nan 8.230 nan 0.000 0.410 170 M N 0.175 119.331 119.600 -0.739 0.000 2.667 170 M HA 0.309 4.783 4.480 -0.009 0.000 0.286 170 M C -0.054 176.129 176.300 -0.195 0.000 1.270 170 M CA -0.762 54.231 55.300 -0.512 0.000 0.826 170 M CB 2.414 34.549 32.600 -0.775 0.000 1.743 170 M HN 0.548 nan 8.290 nan 0.000 0.460 171 S N 0.388 116.052 115.700 -0.059 0.000 4.053 171 S HA 0.589 5.053 4.470 -0.009 0.000 0.184 171 S C -0.251 174.354 174.600 0.008 0.000 1.324 171 S CA -0.205 57.977 58.200 -0.030 0.000 0.956 171 S CB -1.135 62.025 63.200 -0.066 0.000 1.503 171 S HN 0.734 nan 8.310 nan 0.000 0.440 172 A N 1.881 124.695 122.820 -0.009 0.000 2.511 172 A HA 0.635 4.949 4.320 -0.009 0.000 0.293 172 A C -1.138 176.513 177.584 0.112 0.000 1.098 172 A CA -0.952 51.076 52.037 -0.016 0.000 0.643 172 A CB 0.445 19.353 19.000 -0.153 0.000 1.302 172 A HN 0.356 nan 8.150 nan 0.000 0.446 173 I N 1.185 121.825 120.570 0.117 0.000 2.395 173 I HA 0.292 4.457 4.170 -0.009 0.000 0.289 173 I C 0.785 177.014 176.117 0.187 0.000 1.023 173 I CA -0.105 61.283 61.300 0.146 0.000 1.350 173 I CB 0.725 38.782 38.000 0.095 0.000 1.409 173 I HN 0.642 nan 8.210 nan 0.000 0.507 174 R N 3.489 124.096 120.500 0.178 0.000 2.449 174 R HA 0.024 4.359 4.340 -0.009 0.000 0.296 174 R C -0.113 176.176 176.300 -0.019 0.000 1.047 174 R CA 0.166 56.304 56.100 0.064 0.000 1.018 174 R CB 0.285 30.649 30.300 0.106 0.000 0.962 174 R HN 0.475 nan 8.270 nan 0.000 0.428 175 D N 1.804 122.120 120.400 -0.141 0.000 2.788 175 D HA 0.234 4.869 4.640 -0.009 0.000 0.289 175 D C -0.135 176.101 176.300 -0.108 0.000 1.340 175 D CA 0.478 54.426 54.000 -0.087 0.000 0.831 175 D CB 0.411 41.173 40.800 -0.064 0.000 1.103 175 D HN 0.747 nan 8.370 nan 0.000 0.476 176 G N 0.752 109.487 108.800 -0.108 0.000 2.541 176 G HA2 0.095 4.050 3.960 -0.009 0.000 0.686 176 G HA3 0.095 4.050 3.960 -0.009 0.000 0.686 176 G C -0.984 173.830 174.900 -0.144 0.000 1.286 176 G CA -0.438 44.607 45.100 -0.092 0.000 0.894 176 G HN 0.358 nan 8.290 nan 0.000 0.575 177 E N -1.913 118.192 120.200 -0.159 0.000 2.413 177 E HA 0.834 5.179 4.350 -0.009 0.000 0.277 177 E C -0.412 176.049 176.600 -0.231 0.000 0.958 177 E CA -0.464 55.748 56.400 -0.313 0.000 0.779 177 E CB 2.421 31.827 29.700 -0.491 0.000 1.278 177 E HN 1.730 nan 8.360 nan 0.000 0.456 178 T N -1.987 112.414 114.554 -0.255 0.000 2.786 178 T HA 0.477 4.822 4.350 -0.009 0.000 0.316 178 T C -3.076 171.536 174.700 -0.146 0.000 1.503 178 T CA -1.749 60.259 62.100 -0.153 0.000 1.019 178 T CB 1.097 69.908 68.868 -0.095 0.000 1.415 178 T HN 0.268 nan 8.240 nan 0.000 0.496 179 P HA 0.300 nan 4.420 nan 0.000 0.271 179 P C -0.814 176.458 177.300 -0.046 0.000 1.218 179 P CA -0.169 62.894 63.100 -0.063 0.000 0.780 179 P CB 0.319 31.997 31.700 -0.037 0.000 0.901 180 D N 3.391 123.774 120.400 -0.028 0.000 2.338 180 D HA 0.079 4.714 4.640 -0.009 0.000 0.255 180 D C -1.529 174.769 176.300 -0.005 0.000 1.237 180 D CA -1.966 52.028 54.000 -0.011 0.000 0.883 180 D CB 0.421 41.225 40.800 0.007 0.000 1.087 180 D HN 0.104 nan 8.370 nan 0.000 0.485 181 P HA -0.151 nan 4.420 nan 0.000 0.217 181 P C 0.433 177.734 177.300 0.002 0.000 1.148 181 P CA 1.150 64.249 63.100 -0.002 0.000 0.828 181 P CB 0.108 31.808 31.700 -0.001 0.000 0.783 182 E N -1.377 118.825 120.200 0.004 0.000 2.403 182 E HA 0.105 4.449 4.350 -0.009 0.000 0.188 182 E C -0.148 176.457 176.600 0.008 0.000 1.056 182 E CA -0.039 56.364 56.400 0.005 0.000 0.892 182 E CB -0.328 29.374 29.700 0.004 0.000 1.049 182 E HN 0.029 nan 8.360 nan 0.000 0.465 183 D N 0.039 120.445 120.400 0.010 0.000 2.676 183 D HA 0.037 4.671 4.640 -0.009 0.000 0.170 183 D C -2.366 173.944 176.300 0.017 0.000 1.202 183 D CA -1.160 52.849 54.000 0.015 0.000 1.364 183 D CB 0.834 41.647 40.800 0.021 0.000 1.411 183 D HN -0.203 nan 8.370 nan 0.000 0.664 184 P HA -0.167 nan 4.420 nan 0.000 0.219 184 P C 1.223 178.535 177.300 0.020 0.000 1.145 184 P CA 1.433 64.541 63.100 0.013 0.000 0.813 184 P CB 0.186 31.893 31.700 0.012 0.000 0.771 185 S N -2.429 113.288 115.700 0.029 0.000 2.650 185 S HA 0.114 4.579 4.470 -0.009 0.000 0.219 185 S C 0.734 175.366 174.600 0.054 0.000 0.960 185 S CA -0.169 58.056 58.200 0.041 0.000 0.925 185 S CB -0.409 62.819 63.200 0.046 0.000 0.775 185 S HN 0.060 nan 8.310 nan 0.000 0.525 186 R N -0.073 120.454 120.500 0.045 0.000 2.912 186 R HA 0.650 4.985 4.340 -0.009 0.000 0.262 186 R C -1.010 175.303 176.300 0.023 0.000 1.057 186 R CA -0.900 55.234 56.100 0.056 0.000 0.981 186 R CB 1.407 31.745 30.300 0.064 0.000 1.201 186 R HN 0.072 nan 8.270 nan 0.000 0.484 187 K N 0.865 121.280 120.400 0.026 0.000 2.385 187 K HA 0.461 4.775 4.320 -0.009 0.000 0.248 187 K C -1.380 175.176 176.600 -0.073 0.000 0.955 187 K CA -0.943 55.294 56.287 -0.085 0.000 0.816 187 K CB 2.022 34.420 32.500 -0.171 0.000 1.250 187 K HN 0.322 nan 8.250 nan 0.000 0.434 188 I N 2.307 122.772 120.570 -0.175 0.000 2.389 188 I HA 0.312 4.477 4.170 -0.009 0.000 0.288 188 I C -1.776 174.212 176.117 -0.215 0.000 0.999 188 I CA -0.396 60.856 61.300 -0.080 0.000 1.129 188 I CB 0.609 38.586 38.000 -0.039 0.000 1.288 188 I HN 0.440 nan 8.210 nan 0.000 0.444 189 Y N 6.430 126.732 120.300 0.004 0.000 2.330 189 Y HA 0.580 5.125 4.550 -0.009 0.000 0.336 189 Y C 0.055 175.777 175.900 -0.296 0.000 1.036 189 Y CA -0.314 57.701 58.100 -0.140 0.000 1.125 189 Y CB 1.469 39.928 38.460 -0.003 0.000 1.194 189 Y HN 0.415 nan 8.280 nan 0.000 0.469 190 K N 3.497 123.642 120.400 -0.425 0.000 2.156 190 K HA 0.707 5.021 4.320 -0.009 0.000 0.254 190 K C -1.606 174.505 176.600 -0.814 0.000 0.950 190 K CA -0.608 55.457 56.287 -0.371 0.000 0.849 190 K CB 1.533 33.942 32.500 -0.152 0.000 1.100 190 K HN 0.391 nan 8.250 nan 0.000 0.434 191 F N 1.371 121.386 119.950 0.108 0.000 2.613 191 F HA 0.571 5.093 4.527 -0.008 0.000 0.310 191 F C -0.673 175.134 175.800 0.012 0.000 1.085 191 F CA -1.021 57.019 58.000 0.067 0.000 0.945 191 F CB 1.585 40.646 39.000 0.102 0.000 1.298 191 F HN 0.313 nan 8.300 nan 0.000 0.455 192 I N 2.027 122.664 120.570 0.113 0.000 2.644 192 I HA 0.463 4.628 4.170 -0.009 0.000 0.291 192 I C -1.796 174.228 176.117 -0.155 0.000 1.180 192 I CA -0.514 60.766 61.300 -0.034 0.000 1.040 192 I CB 1.788 39.787 38.000 -0.002 0.000 1.255 192 I HN 0.603 nan 8.210 nan 0.000 0.422 193 Q N 6.435 126.026 119.800 -0.348 0.000 2.381 193 Q HA 0.399 4.734 4.340 -0.009 0.000 0.263 193 Q C -0.595 175.324 176.000 -0.134 0.000 1.030 193 Q CA -0.280 55.334 55.803 -0.315 0.000 0.772 193 Q CB 1.699 30.013 28.738 -0.707 0.000 1.232 193 Q HN 0.675 nan 8.270 nan 0.000 0.476 194 K N 1.748 122.108 120.400 -0.067 0.000 2.361 194 K HA 0.175 4.489 4.320 -0.009 0.000 0.196 194 K C -0.081 176.467 176.600 -0.087 0.000 1.039 194 K CA 0.233 56.483 56.287 -0.063 0.000 1.001 194 K CB 0.712 33.165 32.500 -0.078 0.000 0.795 194 K HN 0.311 nan 8.250 nan 0.000 0.495 195 V N 3.738 123.607 119.914 -0.075 0.000 2.432 195 V HA 0.153 4.267 4.120 -0.009 0.000 0.275 195 V C -2.379 173.736 176.094 0.035 0.000 1.043 195 V CA -2.314 59.910 62.300 -0.127 0.000 0.925 195 V CB 0.936 32.514 31.823 -0.410 0.000 0.985 195 V HN 0.004 nan 8.190 nan 0.000 0.466 196 P HA 0.210 nan 4.420 nan 0.000 0.264 196 P C -0.554 176.840 177.300 0.156 0.000 1.193 196 P CA 0.396 63.542 63.100 0.078 0.000 0.763 196 P CB 0.232 31.954 31.700 0.036 0.000 0.810 197 I N 0.563 121.208 120.570 0.125 0.000 2.894 197 I HA 0.684 4.849 4.170 -0.009 0.000 0.302 197 I C -2.869 173.242 176.117 -0.009 0.000 1.188 197 I CA -3.396 57.953 61.300 0.082 0.000 1.014 197 I CB 2.833 40.878 38.000 0.075 0.000 1.242 197 I HN 0.064 nan 8.210 nan 0.000 0.430 198 P HA 0.066 nan 4.420 nan 0.000 0.275 198 P C 0.901 178.107 177.300 -0.156 0.000 1.228 198 P CA -0.308 62.733 63.100 -0.097 0.000 0.786 198 P CB 1.190 32.829 31.700 -0.102 0.000 0.927 199 C N 1.095 120.372 119.300 -0.038 0.000 2.422 199 C HA -0.121 4.334 4.460 -0.009 0.000 0.286 199 C C 2.543 177.515 174.990 -0.030 0.000 1.412 199 C CA 0.370 59.358 59.018 -0.050 0.000 1.786 199 C CB -2.618 25.109 27.740 -0.021 0.000 1.835 199 C HN 0.640 nan 8.230 nan 0.000 0.533 200 Y N 0.777 121.106 120.300 0.049 0.000 2.574 200 Y HA 0.267 4.812 4.550 -0.008 0.000 0.294 200 Y C 1.776 177.664 175.900 -0.019 0.000 1.142 200 Y CA 0.515 58.644 58.100 0.049 0.000 1.314 200 Y CB -0.877 37.699 38.460 0.193 0.000 0.991 200 Y HN 0.277 nan 8.280 nan 0.000 0.555 201 L N 0.815 121.768 121.223 -0.451 0.000 2.592 201 L HA 0.207 4.541 4.340 -0.009 0.000 0.227 201 L C 0.453 177.195 176.870 -0.213 0.000 1.127 201 L CA -0.112 54.498 54.840 -0.383 0.000 0.884 201 L CB -0.035 41.731 42.059 -0.488 0.000 1.065 201 L HN 0.168 nan 8.230 nan 0.000 0.457 202 I N 1.148 121.609 120.570 -0.181 0.000 2.533 202 I HA 0.154 4.319 4.170 -0.009 0.000 0.284 202 I C 0.429 176.430 176.117 -0.193 0.000 1.109 202 I CA 0.130 61.299 61.300 -0.219 0.000 1.412 202 I CB 0.738 38.540 38.000 -0.330 0.000 1.396 202 I HN 0.047 nan 8.210 nan 0.000 0.543 203 A N 7.246 129.959 122.820 -0.179 0.000 2.539 203 A HA 0.876 5.190 4.320 -0.009 0.000 0.296 203 A C -1.532 176.001 177.584 -0.085 0.000 1.073 203 A CA -0.497 51.444 52.037 -0.159 0.000 0.700 203 A CB 1.973 20.751 19.000 -0.370 0.000 1.296 203 A HN 0.565 nan 8.150 nan 0.000 0.405 204 L N 1.485 122.715 121.223 0.013 0.000 2.455 204 L HA 0.850 5.184 4.340 -0.009 0.000 0.264 204 L C -1.576 175.310 176.870 0.026 0.000 0.968 204 L CA -0.546 54.260 54.840 -0.056 0.000 0.827 204 L CB 2.051 44.031 42.059 -0.132 0.000 1.317 204 L HN 1.119 nan 8.230 nan 0.000 0.407 205 V N 5.355 125.198 119.914 -0.118 0.000 2.841 205 V HA 0.862 4.977 4.120 -0.009 0.000 0.310 205 V C -1.700 174.201 176.094 -0.321 0.000 1.090 205 V CA -0.312 61.865 62.300 -0.205 0.000 0.930 205 V CB 2.411 34.025 31.823 -0.347 0.000 1.014 205 V HN 0.615 nan 8.190 nan 0.000 0.425 206 V N 6.000 125.695 119.914 -0.366 0.000 2.569 206 V HA 1.005 5.120 4.120 -0.009 0.000 0.301 206 V C 0.365 176.215 176.094 -0.407 0.000 1.044 206 V CA 0.469 62.609 62.300 -0.267 0.000 0.874 206 V CB 1.077 32.889 31.823 -0.019 0.000 1.002 206 V HN 1.346 nan 8.190 nan 0.000 0.424 207 G N 2.739 111.291 108.800 -0.413 0.000 2.488 207 G HA2 0.627 4.581 3.960 -0.009 0.000 0.301 207 G HA3 0.627 4.581 3.960 -0.009 0.000 0.301 207 G C -0.930 173.875 174.900 -0.158 0.000 1.339 207 G CA -0.099 44.777 45.100 -0.373 0.000 0.803 207 G HN 1.028 nan 8.290 nan 0.000 0.482 208 A N 0.527 123.326 122.820 -0.034 0.000 2.915 208 A HA 0.612 4.926 4.320 -0.009 0.000 0.292 208 A C 0.237 177.854 177.584 0.055 0.000 1.632 208 A CA -0.032 51.972 52.037 -0.054 0.000 1.337 208 A CB -0.969 17.990 19.000 -0.069 0.000 1.111 208 A HN 0.494 nan 8.150 nan 0.000 0.569 209 L N 1.154 122.407 121.223 0.050 0.000 2.343 209 L HA 0.535 4.870 4.340 -0.009 0.000 0.275 209 L C 0.393 177.401 176.870 0.231 0.000 1.056 209 L CA -0.296 54.640 54.840 0.160 0.000 0.804 209 L CB 1.498 43.639 42.059 0.137 0.000 1.203 209 L HN 0.621 nan 8.230 nan 0.000 0.440 210 E N 0.342 120.687 120.200 0.241 0.000 2.393 210 E HA 0.537 4.882 4.350 -0.009 0.000 0.273 210 E C -1.314 175.272 176.600 -0.023 0.000 0.918 210 E CA -0.561 55.913 56.400 0.123 0.000 0.773 210 E CB 2.585 32.318 29.700 0.055 0.000 1.275 210 E HN 0.650 nan 8.360 nan 0.000 0.451 211 S N 1.355 116.858 115.700 -0.328 0.000 2.667 211 S HA 0.802 5.267 4.470 -0.009 0.000 0.292 211 S C -0.850 173.516 174.600 -0.389 0.000 1.126 211 S CA -0.964 56.826 58.200 -0.685 0.000 0.881 211 S CB 2.294 64.495 63.200 -1.665 0.000 1.132 211 S HN 0.545 nan 8.310 nan 0.000 0.492 212 R N 0.522 120.809 120.500 -0.356 0.000 2.535 212 R HA 0.359 4.693 4.340 -0.009 0.000 0.274 212 R C -1.532 174.670 176.300 -0.164 0.000 1.090 212 R CA -0.367 55.619 56.100 -0.189 0.000 0.930 212 R CB 1.704 31.946 30.300 -0.096 0.000 1.223 212 R HN 0.878 nan 8.270 nan 0.000 0.441 213 Q N 4.465 124.199 119.800 -0.110 0.000 2.314 213 Q HA 0.289 4.624 4.340 -0.009 0.000 0.258 213 Q C 0.298 176.290 176.000 -0.014 0.000 0.954 213 Q CA -0.073 55.693 55.803 -0.061 0.000 0.890 213 Q CB 0.903 29.618 28.738 -0.039 0.000 1.210 213 Q HN 0.766 nan 8.270 nan 0.000 0.410 214 I N 0.016 120.595 120.570 0.015 0.000 4.338 214 I HA 0.617 4.781 4.170 -0.009 0.000 0.329 214 I C 0.283 176.429 176.117 0.048 0.000 1.378 214 I CA -0.348 60.976 61.300 0.040 0.000 1.170 214 I CB 0.994 39.036 38.000 0.071 0.000 1.206 214 I HN 0.531 nan 8.210 nan 0.000 0.432 215 G N 1.511 110.339 108.800 0.046 0.000 2.523 215 G HA2 0.370 4.325 3.960 -0.009 0.000 0.291 215 G HA3 0.370 4.325 3.960 -0.009 0.000 0.291 215 G C -2.735 172.193 174.900 0.047 0.000 1.450 215 G CA -0.428 44.701 45.100 0.048 0.000 0.790 215 G HN -0.225 nan 8.290 nan 0.000 0.496 216 P HA -0.065 nan 4.420 nan 0.000 0.222 216 P C 0.816 178.156 177.300 0.065 0.000 1.147 216 P CA 0.908 64.037 63.100 0.048 0.000 0.790 216 P CB 0.233 31.959 31.700 0.043 0.000 0.780 217 R N -1.987 118.559 120.500 0.078 0.000 2.616 217 R HA 0.367 4.701 4.340 -0.009 0.000 0.427 217 R C -0.708 175.673 176.300 0.136 0.000 1.030 217 R CA -0.337 55.828 56.100 0.109 0.000 1.133 217 R CB -0.109 30.259 30.300 0.114 0.000 1.444 217 R HN -0.188 nan 8.270 nan 0.000 0.578 218 T N 1.492 116.113 114.554 0.113 0.000 2.928 218 T HA 0.468 4.812 4.350 -0.009 0.000 0.296 218 T C -1.372 173.367 174.700 0.066 0.000 1.000 218 T CA -0.533 61.641 62.100 0.123 0.000 0.989 218 T CB 1.970 70.935 68.868 0.162 0.000 1.005 218 T HN -0.034 nan 8.240 nan 0.000 0.442 219 L N 3.039 124.291 121.223 0.049 0.000 2.346 219 L HA 0.697 5.032 4.340 -0.009 0.000 0.274 219 L C -0.396 176.425 176.870 -0.082 0.000 1.007 219 L CA -0.757 54.028 54.840 -0.092 0.000 0.818 219 L CB 2.077 44.002 42.059 -0.224 0.000 1.284 219 L HN 0.435 nan 8.230 nan 0.000 0.424 220 V N 1.768 121.597 119.914 -0.142 0.000 2.472 220 V HA 0.437 4.552 4.120 -0.009 0.000 0.290 220 V C -1.050 174.952 176.094 -0.153 0.000 1.037 220 V CA -0.555 61.733 62.300 -0.019 0.000 0.908 220 V CB 1.424 33.301 31.823 0.091 0.000 0.985 220 V HN 0.677 nan 8.190 nan 0.000 0.454 221 W N 2.959 124.256 121.300 -0.004 0.000 2.736 221 W HA 0.771 5.426 4.660 -0.009 0.000 0.335 221 W C 0.167 176.675 176.519 -0.018 0.000 1.059 221 W CA -0.182 57.151 57.345 -0.020 0.000 1.226 221 W CB 2.026 31.447 29.460 -0.064 0.000 1.416 221 W HN 0.735 nan 8.180 nan 0.000 0.505 222 S N -0.421 115.429 115.700 0.251 0.000 2.660 222 S HA 0.327 4.791 4.470 -0.009 0.000 0.264 222 S C -1.062 173.637 174.600 0.166 0.000 1.131 222 S CA -1.286 57.018 58.200 0.172 0.000 0.846 222 S CB 1.028 64.302 63.200 0.123 0.000 1.151 222 S HN 0.483 nan 8.310 nan 0.000 0.486 223 E N 0.830 121.118 120.200 0.147 0.000 2.392 223 E HA 0.190 4.535 4.350 -0.009 0.000 0.256 223 E C 0.960 177.617 176.600 0.094 0.000 1.145 223 E CA -0.386 56.094 56.400 0.133 0.000 0.929 223 E CB 0.580 30.354 29.700 0.123 0.000 0.998 223 E HN 0.662 nan 8.360 nan 0.000 0.442 224 K N 1.600 122.050 120.400 0.083 0.000 2.052 224 K HA -0.242 4.073 4.320 -0.009 0.000 0.215 224 K C 1.525 178.154 176.600 0.048 0.000 1.053 224 K CA 2.065 58.388 56.287 0.060 0.000 0.934 224 K CB 0.017 32.552 32.500 0.058 0.000 0.717 224 K HN 0.462 nan 8.250 nan 0.000 0.450 225 E N 0.096 120.325 120.200 0.049 0.000 2.472 225 E HA -0.183 4.161 4.350 -0.009 0.000 0.200 225 E C 1.192 177.813 176.600 0.034 0.000 1.046 225 E CA 0.989 57.411 56.400 0.037 0.000 0.871 225 E CB 0.055 29.775 29.700 0.034 0.000 0.806 225 E HN 0.441 nan 8.360 nan 0.000 0.533 226 Q N -0.045 119.782 119.800 0.045 0.000 2.281 226 Q HA 0.162 4.497 4.340 -0.009 0.000 0.215 226 Q C 2.028 178.059 176.000 0.052 0.000 0.867 226 Q CA 0.084 55.915 55.803 0.047 0.000 0.940 226 Q CB 0.601 29.375 28.738 0.059 0.000 1.111 226 Q HN 0.063 nan 8.270 nan 0.000 0.513 227 V N 1.003 120.946 119.914 0.048 0.000 2.231 227 V HA -0.349 3.765 4.120 -0.009 0.000 0.248 227 V C 2.167 178.281 176.094 0.034 0.000 1.054 227 V CA 2.447 64.771 62.300 0.040 0.000 1.015 227 V CB -0.436 31.398 31.823 0.019 0.000 0.638 227 V HN 0.481 nan 8.190 nan 0.000 0.444 228 E N 0.050 120.263 120.200 0.023 0.000 2.058 228 E HA -0.321 4.024 4.350 -0.009 0.000 0.194 228 E C 2.286 178.903 176.600 0.028 0.000 0.997 228 E CA 1.942 58.354 56.400 0.021 0.000 0.801 228 E CB -0.118 29.585 29.700 0.006 0.000 0.746 228 E HN 0.560 nan 8.360 nan 0.000 0.450 229 K N 0.016 120.423 120.400 0.011 0.000 2.057 229 K HA -0.102 4.213 4.320 -0.009 0.000 0.207 229 K C 2.168 178.748 176.600 -0.033 0.000 1.049 229 K CA 1.763 58.048 56.287 -0.003 0.000 0.931 229 K CB -0.040 32.451 32.500 -0.014 0.000 0.714 229 K HN -0.027 nan 8.250 nan 0.000 0.440 230 S N 0.393 116.082 115.700 -0.020 0.000 2.368 230 S HA -0.099 4.365 4.470 -0.009 0.000 0.224 230 S C 2.035 176.620 174.600 -0.025 0.000 1.029 230 S CA 1.010 59.176 58.200 -0.056 0.000 0.988 230 S CB -0.313 63.006 63.200 0.199 0.000 0.838 230 S HN 0.525 nan 8.310 nan 0.000 0.462 231 A N 0.480 123.336 122.820 0.061 0.000 1.940 231 A HA -0.142 4.173 4.320 -0.009 0.000 0.219 231 A C 1.970 179.589 177.584 0.059 0.000 1.176 231 A CA 1.621 53.707 52.037 0.082 0.000 0.631 231 A CB -0.817 18.222 19.000 0.064 0.000 0.814 231 A HN 0.613 nan 8.150 nan 0.000 0.446 232 Y N 0.144 120.401 120.300 -0.071 0.000 2.206 232 Y HA -0.060 4.485 4.550 -0.009 0.000 0.292 232 Y C 2.295 178.116 175.900 -0.131 0.000 1.123 232 Y CA 1.990 60.047 58.100 -0.071 0.000 1.142 232 Y CB -0.284 38.135 38.460 -0.069 0.000 1.006 232 Y HN 0.356 nan 8.280 nan 0.000 0.518 233 E N -0.011 120.059 120.200 -0.217 0.000 2.171 233 E HA -0.192 4.152 4.350 -0.009 0.000 0.197 233 E C 0.713 176.996 176.600 -0.530 0.000 0.997 233 E CA 1.648 57.745 56.400 -0.504 0.000 0.810 233 E CB -0.374 28.784 29.700 -0.904 0.000 0.738 233 E HN 0.480 nan 8.360 nan 0.000 0.467 234 F N -0.473 119.485 119.950 0.012 0.000 2.708 234 F HA 0.251 4.773 4.527 -0.009 0.000 0.300 234 F C 1.679 177.483 175.800 0.008 0.000 1.118 234 F CA 0.136 58.157 58.000 0.035 0.000 1.307 234 F CB -0.272 38.775 39.000 0.078 0.000 0.986 234 F HN -0.033 nan 8.300 nan 0.000 0.522 235 S N -0.838 114.877 115.700 0.025 0.000 2.469 235 S HA -0.186 4.279 4.470 -0.009 0.000 0.238 235 S C 1.411 176.026 174.600 0.024 0.000 0.998 235 S CA 1.126 59.321 58.200 -0.008 0.000 0.957 235 S CB -0.420 62.697 63.200 -0.139 0.000 0.764 235 S HN 0.531 nan 8.310 nan 0.000 0.514 236 E N 0.834 121.066 120.200 0.053 0.000 2.502 236 E HA 0.032 4.377 4.350 -0.009 0.000 0.194 236 E C 1.491 178.134 176.600 0.072 0.000 1.062 236 E CA 0.553 56.986 56.400 0.055 0.000 0.867 236 E CB -0.249 29.502 29.700 0.085 0.000 0.888 236 E HN 0.538 nan 8.360 nan 0.000 0.510 237 T N 1.261 115.884 114.554 0.115 0.000 2.597 237 T HA -0.264 4.080 4.350 -0.009 0.000 0.267 237 T C 1.795 176.516 174.700 0.036 0.000 1.053 237 T CA 1.857 64.023 62.100 0.110 0.000 1.165 237 T CB -0.194 68.789 68.868 0.191 0.000 0.863 237 T HN 0.174 nan 8.240 nan 0.000 0.427 238 E N 1.400 121.624 120.200 0.039 0.000 2.085 238 E HA -0.136 4.209 4.350 -0.009 0.000 0.194 238 E C 2.391 178.982 176.600 -0.014 0.000 0.994 238 E CA 1.846 58.249 56.400 0.005 0.000 0.801 238 E CB -0.509 29.203 29.700 0.019 0.000 0.743 238 E HN 0.562 nan 8.360 nan 0.000 0.453 239 S N -0.328 115.367 115.700 -0.009 0.000 2.382 239 S HA -0.202 4.263 4.470 -0.009 0.000 0.228 239 S C 2.135 176.714 174.600 -0.035 0.000 1.027 239 S CA 1.533 59.718 58.200 -0.025 0.000 0.991 239 S CB -0.440 62.739 63.200 -0.035 0.000 0.823 239 S HN 0.326 nan 8.310 nan 0.000 0.469 240 M N 0.774 120.359 119.600 -0.026 0.000 2.175 240 M HA 0.050 4.525 4.480 -0.009 0.000 0.264 240 M C 2.280 178.550 176.300 -0.051 0.000 1.063 240 M CA 1.228 56.511 55.300 -0.028 0.000 1.119 240 M CB -0.652 31.951 32.600 0.006 0.000 1.377 240 M HN 0.308 nan 8.290 nan 0.000 0.415 241 L N 0.219 121.395 121.223 -0.078 0.000 2.017 241 L HA -0.246 4.089 4.340 -0.009 0.000 0.208 241 L C 2.502 179.360 176.870 -0.020 0.000 1.073 241 L CA 1.523 56.306 54.840 -0.094 0.000 0.745 241 L CB -0.472 41.474 42.059 -0.189 0.000 0.894 241 L HN 0.284 nan 8.230 nan 0.000 0.432 242 K N -0.076 120.309 120.400 -0.026 0.000 2.097 242 K HA -0.157 4.158 4.320 -0.009 0.000 0.206 242 K C 2.009 178.588 176.600 -0.034 0.000 1.049 242 K CA 1.304 57.585 56.287 -0.010 0.000 0.933 242 K CB -0.163 32.330 32.500 -0.011 0.000 0.717 242 K HN 0.277 nan 8.250 nan 0.000 0.442 243 I N 0.865 121.403 120.570 -0.054 0.000 2.252 243 I HA -0.242 3.923 4.170 -0.009 0.000 0.245 243 I C 2.497 178.531 176.117 -0.139 0.000 1.102 243 I CA 0.919 62.174 61.300 -0.074 0.000 1.385 243 I CB -0.338 37.626 38.000 -0.060 0.000 1.064 243 I HN 0.128 nan 8.210 nan 0.000 0.414 244 A N 0.552 123.269 122.820 -0.172 0.000 1.908 244 A HA -0.244 4.071 4.320 -0.009 0.000 0.218 244 A C 2.208 179.405 177.584 -0.645 0.000 1.181 244 A CA 1.792 53.580 52.037 -0.415 0.000 0.627 244 A CB -0.616 18.194 19.000 -0.316 0.000 0.818 244 A HN 0.449 nan 8.150 nan 0.000 0.445 245 E N -0.717 119.337 120.200 -0.243 0.000 2.110 245 E HA -0.233 4.111 4.350 -0.009 0.000 0.193 245 E C 1.728 178.252 176.600 -0.127 0.000 0.988 245 E CA 1.234 57.608 56.400 -0.043 0.000 0.804 245 E CB -0.198 29.602 29.700 0.168 0.000 0.745 245 E HN 0.736 nan 8.360 nan 0.000 0.458 246 D N 0.072 120.399 120.400 -0.122 0.000 2.178 246 D HA -0.147 4.488 4.640 -0.009 0.000 0.202 246 D C 1.670 177.880 176.300 -0.149 0.000 0.974 246 D CA 0.719 54.659 54.000 -0.099 0.000 0.841 246 D CB 0.160 40.918 40.800 -0.070 0.000 0.953 246 D HN 0.003 nan 8.370 nan 0.000 0.478 247 L N -0.449 120.632 121.223 -0.237 0.000 2.127 247 L HA 0.285 4.620 4.340 -0.009 0.000 0.203 247 L C 2.393 179.072 176.870 -0.318 0.000 1.080 247 L CA 1.697 56.388 54.840 -0.249 0.000 0.768 247 L CB -0.859 41.051 42.059 -0.249 0.000 0.924 247 L HN 0.258 nan 8.230 nan 0.000 0.444 248 G N -2.211 106.246 108.800 -0.571 0.000 3.192 248 G HA2 0.475 4.430 3.960 -0.009 0.000 0.239 248 G HA3 0.475 4.430 3.960 -0.009 0.000 0.239 248 G C 0.614 175.350 174.900 -0.274 0.000 1.084 248 G CA 0.496 45.221 45.100 -0.625 0.000 0.784 248 G HN 0.627 nan 8.290 nan 0.000 0.540 249 G N 0.268 108.994 108.800 -0.123 0.000 2.592 249 G HA2 0.018 3.973 3.960 -0.009 0.000 0.684 249 G HA3 0.018 3.973 3.960 -0.009 0.000 0.684 249 G C -2.876 172.240 174.900 0.361 0.000 1.291 249 G CA -0.529 44.636 45.100 0.107 0.000 0.891 249 G HN 0.234 nan 8.290 nan 0.000 0.544 250 P HA 0.150 nan 4.420 nan 0.000 0.265 250 P C -0.808 176.739 177.300 0.412 0.000 1.187 250 P CA 0.347 63.639 63.100 0.319 0.000 0.766 250 P CB 0.377 32.166 31.700 0.148 0.000 0.820 251 Y N 3.854 124.308 120.300 0.256 0.000 2.404 251 Y HA 0.213 4.758 4.550 -0.009 0.000 0.344 251 Y C 1.169 177.022 175.900 -0.079 0.000 0.995 251 Y CA -0.178 57.938 58.100 0.027 0.000 1.201 251 Y CB 0.552 39.100 38.460 0.146 0.000 1.151 251 Y HN 0.197 nan 8.280 nan 0.000 0.517 252 V N 2.885 122.389 119.914 -0.683 0.000 3.647 252 V HA 0.059 4.174 4.120 -0.009 0.000 0.279 252 V C 0.463 176.079 176.094 -0.797 0.000 1.314 252 V CA 0.111 62.013 62.300 -0.663 0.000 1.125 252 V CB -0.870 30.505 31.823 -0.747 0.000 0.907 252 V HN 0.847 nan 8.190 nan 0.000 0.434 253 W N 1.192 122.020 121.300 -0.787 0.000 3.290 253 W HA 0.644 5.299 4.660 -0.009 0.000 0.287 253 W C 1.891 178.349 176.519 -0.101 0.000 1.288 253 W CA 0.675 57.737 57.345 -0.471 0.000 1.725 253 W CB 0.037 29.139 29.460 -0.595 0.000 1.103 253 W HN 0.496 nan 8.180 nan 0.000 0.670 254 G N 0.603 109.521 108.800 0.198 0.000 4.886 254 G HA2 -0.387 3.568 3.960 -0.009 0.000 0.305 254 G HA3 -0.387 3.568 3.960 -0.009 0.000 0.305 254 G C 0.249 175.390 174.900 0.402 0.000 1.483 254 G CA 0.518 45.775 45.100 0.262 0.000 1.029 254 G HN 0.270 nan 8.290 nan 0.000 0.746 255 Q N -0.402 119.626 119.800 0.380 0.000 2.215 255 Q HA 0.723 5.058 4.340 -0.009 0.000 0.256 255 Q C -1.334 174.938 176.000 0.452 0.000 0.972 255 Q CA -0.889 55.122 55.803 0.347 0.000 0.889 255 Q CB 1.382 30.265 28.738 0.242 0.000 1.281 255 Q HN 0.794 nan 8.270 nan 0.000 0.456 256 Y N 2.414 122.827 120.300 0.189 0.000 2.609 256 Y HA 0.378 4.922 4.550 -0.009 0.000 0.350 256 Y C -1.573 174.396 175.900 0.115 0.000 1.050 256 Y CA -0.779 57.402 58.100 0.135 0.000 1.290 256 Y CB 0.733 39.155 38.460 -0.063 0.000 1.094 256 Y HN 0.673 nan 8.280 nan 0.000 0.583 257 D N 3.973 124.278 120.400 -0.158 0.000 2.332 257 D HA 0.524 5.159 4.640 -0.009 0.000 0.252 257 D C -0.787 175.368 176.300 -0.240 0.000 1.050 257 D CA -0.157 53.817 54.000 -0.043 0.000 0.970 257 D CB 1.993 42.938 40.800 0.241 0.000 1.141 257 D HN 0.510 nan 8.370 nan 0.000 0.485 258 L N 1.113 122.309 121.223 -0.045 0.000 2.365 258 L HA 0.456 4.791 4.340 -0.009 0.000 0.273 258 L C -1.043 175.849 176.870 0.035 0.000 1.000 258 L CA -1.045 53.730 54.840 -0.107 0.000 0.819 258 L CB 1.834 43.803 42.059 -0.150 0.000 1.284 258 L HN 0.082 nan 8.230 nan 0.000 0.418 259 L N 4.123 125.292 121.223 -0.089 0.000 2.333 259 L HA 0.577 4.911 4.340 -0.009 0.000 0.280 259 L C -0.886 175.852 176.870 -0.220 0.000 1.004 259 L CA -0.313 54.437 54.840 -0.151 0.000 0.820 259 L CB 1.915 43.694 42.059 -0.466 0.000 1.247 259 L HN 0.257 nan 8.230 nan 0.000 0.416 260 V N 6.570 126.430 119.914 -0.090 0.000 2.318 260 V HA 0.349 4.464 4.120 -0.009 0.000 0.271 260 V C 0.358 176.369 176.094 -0.137 0.000 1.030 260 V CA -0.484 61.774 62.300 -0.070 0.000 0.844 260 V CB 0.832 32.719 31.823 0.107 0.000 1.015 260 V HN 0.646 nan 8.190 nan 0.000 0.460 261 L N 7.234 128.275 121.223 -0.303 0.000 2.479 261 L HA 0.405 4.740 4.340 -0.009 0.000 0.248 261 L C -1.939 174.796 176.870 -0.226 0.000 1.205 261 L CA -1.181 53.448 54.840 -0.352 0.000 0.817 261 L CB -0.131 41.509 42.059 -0.698 0.000 1.162 261 L HN 0.386 nan 8.230 nan 0.000 0.486 262 P HA 0.100 nan 4.420 nan 0.000 0.274 262 P C -2.114 175.173 177.300 -0.022 0.000 1.260 262 P CA -0.897 62.103 63.100 -0.167 0.000 0.793 262 P CB -0.009 31.564 31.700 -0.210 0.000 1.048 263 P HA -0.151 nan 4.420 nan 0.000 0.221 263 P C 1.037 178.410 177.300 0.123 0.000 1.145 263 P CA 1.512 64.660 63.100 0.081 0.000 0.795 263 P CB -0.343 31.401 31.700 0.074 0.000 0.775 264 S N -2.055 113.747 115.700 0.171 0.000 2.603 264 S HA -0.014 4.451 4.470 -0.009 0.000 0.220 264 S C 0.495 175.239 174.600 0.241 0.000 0.967 264 S CA -0.497 57.834 58.200 0.217 0.000 0.920 264 S CB -1.377 61.992 63.200 0.282 0.000 0.773 264 S HN -0.033 nan 8.310 nan 0.000 0.529 265 F N 5.096 125.042 119.950 -0.007 0.000 2.590 265 F HA 0.221 4.743 4.527 -0.008 0.000 0.389 265 F C -1.233 174.477 175.800 -0.150 0.000 1.049 265 F CA -2.421 55.481 58.000 -0.163 0.000 1.199 265 F CB 0.648 39.454 39.000 -0.324 0.000 1.058 265 F HN 0.022 nan 8.300 nan 0.000 0.556 266 P HA -0.177 nan 4.420 nan 0.000 0.221 266 P C -0.636 175.983 177.300 -1.135 0.000 1.145 266 P CA 1.663 64.161 63.100 -1.002 0.000 0.795 266 P CB -0.001 30.947 31.700 -1.253 0.000 0.775 267 Y N -1.995 117.821 120.300 -0.806 0.000 2.659 267 Y HA 0.573 5.117 4.550 -0.010 0.000 0.333 267 Y C 2.148 178.036 175.900 -0.021 0.000 1.064 267 Y CA -0.537 57.346 58.100 -0.363 0.000 1.141 267 Y CB 0.218 38.505 38.460 -0.289 0.000 1.316 267 Y HN -0.337 nan 8.280 nan 0.000 0.509 268 G N -0.438 108.475 108.800 0.188 0.000 2.403 268 G HA2 0.348 4.302 3.960 -0.009 0.000 0.216 268 G HA3 0.348 4.302 3.960 -0.009 0.000 0.216 268 G C 0.314 175.394 174.900 0.300 0.000 1.154 268 G CA 0.826 46.023 45.100 0.160 0.000 0.784 268 G HN 0.936 nan 8.290 nan 0.000 0.538 269 G N -1.507 107.524 108.800 0.386 0.000 2.673 269 G HA2 0.513 4.467 3.960 -0.009 0.000 0.292 269 G HA3 0.513 4.467 3.960 -0.009 0.000 0.292 269 G C -1.807 173.329 174.900 0.393 0.000 1.450 269 G CA -0.681 44.645 45.100 0.378 0.000 0.837 269 G HN 0.314 nan 8.290 nan 0.000 0.505 270 M N 1.451 121.235 119.600 0.305 0.000 2.267 270 M HA 0.387 4.862 4.480 -0.009 0.000 0.289 270 M C 0.228 176.550 176.300 0.037 0.000 1.043 270 M CA -0.931 54.462 55.300 0.154 0.000 0.928 270 M CB 1.911 34.609 32.600 0.163 0.000 1.613 270 M HN 0.559 nan 8.290 nan 0.000 0.450 271 E N 2.492 122.699 120.200 0.013 0.000 2.651 271 E HA 0.022 4.367 4.350 -0.009 0.000 0.236 271 E C -1.094 175.406 176.600 -0.167 0.000 1.422 271 E CA 0.066 56.456 56.400 -0.016 0.000 1.534 271 E CB -1.157 28.527 29.700 -0.026 0.000 1.381 271 E HN 0.819 nan 8.360 nan 0.000 0.435 272 N N 3.772 122.327 118.700 -0.243 0.000 2.447 272 N HA 0.038 4.772 4.740 -0.009 0.000 0.263 272 N C -2.323 173.010 175.510 -0.295 0.000 1.226 272 N CA -0.875 51.981 53.050 -0.324 0.000 0.906 272 N CB 0.453 38.643 38.487 -0.496 0.000 1.060 272 N HN 0.258 nan 8.380 nan 0.000 0.468 273 P HA -0.096 nan 4.420 nan 0.000 0.264 273 P C 0.058 177.225 177.300 -0.222 0.000 1.193 273 P CA 0.038 62.831 63.100 -0.512 0.000 0.763 273 P CB 0.569 31.781 31.700 -0.813 0.000 0.810 274 C N 0.832 120.061 119.300 -0.118 0.000 5.688 274 C HA -0.203 4.251 4.460 -0.009 0.000 0.291 274 C C 0.478 175.444 174.990 -0.041 0.000 2.111 274 C CA 0.697 59.737 59.018 0.038 0.000 1.870 274 C CB -2.429 25.358 27.740 0.078 0.000 2.828 274 C HN 0.666 nan 8.230 nan 0.000 0.449 275 L N 1.345 122.504 121.223 -0.108 0.000 2.492 275 L HA 0.474 4.808 4.340 -0.009 0.000 0.259 275 L C 0.067 176.916 176.870 -0.036 0.000 1.229 275 L CA 0.409 55.199 54.840 -0.083 0.000 0.903 275 L CB 0.737 42.797 42.059 0.001 0.000 1.114 275 L HN 0.189 nan 8.230 nan 0.000 0.494 276 T N 3.476 117.910 114.554 -0.200 0.000 2.916 276 T HA 0.305 4.649 4.350 -0.009 0.000 0.303 276 T C -0.269 174.502 174.700 0.119 0.000 1.025 276 T CA 0.669 62.729 62.100 -0.065 0.000 1.142 276 T CB 0.012 68.813 68.868 -0.111 0.000 0.947 276 T HN 0.146 nan 8.240 nan 0.000 0.544 277 F N 3.158 122.970 119.950 -0.230 0.000 2.404 277 F HA 0.563 5.085 4.527 -0.009 0.000 0.339 277 F C 0.442 176.006 175.800 -0.392 0.000 1.105 277 F CA -1.462 56.288 58.000 -0.418 0.000 1.087 277 F CB 1.080 39.708 39.000 -0.621 0.000 1.143 277 F HN 0.282 nan 8.300 nan 0.000 0.491 278 V N -0.634 119.113 119.914 -0.279 0.000 3.040 278 V HA 0.668 4.782 4.120 -0.009 0.000 0.312 278 V C -0.254 175.775 176.094 -0.109 0.000 1.115 278 V CA -0.936 61.291 62.300 -0.121 0.000 0.998 278 V CB 1.326 33.068 31.823 -0.134 0.000 1.042 278 V HN 0.725 nan 8.190 nan 0.000 0.433 279 T N 2.652 117.283 114.554 0.128 0.000 2.913 279 T HA 0.403 4.748 4.350 -0.009 0.000 0.297 279 T C -1.205 173.584 174.700 0.149 0.000 1.029 279 T CA -0.986 61.222 62.100 0.179 0.000 1.104 279 T CB 1.252 70.257 68.868 0.229 0.000 0.964 279 T HN 0.839 nan 8.240 nan 0.000 0.532 280 P HA 0.031 nan 4.420 nan 0.000 0.242 280 P C 1.150 178.540 177.300 0.149 0.000 1.197 280 P CA 0.553 63.732 63.100 0.130 0.000 0.765 280 P CB -0.328 31.416 31.700 0.075 0.000 0.936 281 T N -3.251 111.407 114.554 0.173 0.000 3.163 281 T HA 0.050 4.394 4.350 -0.009 0.000 0.260 281 T C 1.677 176.497 174.700 0.200 0.000 1.156 281 T CA 0.296 62.507 62.100 0.184 0.000 1.072 281 T CB -0.968 68.064 68.868 0.273 0.000 0.937 281 T HN 0.071 nan 8.240 nan 0.000 0.528 282 L N 0.054 121.417 121.223 0.233 0.000 2.418 282 L HA 0.289 4.624 4.340 -0.009 0.000 0.218 282 L C 1.081 178.055 176.870 0.174 0.000 1.125 282 L CA 0.282 55.280 54.840 0.263 0.000 0.835 282 L CB -0.402 41.911 42.059 0.424 0.000 0.953 282 L HN 0.300 nan 8.230 nan 0.000 0.454 283 L N 1.101 122.395 121.223 0.119 0.000 2.388 283 L HA 0.057 4.391 4.340 -0.009 0.000 0.252 283 L C 1.623 178.506 176.870 0.022 0.000 1.357 283 L CA -0.400 54.450 54.840 0.017 0.000 1.214 283 L CB -0.178 41.893 42.059 0.019 0.000 1.392 283 L HN 0.121 nan 8.230 nan 0.000 0.432 284 A N 0.960 123.798 122.820 0.030 0.000 2.123 284 A HA 0.271 4.585 4.320 -0.009 0.000 0.214 284 A C 1.896 179.491 177.584 0.018 0.000 1.152 284 A CA 0.837 52.890 52.037 0.026 0.000 0.728 284 A CB -0.063 18.956 19.000 0.033 0.000 0.814 284 A HN 0.787 nan 8.150 nan 0.000 0.464 285 G N -0.040 108.778 108.800 0.030 0.000 2.195 285 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.246 285 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.246 285 G C 0.209 175.187 174.900 0.129 0.000 0.984 285 G CA 0.950 46.073 45.100 0.040 0.000 0.633 285 G HN 0.949 nan 8.290 nan 0.000 0.525 286 D N -0.643 119.835 120.400 0.129 0.000 2.562 286 D HA 0.230 4.864 4.640 -0.009 0.000 0.246 286 D C 1.002 177.367 176.300 0.109 0.000 1.347 286 D CA 0.344 54.436 54.000 0.154 0.000 0.800 286 D CB -0.455 40.379 40.800 0.058 0.000 1.111 286 D HN 0.477 nan 8.370 nan 0.000 0.508 287 K N -0.077 120.370 120.400 0.079 0.000 3.349 287 K HA -0.240 4.075 4.320 -0.009 0.000 0.310 287 K C 1.143 177.816 176.600 0.121 0.000 1.267 287 K CA 1.089 57.410 56.287 0.057 0.000 0.920 287 K CB -2.364 30.141 32.500 0.008 0.000 1.240 287 K HN 0.349 nan 8.250 nan 0.000 0.453 288 S N 0.366 116.119 115.700 0.089 0.000 2.500 288 S HA -0.064 4.401 4.470 -0.009 0.000 0.239 288 S C 1.287 176.025 174.600 0.229 0.000 0.989 288 S CA 0.751 59.008 58.200 0.095 0.000 0.951 288 S CB -0.095 63.038 63.200 -0.111 0.000 0.759 288 S HN 0.430 nan 8.310 nan 0.000 0.523 289 L N 2.224 123.574 121.223 0.212 0.000 2.872 289 L HA 0.279 4.614 4.340 -0.009 0.000 0.245 289 L C 1.827 178.870 176.870 0.289 0.000 1.211 289 L CA 0.208 55.199 54.840 0.252 0.000 1.013 289 L CB -0.164 42.030 42.059 0.225 0.000 1.326 289 L HN 0.407 nan 8.230 nan 0.000 0.525 290 S N -0.714 115.167 115.700 0.303 0.000 2.547 290 S HA -0.144 4.321 4.470 -0.009 0.000 0.235 290 S C 1.682 176.455 174.600 0.288 0.000 0.980 290 S CA 0.768 59.161 58.200 0.321 0.000 0.941 290 S CB -0.462 62.928 63.200 0.317 0.000 0.763 290 S HN 0.666 nan 8.310 nan 0.000 0.532 291 N N 1.884 120.745 118.700 0.269 0.000 2.381 291 N HA -0.085 4.650 4.740 -0.009 0.000 0.182 291 N C 1.447 177.086 175.510 0.215 0.000 1.025 291 N CA 1.167 54.350 53.050 0.221 0.000 0.888 291 N CB -0.655 37.928 38.487 0.159 0.000 0.965 291 N HN 0.420 nan 8.380 nan 0.000 0.438 292 V N 1.333 121.375 119.914 0.213 0.000 2.626 292 V HA -0.118 3.997 4.120 -0.009 0.000 0.252 292 V C 2.435 178.676 176.094 0.244 0.000 1.067 292 V CA 0.805 63.228 62.300 0.205 0.000 1.081 292 V CB -0.367 31.563 31.823 0.179 0.000 0.686 292 V HN 0.223 nan 8.190 nan 0.000 0.468 293 I N 0.671 121.377 120.570 0.226 0.000 2.286 293 I HA -0.095 4.070 4.170 -0.009 0.000 0.245 293 I C 2.677 178.921 176.117 0.212 0.000 1.104 293 I CA 1.695 63.117 61.300 0.204 0.000 1.397 293 I CB -1.607 36.507 38.000 0.191 0.000 1.072 293 I HN 0.295 nan 8.210 nan 0.000 0.417 294 A N 0.031 122.971 122.820 0.201 0.000 1.972 294 A HA -0.268 4.046 4.320 -0.009 0.000 0.219 294 A C 2.274 179.961 177.584 0.172 0.000 1.169 294 A CA 1.909 54.040 52.037 0.157 0.000 0.635 294 A CB -1.003 18.088 19.000 0.152 0.000 0.810 294 A HN 0.536 nan 8.150 nan 0.000 0.446 295 H N -0.171 118.973 119.070 0.124 0.000 2.299 295 H HA -0.084 4.467 4.556 -0.009 0.000 0.302 295 H C 1.997 177.409 175.328 0.140 0.000 1.078 295 H CA 1.889 58.000 56.048 0.106 0.000 1.323 295 H CB 0.069 29.913 29.762 0.136 0.000 1.381 295 H HN 0.351 nan 8.280 nan 0.000 0.498 296 E N 0.476 120.887 120.200 0.351 0.000 2.085 296 E HA -0.153 4.192 4.350 -0.009 0.000 0.194 296 E C 2.571 179.359 176.600 0.313 0.000 0.994 296 E CA 1.086 57.712 56.400 0.377 0.000 0.801 296 E CB -0.329 29.598 29.700 0.378 0.000 0.743 296 E HN 0.596 nan 8.360 nan 0.000 0.453 297 I N 1.135 121.840 120.570 0.224 0.000 2.163 297 I HA -0.286 3.879 4.170 -0.009 0.000 0.243 297 I C 2.346 178.643 176.117 0.301 0.000 1.085 297 I CA 1.082 62.430 61.300 0.080 0.000 1.347 297 I CB -0.209 37.732 38.000 -0.097 0.000 1.044 297 I HN -0.031 nan 8.210 nan 0.000 0.408 298 S N -0.548 115.283 115.700 0.219 0.000 2.387 298 S HA -0.248 4.217 4.470 -0.009 0.000 0.230 298 S C 1.944 176.725 174.600 0.301 0.000 1.035 298 S CA 1.176 59.521 58.200 0.243 0.000 1.014 298 S CB -0.528 62.669 63.200 -0.006 0.000 0.836 298 S HN 0.441 nan 8.310 nan 0.000 0.466 299 H N 1.359 120.518 119.070 0.149 0.000 2.489 299 H HA 0.048 4.599 4.556 -0.009 0.000 0.295 299 H C 2.155 177.531 175.328 0.080 0.000 1.082 299 H CA 1.082 57.186 56.048 0.093 0.000 1.295 299 H CB -0.411 29.373 29.762 0.037 0.000 1.380 299 H HN 0.321 nan 8.280 nan 0.000 0.548 300 S N -0.511 115.302 115.700 0.189 0.000 2.500 300 S HA -0.134 4.330 4.470 -0.009 0.000 0.239 300 S C 1.491 176.004 174.600 -0.146 0.000 0.989 300 S CA 0.584 58.699 58.200 -0.143 0.000 0.951 300 S CB 0.046 63.082 63.200 -0.273 0.000 0.759 300 S HN 0.539 nan 8.310 nan 0.000 0.523 301 W N 0.941 122.348 121.300 0.177 0.000 3.614 301 W HA 0.138 4.793 4.660 -0.009 0.000 0.229 301 W C 0.541 177.094 176.519 0.057 0.000 0.916 301 W CA 0.234 57.640 57.345 0.102 0.000 2.162 301 W CB -0.953 28.551 29.460 0.073 0.000 1.061 301 W HN 0.136 nan 8.180 nan 0.000 0.704 302 T N -0.214 114.556 114.554 0.359 0.000 2.863 302 T HA 0.558 4.902 4.350 -0.009 0.000 0.299 302 T C 0.651 175.510 174.700 0.265 0.000 0.973 302 T CA 0.685 62.926 62.100 0.235 0.000 0.994 302 T CB 0.670 69.686 68.868 0.246 0.000 0.961 302 T HN 0.408 nan 8.240 nan 0.000 0.552 303 G N 4.237 113.151 108.800 0.189 0.000 3.435 303 G HA2 -0.240 3.715 3.960 -0.009 0.000 0.197 303 G HA3 -0.240 3.715 3.960 -0.009 0.000 0.197 303 G C 0.975 175.954 174.900 0.132 0.000 1.497 303 G CA -0.137 45.090 45.100 0.212 0.000 1.043 303 G HN 0.527 nan 8.290 nan 0.000 0.466 304 N N 0.549 119.305 118.700 0.094 0.000 2.333 304 N HA 0.280 5.014 4.740 -0.009 0.000 0.178 304 N C 2.162 177.775 175.510 0.170 0.000 1.018 304 N CA 0.999 54.069 53.050 0.034 0.000 0.882 304 N CB 0.031 38.396 38.487 -0.204 0.000 0.984 304 N HN 0.478 nan 8.380 nan 0.000 0.434 305 L N -0.179 121.098 121.223 0.091 0.000 2.262 305 L HA 0.198 4.533 4.340 -0.009 0.000 0.197 305 L C 0.034 176.813 176.870 -0.153 0.000 1.073 305 L CA 0.396 55.171 54.840 -0.109 0.000 0.800 305 L CB 0.285 42.197 42.059 -0.245 0.000 0.987 305 L HN -0.158 nan 8.230 nan 0.000 0.470 306 V N 0.605 120.445 119.914 -0.123 0.000 2.350 306 V HA 0.276 4.391 4.120 -0.009 0.000 0.276 306 V C -0.252 175.789 176.094 -0.088 0.000 1.028 306 V CA -0.246 61.949 62.300 -0.175 0.000 0.860 306 V CB 1.130 32.750 31.823 -0.337 0.000 0.990 306 V HN 0.189 nan 8.190 nan 0.000 0.453 307 T N 4.592 119.095 114.554 -0.084 0.000 2.887 307 T HA 0.364 4.709 4.350 -0.009 0.000 0.288 307 T C -0.041 174.594 174.700 -0.107 0.000 1.021 307 T CA -0.741 61.336 62.100 -0.037 0.000 1.000 307 T CB 1.121 69.997 68.868 0.014 0.000 1.034 307 T HN 0.838 nan 8.240 nan 0.000 0.467 308 N N 1.900 120.530 118.700 -0.118 0.000 2.497 308 N HA 0.138 4.873 4.740 -0.009 0.000 0.268 308 N C 0.849 176.220 175.510 -0.232 0.000 1.171 308 N CA -0.606 52.339 53.050 -0.174 0.000 0.948 308 N CB 1.441 39.844 38.487 -0.140 0.000 1.069 308 N HN 0.526 nan 8.380 nan 0.000 0.460 309 K N 0.541 120.830 120.400 -0.186 0.000 2.097 309 K HA -0.113 4.201 4.320 -0.009 0.000 0.206 309 K C 0.595 177.077 176.600 -0.196 0.000 1.049 309 K CA 1.454 57.642 56.287 -0.165 0.000 0.933 309 K CB 0.024 32.442 32.500 -0.136 0.000 0.717 309 K HN 0.873 nan 8.250 nan 0.000 0.442 310 T N -5.372 109.086 114.554 -0.160 0.000 2.816 310 T HA 0.191 4.535 4.350 -0.009 0.000 0.299 310 T C -0.120 174.381 174.700 -0.331 0.000 1.230 310 T CA -0.923 61.018 62.100 -0.265 0.000 1.007 310 T CB 0.211 69.073 68.868 -0.011 0.000 1.289 310 T HN 0.264 nan 8.240 nan 0.000 0.508 311 W N 0.300 121.606 121.300 0.009 0.000 2.721 311 W HA 0.121 4.774 4.660 -0.011 0.000 0.245 311 W C 1.190 177.691 176.519 -0.029 0.000 1.276 311 W CA 0.013 57.330 57.345 -0.047 0.000 1.342 311 W CB -0.198 29.165 29.460 -0.162 0.000 1.135 311 W HN 0.714 nan 8.180 nan 0.000 0.654 312 D N -1.425 118.999 120.400 0.040 0.000 2.264 312 D HA -0.120 4.514 4.640 -0.009 0.000 0.208 312 D C 1.378 177.524 176.300 -0.256 0.000 0.966 312 D CA 1.229 55.152 54.000 -0.129 0.000 0.864 312 D CB -0.268 40.360 40.800 -0.287 0.000 0.933 312 D HN 0.318 nan 8.370 nan 0.000 0.499 313 H N -0.980 118.202 119.070 0.187 0.000 2.487 313 H HA 0.075 4.627 4.556 -0.008 0.000 0.290 313 H C 1.037 176.413 175.328 0.080 0.000 1.081 313 H CA -0.382 55.757 56.048 0.151 0.000 1.116 313 H CB -0.210 29.555 29.762 0.007 0.000 1.560 313 H HN 0.070 nan 8.280 nan 0.000 0.548 314 F N 2.453 122.471 119.950 0.113 0.000 2.192 314 F HA -0.267 4.254 4.527 -0.009 0.000 0.301 314 F C 2.336 178.180 175.800 0.072 0.000 1.079 314 F CA 1.279 59.358 58.000 0.132 0.000 1.303 314 F CB -0.247 38.904 39.000 0.250 0.000 1.024 314 F HN 0.383 nan 8.300 nan 0.000 0.494 315 W N 0.617 121.943 121.300 0.044 0.000 2.364 315 W HA -0.204 4.451 4.660 -0.009 0.000 0.281 315 W C 1.552 178.011 176.519 -0.099 0.000 1.219 315 W CA 1.010 58.291 57.345 -0.106 0.000 1.220 315 W CB -1.525 27.914 29.460 -0.035 0.000 1.127 315 W HN 0.135 nan 8.180 nan 0.000 0.556 316 L N 1.409 122.015 121.223 -1.028 0.000 2.046 316 L HA -0.272 4.063 4.340 -0.009 0.000 0.208 316 L C 2.516 179.217 176.870 -0.282 0.000 1.077 316 L CA 1.916 56.197 54.840 -0.932 0.000 0.747 316 L CB -1.065 40.554 42.059 -0.732 0.000 0.896 316 L HN -0.017 nan 8.230 nan 0.000 0.432 317 N N -0.491 118.069 118.700 -0.233 0.000 2.080 317 N HA -0.152 4.583 4.740 -0.009 0.000 0.189 317 N C 1.851 177.302 175.510 -0.098 0.000 1.036 317 N CA 1.108 54.107 53.050 -0.084 0.000 0.846 317 N CB -0.064 38.380 38.487 -0.071 0.000 1.015 317 N HN 0.237 nan 8.380 nan 0.000 0.423 318 E N -0.271 119.696 120.200 -0.389 0.000 2.076 318 E HA 0.057 4.402 4.350 -0.009 0.000 0.190 318 E C 2.064 178.593 176.600 -0.119 0.000 0.979 318 E CA 0.806 56.947 56.400 -0.432 0.000 0.807 318 E CB -0.744 28.256 29.700 -1.166 0.000 0.761 318 E HN 0.381 nan 8.360 nan 0.000 0.454 319 G N 0.919 109.719 108.800 -0.001 0.000 2.421 319 G HA2 -0.277 3.677 3.960 -0.009 0.000 0.216 319 G HA3 -0.277 3.677 3.960 -0.009 0.000 0.216 319 G C 1.274 176.262 174.900 0.147 0.000 1.171 319 G CA 1.146 46.346 45.100 0.166 0.000 0.775 319 G HN 0.321 nan 8.290 nan 0.000 0.543 320 H N -0.191 118.945 119.070 0.110 0.000 2.421 320 H HA 0.022 4.573 4.556 -0.009 0.000 0.298 320 H C 2.904 178.355 175.328 0.206 0.000 1.087 320 H CA 1.683 57.843 56.048 0.187 0.000 1.330 320 H CB -0.139 29.692 29.762 0.116 0.000 1.388 320 H HN 0.282 nan 8.280 nan 0.000 0.526 321 T N -0.303 114.331 114.554 0.134 0.000 2.777 321 T HA -0.118 4.226 4.350 -0.009 0.000 0.266 321 T C 2.276 176.986 174.700 0.016 0.000 1.040 321 T CA 1.241 63.271 62.100 -0.117 0.000 1.141 321 T CB -0.356 68.087 68.868 -0.709 0.000 0.868 321 T HN 0.098 nan 8.240 nan 0.000 0.444 322 V N 0.498 120.535 119.914 0.205 0.000 2.407 322 V HA -0.161 3.953 4.120 -0.009 0.000 0.248 322 V C 1.995 178.294 176.094 0.342 0.000 1.055 322 V CA 1.503 63.990 62.300 0.312 0.000 1.049 322 V CB -0.694 31.330 31.823 0.335 0.000 0.662 322 V HN 0.505 nan 8.190 nan 0.000 0.455 323 Y N 0.219 120.758 120.300 0.399 0.000 2.145 323 Y HA -0.202 4.343 4.550 -0.009 0.000 0.286 323 Y C 2.221 178.324 175.900 0.339 0.000 1.145 323 Y CA 1.665 60.035 58.100 0.449 0.000 1.148 323 Y CB -0.174 38.485 38.460 0.331 0.000 0.981 323 Y HN 0.130 nan 8.280 nan 0.000 0.507 324 L N 0.069 121.478 121.223 0.310 0.000 2.056 324 L HA -0.196 4.138 4.340 -0.009 0.000 0.207 324 L C 2.610 179.535 176.870 0.091 0.000 1.078 324 L CA 1.765 56.717 54.840 0.186 0.000 0.749 324 L CB -0.579 41.568 42.059 0.147 0.000 0.901 324 L HN 0.324 nan 8.230 nan 0.000 0.433 325 E N 0.564 120.814 120.200 0.084 0.000 2.049 325 E HA -0.287 4.058 4.350 -0.009 0.000 0.198 325 E C 2.260 178.873 176.600 0.023 0.000 1.007 325 E CA 1.527 57.974 56.400 0.078 0.000 0.809 325 E CB 0.008 29.799 29.700 0.152 0.000 0.749 325 E HN 0.413 nan 8.360 nan 0.000 0.450 326 R N -0.765 119.698 120.500 -0.062 0.000 2.189 326 R HA -0.088 4.247 4.340 -0.009 0.000 0.223 326 R C 2.432 178.620 176.300 -0.187 0.000 1.092 326 R CA 0.995 56.987 56.100 -0.179 0.000 0.989 326 R CB -0.250 29.865 30.300 -0.308 0.000 0.876 326 R HN 0.370 nan 8.270 nan 0.000 0.457 327 H N 0.383 119.389 119.070 -0.107 0.000 2.403 327 H HA 0.029 4.580 4.556 -0.009 0.000 0.298 327 H C 2.124 177.439 175.328 -0.023 0.000 1.059 327 H CA 1.083 57.084 56.048 -0.079 0.000 1.363 327 H CB 0.117 29.810 29.762 -0.116 0.000 1.410 327 H HN 0.145 nan 8.280 nan 0.000 0.528 328 I N -0.228 120.399 120.570 0.095 0.000 2.179 328 I HA -0.289 3.876 4.170 -0.009 0.000 0.242 328 I C 2.566 178.726 176.117 0.072 0.000 1.088 328 I CA 0.924 62.258 61.300 0.056 0.000 1.357 328 I CB -0.178 37.848 38.000 0.044 0.000 1.051 328 I HN 0.196 nan 8.210 nan 0.000 0.409 329 C N 0.738 120.113 119.300 0.125 0.000 2.435 329 C HA -0.052 4.403 4.460 -0.009 0.000 0.279 329 C C 2.909 178.095 174.990 0.327 0.000 1.321 329 C CA 0.921 60.107 59.018 0.280 0.000 1.752 329 C CB -1.685 26.226 27.740 0.286 0.000 1.959 329 C HN 0.681 nan 8.230 nan 0.000 0.500 330 G N 0.013 108.922 108.800 0.181 0.000 2.408 330 G HA2 -0.144 3.810 3.960 -0.009 0.000 0.217 330 G HA3 -0.144 3.810 3.960 -0.009 0.000 0.217 330 G C 1.862 176.857 174.900 0.158 0.000 1.150 330 G CA 0.284 45.502 45.100 0.198 0.000 0.776 330 G HN 0.412 nan 8.290 nan 0.000 0.542 331 R N -0.528 120.030 120.500 0.097 0.000 2.066 331 R HA 0.049 4.384 4.340 -0.009 0.000 0.232 331 R C 2.492 178.759 176.300 -0.056 0.000 1.131 331 R CA 0.606 56.727 56.100 0.035 0.000 0.955 331 R CB -0.869 29.439 30.300 0.013 0.000 0.851 331 R HN 0.305 nan 8.270 nan 0.000 0.432 332 L N -0.493 120.632 121.223 -0.164 0.000 2.056 332 L HA -0.080 4.255 4.340 -0.009 0.000 0.207 332 L C 1.479 177.974 176.870 -0.625 0.000 1.078 332 L CA 1.783 56.320 54.840 -0.505 0.000 0.749 332 L CB -0.403 41.163 42.059 -0.823 0.000 0.901 332 L HN 0.052 nan 8.230 nan 0.000 0.433 333 F N -1.133 118.875 119.950 0.097 0.000 2.706 333 F HA 0.571 5.093 4.527 -0.009 0.000 0.313 333 F C 0.993 176.839 175.800 0.077 0.000 1.096 333 F CA 0.013 58.033 58.000 0.033 0.000 1.219 333 F CB -0.047 38.886 39.000 -0.112 0.000 1.051 333 F HN 0.022 nan 8.300 nan 0.000 0.568 334 G N 1.010 109.962 108.800 0.253 0.000 2.770 334 G HA2 -0.154 3.801 3.960 -0.009 0.000 0.686 334 G HA3 -0.154 3.801 3.960 -0.009 0.000 0.686 334 G C 0.154 175.213 174.900 0.265 0.000 1.180 334 G CA -0.394 44.835 45.100 0.216 0.000 0.767 334 G HN 0.096 nan 8.290 nan 0.000 0.646 335 E N 0.631 120.961 120.200 0.216 0.000 2.219 335 E HA -0.113 4.231 4.350 -0.009 0.000 0.198 335 E C 2.234 179.020 176.600 0.309 0.000 0.998 335 E CA 2.210 58.762 56.400 0.254 0.000 0.818 335 E CB -0.067 29.762 29.700 0.214 0.000 0.741 335 E HN 0.627 nan 8.360 nan 0.000 0.477 336 K N -1.030 119.519 120.400 0.248 0.000 2.148 336 K HA -0.108 4.207 4.320 -0.009 0.000 0.204 336 K C 1.790 178.608 176.600 0.363 0.000 1.050 336 K CA 1.010 57.448 56.287 0.251 0.000 0.942 336 K CB -0.225 32.378 32.500 0.173 0.000 0.724 336 K HN 0.168 nan 8.250 nan 0.000 0.446 337 F N 1.856 121.905 119.950 0.164 0.000 2.163 337 F HA -0.043 4.479 4.527 -0.008 0.000 0.297 337 F C 2.335 178.252 175.800 0.194 0.000 1.094 337 F CA 1.041 59.125 58.000 0.140 0.000 1.290 337 F CB -0.198 38.854 39.000 0.086 0.000 1.017 337 F HN -0.161 nan 8.300 nan 0.000 0.483 338 R N -0.716 119.846 120.500 0.105 0.000 2.091 338 R HA -0.200 4.135 4.340 -0.009 0.000 0.238 338 R C 2.435 178.688 176.300 -0.078 0.000 1.136 338 R CA 1.941 57.991 56.100 -0.084 0.000 0.959 338 R CB -0.656 29.618 30.300 -0.044 0.000 0.856 338 R HN 0.397 nan 8.270 nan 0.000 0.437 339 H N -1.067 118.053 119.070 0.083 0.000 2.387 339 H HA -0.168 4.383 4.556 -0.009 0.000 0.299 339 H C 1.934 177.363 175.328 0.170 0.000 1.090 339 H CA 1.759 57.916 56.048 0.181 0.000 1.332 339 H CB -0.208 29.714 29.762 0.267 0.000 1.386 339 H HN 0.262 nan 8.280 nan 0.000 0.516 340 F N 2.117 122.129 119.950 0.103 0.000 2.102 340 F HA -0.202 4.320 4.527 -0.008 0.000 0.298 340 F C 1.930 177.657 175.800 -0.122 0.000 1.105 340 F CA 1.715 59.730 58.000 0.025 0.000 1.239 340 F CB -0.347 38.696 39.000 0.071 0.000 0.991 340 F HN 0.029 nan 8.300 nan 0.000 0.474 341 N N 0.083 118.663 118.700 -0.199 0.000 2.216 341 N HA -0.083 4.652 4.740 -0.009 0.000 0.183 341 N C 1.962 177.229 175.510 -0.406 0.000 1.017 341 N CA 0.909 53.730 53.050 -0.381 0.000 0.861 341 N CB -0.325 37.878 38.487 -0.473 0.000 0.986 341 N HN 0.393 nan 8.380 nan 0.000 0.428 342 A N 0.943 123.551 122.820 -0.354 0.000 1.902 342 A HA -0.093 4.221 4.320 -0.009 0.000 0.217 342 A C 2.076 179.590 177.584 -0.117 0.000 1.181 342 A CA 0.969 52.800 52.037 -0.342 0.000 0.623 342 A CB -0.654 18.161 19.000 -0.308 0.000 0.818 342 A HN 0.244 nan 8.150 nan 0.000 0.443 343 L N 0.199 121.312 121.223 -0.183 0.000 2.093 343 L HA 0.011 4.346 4.340 -0.009 0.000 0.208 343 L C 2.352 179.021 176.870 -0.334 0.000 1.085 343 L CA 2.210 56.760 54.840 -0.483 0.000 0.755 343 L CB -1.124 40.696 42.059 -0.399 0.000 0.904 343 L HN 0.297 nan 8.230 nan 0.000 0.435 344 G N -1.028 107.534 108.800 -0.397 0.000 2.418 344 G HA2 -0.213 3.742 3.960 -0.009 0.000 0.217 344 G HA3 -0.213 3.742 3.960 -0.009 0.000 0.217 344 G C 1.542 176.327 174.900 -0.191 0.000 1.158 344 G CA 0.565 45.466 45.100 -0.332 0.000 0.771 344 G HN 0.584 nan 8.290 nan 0.000 0.545 345 G N 0.098 108.778 108.800 -0.200 0.000 2.440 345 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.218 345 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.218 345 G C 1.596 176.489 174.900 -0.012 0.000 1.154 345 G CA 0.939 45.956 45.100 -0.137 0.000 0.767 345 G HN 0.445 nan 8.290 nan 0.000 0.552 346 W N 2.027 123.247 121.300 -0.134 0.000 2.338 346 W HA -0.092 4.563 4.660 -0.007 0.000 0.304 346 W C 2.221 178.679 176.519 -0.102 0.000 1.212 346 W CA 1.608 58.908 57.345 -0.075 0.000 1.264 346 W CB -0.532 28.826 29.460 -0.169 0.000 1.142 346 W HN 0.219 nan 8.180 nan 0.000 0.512 347 G N 0.551 109.371 108.800 0.032 0.000 2.422 347 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.218 347 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.218 347 G C 1.369 176.191 174.900 -0.130 0.000 1.146 347 G CA 0.912 45.983 45.100 -0.048 0.000 0.769 347 G HN 0.219 nan 8.290 nan 0.000 0.547 348 E N 0.016 120.140 120.200 -0.126 0.000 2.106 348 E HA -0.054 4.291 4.350 -0.009 0.000 0.192 348 E C 2.463 178.961 176.600 -0.171 0.000 0.984 348 E CA 0.374 56.696 56.400 -0.130 0.000 0.806 348 E CB -0.361 29.269 29.700 -0.116 0.000 0.750 348 E HN 0.393 nan 8.360 nan 0.000 0.458 349 L N 1.635 122.725 121.223 -0.221 0.000 2.017 349 L HA -0.203 4.131 4.340 -0.009 0.000 0.208 349 L C 2.158 178.827 176.870 -0.335 0.000 1.073 349 L CA 1.806 56.478 54.840 -0.280 0.000 0.745 349 L CB -0.554 41.266 42.059 -0.398 0.000 0.894 349 L HN 0.046 nan 8.230 nan 0.000 0.432 350 Q N -0.693 118.855 119.800 -0.420 0.000 2.096 350 Q HA -0.221 4.114 4.340 -0.009 0.000 0.204 350 Q C 1.972 177.854 176.000 -0.195 0.000 0.982 350 Q CA 1.724 57.338 55.803 -0.314 0.000 0.850 350 Q CB -0.302 28.292 28.738 -0.241 0.000 0.901 350 Q HN 0.561 nan 8.270 nan 0.000 0.422 351 N N 0.133 118.729 118.700 -0.174 0.000 2.069 351 N HA -0.117 4.618 4.740 -0.009 0.000 0.191 351 N C 1.844 177.249 175.510 -0.176 0.000 1.031 351 N CA 1.437 54.398 53.050 -0.148 0.000 0.852 351 N CB -0.461 37.950 38.487 -0.126 0.000 1.018 351 N HN 0.049 nan 8.380 nan 0.000 0.423 352 S N 0.129 115.713 115.700 -0.193 0.000 2.356 352 S HA -0.054 4.411 4.470 -0.009 0.000 0.223 352 S C 2.194 176.686 174.600 -0.180 0.000 1.032 352 S CA 0.777 58.830 58.200 -0.245 0.000 1.005 352 S CB -0.296 62.806 63.200 -0.164 0.000 0.867 352 S HN 0.091 nan 8.310 nan 0.000 0.449 353 V N 1.701 121.558 119.914 -0.096 0.000 2.407 353 V HA -0.171 3.944 4.120 -0.009 0.000 0.248 353 V C 2.360 178.435 176.094 -0.031 0.000 1.055 353 V CA 1.727 64.012 62.300 -0.024 0.000 1.049 353 V CB -0.476 31.296 31.823 -0.086 0.000 0.662 353 V HN 0.411 nan 8.190 nan 0.000 0.455 354 K N -0.450 119.901 120.400 -0.082 0.000 2.057 354 K HA -0.161 4.154 4.320 -0.009 0.000 0.206 354 K C 2.223 178.781 176.600 -0.070 0.000 1.050 354 K CA 1.806 58.053 56.287 -0.066 0.000 0.935 354 K CB -0.230 32.222 32.500 -0.080 0.000 0.715 354 K HN 0.473 nan 8.250 nan 0.000 0.439 355 T N 0.539 115.009 114.554 -0.139 0.000 2.708 355 T HA -0.109 4.235 4.350 -0.009 0.000 0.266 355 T C 1.433 176.053 174.700 -0.134 0.000 1.037 355 T CA 1.369 63.355 62.100 -0.190 0.000 1.146 355 T CB -0.246 68.417 68.868 -0.341 0.000 0.865 355 T HN 0.110 nan 8.240 nan 0.000 0.435 356 F N 1.242 121.120 119.950 -0.119 0.000 2.206 356 F HA 0.336 4.860 4.527 -0.005 0.000 0.298 356 F C 1.789 177.549 175.800 -0.067 0.000 1.090 356 F CA 0.528 58.405 58.000 -0.205 0.000 1.323 356 F CB -0.707 38.078 39.000 -0.359 0.000 1.028 356 F HN 0.367 nan 8.300 nan 0.000 0.492 357 G N 0.156 109.050 108.800 0.157 0.000 2.742 357 G HA2 -0.104 3.850 3.960 -0.009 0.000 0.686 357 G HA3 -0.104 3.850 3.960 -0.009 0.000 0.686 357 G C 0.425 175.386 174.900 0.102 0.000 1.220 357 G CA -0.231 44.932 45.100 0.106 0.000 0.783 357 G HN 0.358 nan 8.290 nan 0.000 0.646 358 E N -0.571 119.657 120.200 0.048 0.000 2.409 358 E HA -0.048 4.297 4.350 -0.009 0.000 0.198 358 E C 1.674 178.289 176.600 0.026 0.000 1.024 358 E CA 1.557 57.972 56.400 0.025 0.000 0.861 358 E CB -0.076 29.621 29.700 -0.005 0.000 0.788 358 E HN 0.827 nan 8.360 nan 0.000 0.521 359 T N -2.905 111.670 114.554 0.035 0.000 3.044 359 T HA 0.050 4.394 4.350 -0.009 0.000 0.260 359 T C 0.259 174.969 174.700 0.017 0.000 1.019 359 T CA -0.453 61.655 62.100 0.013 0.000 0.921 359 T CB -0.439 68.422 68.868 -0.011 0.000 1.053 359 T HN 0.283 nan 8.240 nan 0.000 0.533 360 H N 2.573 121.604 119.070 -0.065 0.000 2.928 360 H HA 0.170 4.726 4.556 -0.000 0.000 0.338 360 H C -1.617 173.617 175.328 -0.156 0.000 1.047 360 H CA -1.343 54.614 56.048 -0.152 0.000 1.435 360 H CB 1.075 30.725 29.762 -0.187 0.000 1.428 360 H HN -0.094 nan 8.280 nan 0.000 0.590 361 P HA -0.217 nan 4.420 nan 0.000 0.216 361 P C 0.780 178.257 177.300 0.295 0.000 1.150 361 P CA 1.165 64.291 63.100 0.043 0.000 0.843 361 P CB 0.119 31.763 31.700 -0.094 0.000 0.787 362 F N -0.569 119.451 119.950 0.117 0.000 2.641 362 F HA -0.030 4.494 4.527 -0.006 0.000 0.298 362 F C 1.842 177.515 175.800 -0.211 0.000 1.146 362 F CA 1.217 59.060 58.000 -0.260 0.000 1.464 362 F CB -2.102 36.323 39.000 -0.958 0.000 1.101 362 F HN 0.065 nan 8.300 nan 0.000 0.585 363 T N -3.102 111.503 114.554 0.085 0.000 3.122 363 T HA 0.122 4.467 4.350 -0.009 0.000 0.250 363 T C 0.601 175.345 174.700 0.073 0.000 1.067 363 T CA -0.277 61.888 62.100 0.107 0.000 0.966 363 T CB -0.206 68.728 68.868 0.109 0.000 1.002 363 T HN -0.028 nan 8.240 nan 0.000 0.542 364 K N 0.523 120.976 120.400 0.089 0.000 2.185 364 K HA 0.384 4.699 4.320 -0.009 0.000 0.271 364 K C 0.694 177.321 176.600 0.045 0.000 1.013 364 K CA -0.701 55.626 56.287 0.067 0.000 0.943 364 K CB 1.364 33.931 32.500 0.112 0.000 0.998 364 K HN -0.067 nan 8.250 nan 0.000 0.468 365 L N 2.819 124.020 121.223 -0.037 0.000 2.005 365 L HA -0.053 4.281 4.340 -0.009 0.000 0.207 365 L C 0.281 177.128 176.870 -0.038 0.000 1.072 365 L CA 1.639 56.396 54.840 -0.138 0.000 0.744 365 L CB 0.315 42.126 42.059 -0.413 0.000 0.895 365 L HN 0.309 nan 8.230 nan 0.000 0.433 366 V N 1.498 121.411 119.914 -0.001 0.000 2.364 366 V HA 0.343 4.458 4.120 -0.009 0.000 0.272 366 V C -0.012 176.181 176.094 0.164 0.000 1.036 366 V CA -0.492 61.902 62.300 0.156 0.000 0.880 366 V CB 1.072 33.045 31.823 0.251 0.000 0.991 366 V HN 0.122 nan 8.190 nan 0.000 0.460 367 V N 1.634 121.621 119.914 0.121 0.000 3.093 367 V HA 0.720 4.835 4.120 -0.009 0.000 0.320 367 V C -0.459 175.682 176.094 0.077 0.000 1.093 367 V CA -0.780 61.586 62.300 0.109 0.000 1.016 367 V CB 2.133 34.003 31.823 0.079 0.000 1.096 367 V HN 0.729 nan 8.190 nan 0.000 0.452 368 D N 1.399 121.853 120.400 0.090 0.000 2.460 368 D HA 0.364 4.999 4.640 -0.009 0.000 0.232 368 D C 0.389 176.735 176.300 0.076 0.000 1.079 368 D CA -0.261 53.784 54.000 0.075 0.000 0.864 368 D CB 0.904 41.749 40.800 0.076 0.000 1.048 368 D HN 0.614 nan 8.370 nan 0.000 0.523 369 L N 2.609 123.869 121.223 0.062 0.000 2.627 369 L HA 0.117 4.452 4.340 -0.009 0.000 0.232 369 L C 0.636 177.564 176.870 0.098 0.000 1.150 369 L CA 0.064 54.938 54.840 0.056 0.000 0.917 369 L CB -0.351 41.734 42.059 0.043 0.000 1.104 369 L HN 0.271 nan 8.230 nan 0.000 0.445 370 T N 1.008 115.621 114.554 0.099 0.000 2.831 370 T HA -0.046 4.298 4.350 -0.009 0.000 0.291 370 T C 0.544 175.326 174.700 0.137 0.000 0.981 370 T CA 0.106 62.272 62.100 0.110 0.000 1.174 370 T CB 0.182 69.098 68.868 0.081 0.000 0.929 370 T HN 0.339 nan 8.240 nan 0.000 0.532 371 D N 0.518 121.036 120.400 0.197 0.000 3.012 371 D HA -0.149 4.485 4.640 -0.009 0.000 0.222 371 D C -0.279 176.171 176.300 0.249 0.000 1.167 371 D CA 0.691 54.846 54.000 0.259 0.000 0.854 371 D CB -0.656 40.237 40.800 0.154 0.000 1.107 371 D HN 0.366 nan 8.370 nan 0.000 0.421 372 I N 1.165 121.825 120.570 0.149 0.000 2.436 372 I HA 0.150 4.314 4.170 -0.009 0.000 0.289 372 I C 0.493 176.338 176.117 -0.453 0.000 1.010 372 I CA -0.857 60.401 61.300 -0.070 0.000 1.098 372 I CB 1.801 39.805 38.000 0.006 0.000 1.266 372 I HN -0.205 nan 8.210 nan 0.000 0.434 373 D N 8.821 128.707 120.400 -0.857 0.000 2.417 373 D HA 0.107 4.741 4.640 -0.009 0.000 0.250 373 D C -1.726 174.265 176.300 -0.516 0.000 1.166 373 D CA -1.513 51.834 54.000 -1.089 0.000 0.881 373 D CB 1.781 42.107 40.800 -0.790 0.000 1.164 373 D HN 0.198 nan 8.370 nan 0.000 0.467 374 P HA -0.114 nan 4.420 nan 0.000 0.216 374 P C 0.708 177.812 177.300 -0.326 0.000 1.150 374 P CA 0.814 63.669 63.100 -0.410 0.000 0.837 374 P CB 0.305 31.666 31.700 -0.565 0.000 0.786 375 D N -1.064 119.173 120.400 -0.271 0.000 2.178 375 D HA -0.096 4.538 4.640 -0.009 0.000 0.201 375 D C 1.859 178.125 176.300 -0.056 0.000 0.980 375 D CA 0.985 54.904 54.000 -0.135 0.000 0.842 375 D CB -0.413 40.352 40.800 -0.058 0.000 0.948 375 D HN 0.048 nan 8.370 nan 0.000 0.472 376 V N 0.813 120.668 119.914 -0.099 0.000 2.591 376 V HA -0.054 4.061 4.120 -0.009 0.000 0.249 376 V C 2.316 178.408 176.094 -0.004 0.000 1.053 376 V CA 1.426 63.729 62.300 0.005 0.000 1.068 376 V CB -0.328 31.509 31.823 0.022 0.000 0.689 376 V HN 0.153 nan 8.190 nan 0.000 0.462 377 A N -1.431 121.198 122.820 -0.318 0.000 2.123 377 A HA 0.029 4.344 4.320 -0.009 0.000 0.214 377 A C 1.061 178.488 177.584 -0.262 0.000 1.152 377 A CA -0.051 51.500 52.037 -0.810 0.000 0.728 377 A CB -0.451 17.825 19.000 -1.207 0.000 0.814 377 A HN 0.523 nan 8.150 nan 0.000 0.464 378 Y N 2.084 122.286 120.300 -0.164 0.000 2.712 378 Y HA 0.275 4.819 4.550 -0.010 0.000 0.333 378 Y C 0.766 176.762 175.900 0.160 0.000 1.225 378 Y CA 0.657 58.760 58.100 0.005 0.000 1.499 378 Y CB 0.378 38.837 38.460 -0.001 0.000 1.288 378 Y HN 0.403 nan 8.280 nan 0.000 0.575 379 S N 1.238 116.741 115.700 -0.328 0.000 2.714 379 S HA 0.298 4.763 4.470 -0.009 0.000 0.280 379 S C -0.098 174.356 174.600 -0.244 0.000 1.200 379 S CA -0.304 57.784 58.200 -0.187 0.000 0.900 379 S CB 0.836 64.161 63.200 0.209 0.000 1.235 379 S HN 0.425 nan 8.310 nan 0.000 0.512 380 S N 0.269 115.889 115.700 -0.133 0.000 2.575 380 S HA 0.152 4.617 4.470 -0.009 0.000 0.215 380 S C 1.706 176.381 174.600 0.126 0.000 0.966 380 S CA 0.452 58.602 58.200 -0.083 0.000 0.911 380 S CB -0.302 62.798 63.200 -0.166 0.000 0.780 380 S HN 0.523 nan 8.310 nan 0.000 0.514 381 V N 3.702 123.703 119.914 0.146 0.000 2.233 381 V HA -0.149 3.966 4.120 -0.009 0.000 0.247 381 V C -0.245 175.970 176.094 0.201 0.000 1.050 381 V CA 1.898 64.291 62.300 0.156 0.000 1.010 381 V CB -1.731 30.197 31.823 0.175 0.000 0.637 381 V HN 0.356 nan 8.190 nan 0.000 0.444 382 P HA -0.186 nan 4.420 nan 0.000 0.218 382 P C 1.277 178.679 177.300 0.169 0.000 1.148 382 P CA 1.842 65.079 63.100 0.228 0.000 0.822 382 P CB -0.127 31.726 31.700 0.255 0.000 0.784 383 Y N 0.900 121.259 120.300 0.098 0.000 2.109 383 Y HA -0.122 4.422 4.550 -0.010 0.000 0.285 383 Y C 2.771 178.777 175.900 0.177 0.000 1.131 383 Y CA 1.469 59.637 58.100 0.114 0.000 1.121 383 Y CB -1.096 37.392 38.460 0.047 0.000 0.987 383 Y HN -0.069 nan 8.280 nan 0.000 0.495 384 E N 0.045 120.438 120.200 0.322 0.000 2.122 384 E HA -0.105 4.240 4.350 -0.009 0.000 0.190 384 E C 2.030 178.812 176.600 0.302 0.000 0.977 384 E CA 0.608 57.174 56.400 0.278 0.000 0.820 384 E CB -0.208 29.565 29.700 0.121 0.000 0.770 384 E HN 0.400 nan 8.360 nan 0.000 0.462 385 K N 0.687 121.211 120.400 0.206 0.000 2.097 385 K HA -0.065 4.250 4.320 -0.009 0.000 0.205 385 K C 2.094 178.828 176.600 0.225 0.000 1.050 385 K CA 1.227 57.634 56.287 0.199 0.000 0.938 385 K CB -0.217 32.334 32.500 0.086 0.000 0.718 385 K HN 0.111 nan 8.250 nan 0.000 0.442 386 G N 0.739 109.657 108.800 0.196 0.000 2.421 386 G HA2 -0.286 3.668 3.960 -0.009 0.000 0.216 386 G HA3 -0.286 3.668 3.960 -0.009 0.000 0.216 386 G C 1.319 176.344 174.900 0.207 0.000 1.171 386 G CA 0.689 45.911 45.100 0.204 0.000 0.775 386 G HN 0.409 nan 8.290 nan 0.000 0.543 387 F N 2.492 122.554 119.950 0.186 0.000 2.134 387 F HA 0.046 4.568 4.527 -0.010 0.000 0.299 387 F C 2.781 178.727 175.800 0.243 0.000 1.097 387 F CA 1.441 59.565 58.000 0.207 0.000 1.264 387 F CB -0.301 38.819 39.000 0.200 0.000 1.001 387 F HN 0.229 nan 8.300 nan 0.000 0.479 388 A N 0.617 123.647 122.820 0.351 0.000 1.908 388 A HA -0.211 4.103 4.320 -0.009 0.000 0.218 388 A C 2.126 179.770 177.584 0.100 0.000 1.181 388 A CA 1.859 54.151 52.037 0.425 0.000 0.627 388 A CB -1.349 18.104 19.000 0.754 0.000 0.818 388 A HN 0.531 nan 8.150 nan 0.000 0.445 389 L N -0.132 121.007 121.223 -0.140 0.000 2.012 389 L HA -0.131 4.203 4.340 -0.009 0.000 0.210 389 L C 2.281 178.883 176.870 -0.447 0.000 1.073 389 L CA 1.840 56.257 54.840 -0.704 0.000 0.748 389 L CB -0.640 41.059 42.059 -0.600 0.000 0.891 389 L HN 0.424 nan 8.230 nan 0.000 0.431 390 L N -2.009 119.005 121.223 -0.348 0.000 2.056 390 L HA -0.188 4.147 4.340 -0.009 0.000 0.207 390 L C 2.456 178.905 176.870 -0.703 0.000 1.078 390 L CA 1.087 55.624 54.840 -0.505 0.000 0.749 390 L CB -0.769 40.986 42.059 -0.507 0.000 0.901 390 L HN 0.257 nan 8.230 nan 0.000 0.433 391 F N 0.156 119.690 119.950 -0.693 0.000 2.146 391 F HA -0.271 4.250 4.527 -0.009 0.000 0.298 391 F C 2.588 178.135 175.800 -0.421 0.000 1.096 391 F CA 1.217 58.899 58.000 -0.530 0.000 1.275 391 F CB -0.594 38.041 39.000 -0.609 0.000 1.008 391 F HN 0.054 nan 8.300 nan 0.000 0.480 392 Y N 0.547 120.571 120.300 -0.459 0.000 2.181 392 Y HA -0.176 4.369 4.550 -0.009 0.000 0.288 392 Y C 1.948 177.502 175.900 -0.577 0.000 1.146 392 Y CA 1.838 59.641 58.100 -0.494 0.000 1.164 392 Y CB -0.766 37.457 38.460 -0.396 0.000 0.982 392 Y HN 0.109 nan 8.280 nan 0.000 0.515 393 L N 0.294 121.004 121.223 -0.856 0.000 2.093 393 L HA -0.159 4.176 4.340 -0.009 0.000 0.208 393 L C 2.606 178.897 176.870 -0.965 0.000 1.085 393 L CA 1.749 56.011 54.840 -0.962 0.000 0.755 393 L CB -0.681 40.964 42.059 -0.690 0.000 0.904 393 L HN 0.291 nan 8.230 nan 0.000 0.435 394 E N 0.465 119.994 120.200 -1.118 0.000 2.085 394 E HA -0.284 4.060 4.350 -0.009 0.000 0.194 394 E C 2.050 178.392 176.600 -0.430 0.000 0.994 394 E CA 1.524 57.481 56.400 -0.739 0.000 0.801 394 E CB 0.027 29.481 29.700 -0.409 0.000 0.743 394 E HN 0.584 nan 8.360 nan 0.000 0.453 395 Q N -0.225 119.265 119.800 -0.515 0.000 2.378 395 Q HA -0.068 4.266 4.340 -0.009 0.000 0.205 395 Q C 2.085 177.869 176.000 -0.360 0.000 0.954 395 Q CA 0.393 55.956 55.803 -0.400 0.000 0.901 395 Q CB 0.138 28.596 28.738 -0.466 0.000 0.981 395 Q HN 0.254 nan 8.270 nan 0.000 0.483 396 L N -0.057 120.872 121.223 -0.489 0.000 2.162 396 L HA 0.010 4.345 4.340 -0.009 0.000 0.205 396 L C 1.521 178.154 176.870 -0.395 0.000 1.086 396 L CA 1.445 56.000 54.840 -0.475 0.000 0.778 396 L CB 0.107 41.727 42.059 -0.733 0.000 0.928 396 L HN 0.133 nan 8.230 nan 0.000 0.446 397 L N -0.827 120.139 121.223 -0.430 0.000 2.592 397 L HA 0.341 4.676 4.340 -0.009 0.000 0.227 397 L C 1.206 177.963 176.870 -0.189 0.000 1.127 397 L CA 0.605 55.205 54.840 -0.400 0.000 0.884 397 L CB -0.181 41.465 42.059 -0.689 0.000 1.065 397 L HN 0.500 nan 8.230 nan 0.000 0.457 398 G N -0.901 107.815 108.800 -0.140 0.000 2.183 398 G HA2 0.094 4.049 3.960 -0.009 0.000 0.168 398 G HA3 0.094 4.049 3.960 -0.009 0.000 0.168 398 G C 0.414 175.320 174.900 0.010 0.000 1.008 398 G CA -0.381 44.692 45.100 -0.046 0.000 0.677 398 G HN 0.711 nan 8.290 nan 0.000 0.498 399 G N -0.762 108.043 108.800 0.009 0.000 2.497 399 G HA2 0.418 4.373 3.960 -0.009 0.000 0.686 399 G HA3 0.418 4.373 3.960 -0.009 0.000 0.686 399 G C -1.035 173.980 174.900 0.192 0.000 1.288 399 G CA 0.202 45.348 45.100 0.078 0.000 0.899 399 G HN 0.539 nan 8.290 nan 0.000 0.608 400 P HA -0.132 nan 4.420 nan 0.000 0.215 400 P C 1.306 178.784 177.300 0.298 0.000 1.157 400 P CA 2.007 65.335 63.100 0.380 0.000 0.874 400 P CB 0.037 31.997 31.700 0.433 0.000 0.790 401 E N -0.442 119.881 120.200 0.206 0.000 2.153 401 E HA -0.117 4.228 4.350 -0.009 0.000 0.194 401 E C 2.306 179.022 176.600 0.194 0.000 0.988 401 E CA 0.813 57.306 56.400 0.153 0.000 0.811 401 E CB -0.455 29.314 29.700 0.114 0.000 0.746 401 E HN 0.325 nan 8.360 nan 0.000 0.466 402 I N 0.127 120.845 120.570 0.247 0.000 2.286 402 I HA -0.212 3.953 4.170 -0.009 0.000 0.245 402 I C 2.162 178.552 176.117 0.456 0.000 1.104 402 I CA 0.721 62.214 61.300 0.322 0.000 1.397 402 I CB -0.084 38.101 38.000 0.308 0.000 1.072 402 I HN 0.012 nan 8.210 nan 0.000 0.417 403 F N 1.032 121.174 119.950 0.321 0.000 2.234 403 F HA -0.130 4.391 4.527 -0.009 0.000 0.299 403 F C 2.160 178.180 175.800 0.367 0.000 1.087 403 F CA 1.356 59.593 58.000 0.394 0.000 1.340 403 F CB -0.136 39.033 39.000 0.281 0.000 1.031 403 F HN -0.084 nan 8.300 nan 0.000 0.500 404 L N -0.875 120.543 121.223 0.324 0.000 2.141 404 L HA -0.139 4.195 4.340 -0.009 0.000 0.209 404 L C 2.681 179.567 176.870 0.027 0.000 1.094 404 L CA 1.211 56.133 54.840 0.136 0.000 0.763 404 L CB -1.293 40.762 42.059 -0.007 0.000 0.908 404 L HN 0.258 nan 8.230 nan 0.000 0.437 405 G N -0.291 108.552 108.800 0.072 0.000 2.422 405 G HA2 -0.335 3.619 3.960 -0.009 0.000 0.218 405 G HA3 -0.335 3.619 3.960 -0.009 0.000 0.218 405 G C 1.447 176.217 174.900 -0.216 0.000 1.146 405 G CA 0.549 45.670 45.100 0.036 0.000 0.769 405 G HN 0.382 nan 8.290 nan 0.000 0.547 406 F N 0.772 120.375 119.950 -0.578 0.000 2.259 406 F HA 0.148 4.669 4.527 -0.009 0.000 0.298 406 F C 2.101 177.580 175.800 -0.534 0.000 1.088 406 F CA 0.724 58.004 58.000 -1.200 0.000 1.358 406 F CB -0.180 38.152 39.000 -1.114 0.000 1.040 406 F HN 0.086 nan 8.300 nan 0.000 0.505 407 L N 1.161 122.060 121.223 -0.538 0.000 2.027 407 L HA -0.134 4.201 4.340 -0.009 0.000 0.206 407 L C 2.555 179.286 176.870 -0.231 0.000 1.074 407 L CA 2.048 56.678 54.840 -0.351 0.000 0.745 407 L CB -0.995 41.075 42.059 0.017 0.000 0.898 407 L HN 0.221 nan 8.230 nan 0.000 0.433 408 K N -0.794 119.486 120.400 -0.200 0.000 2.057 408 K HA -0.150 4.165 4.320 -0.009 0.000 0.207 408 K C 1.967 178.456 176.600 -0.185 0.000 1.049 408 K CA 1.304 57.497 56.287 -0.157 0.000 0.931 408 K CB -0.227 32.203 32.500 -0.115 0.000 0.714 408 K HN 0.401 nan 8.250 nan 0.000 0.440 409 A N 0.356 123.042 122.820 -0.224 0.000 1.969 409 A HA -0.182 4.132 4.320 -0.009 0.000 0.218 409 A C 2.024 179.418 177.584 -0.317 0.000 1.169 409 A CA 1.349 53.289 52.037 -0.162 0.000 0.635 409 A CB -0.811 18.183 19.000 -0.011 0.000 0.810 409 A HN 0.626 nan 8.150 nan 0.000 0.445 410 Y N 0.593 120.559 120.300 -0.557 0.000 2.145 410 Y HA -0.164 4.380 4.550 -0.009 0.000 0.286 410 Y C 2.210 177.829 175.900 -0.467 0.000 1.145 410 Y CA 1.937 59.624 58.100 -0.689 0.000 1.148 410 Y CB -0.529 37.465 38.460 -0.777 0.000 0.981 410 Y HN 0.040 nan 8.280 nan 0.000 0.507 411 V N 1.108 120.760 119.914 -0.436 0.000 2.343 411 V HA -0.302 3.813 4.120 -0.009 0.000 0.247 411 V C 2.216 178.093 176.094 -0.361 0.000 1.051 411 V CA 2.362 64.432 62.300 -0.382 0.000 1.036 411 V CB -0.658 31.113 31.823 -0.088 0.000 0.654 411 V HN 0.463 nan 8.190 nan 0.000 0.451 412 E N 0.072 120.085 120.200 -0.312 0.000 2.031 412 E HA -0.295 4.050 4.350 -0.009 0.000 0.193 412 E C 2.226 178.592 176.600 -0.391 0.000 0.994 412 E CA 1.550 57.788 56.400 -0.271 0.000 0.800 412 E CB -0.224 29.362 29.700 -0.191 0.000 0.752 412 E HN 0.414 nan 8.360 nan 0.000 0.447 413 K N 0.643 120.667 120.400 -0.627 0.000 2.063 413 K HA -0.147 4.168 4.320 -0.009 0.000 0.208 413 K C 0.946 176.984 176.600 -0.937 0.000 1.048 413 K CA 1.394 57.117 56.287 -0.940 0.000 0.928 413 K CB -0.141 31.316 32.500 -1.738 0.000 0.713 413 K HN 0.045 nan 8.250 nan 0.000 0.442 414 F N 0.752 120.381 119.950 -0.536 0.000 2.684 414 F HA 0.386 4.908 4.527 -0.008 0.000 0.298 414 F C 0.162 175.738 175.800 -0.373 0.000 1.120 414 F CA -0.578 57.161 58.000 -0.435 0.000 1.332 414 F CB -0.143 38.542 39.000 -0.525 0.000 0.986 414 F HN -0.258 nan 8.300 nan 0.000 0.524 415 S N 0.051 115.591 115.700 -0.266 0.000 2.552 415 S HA -0.014 4.450 4.470 -0.009 0.000 0.289 415 S C 0.088 174.492 174.600 -0.327 0.000 1.304 415 S CA 0.231 58.168 58.200 -0.438 0.000 1.063 415 S CB -0.338 62.522 63.200 -0.566 0.000 0.848 415 S HN 0.529 nan 8.310 nan 0.000 0.499 416 Y N -0.682 119.563 120.300 -0.091 0.000 4.409 416 Y HA -0.283 4.262 4.550 -0.009 0.000 0.228 416 Y C 0.411 176.280 175.900 -0.052 0.000 1.108 416 Y CA 0.641 58.695 58.100 -0.078 0.000 1.955 416 Y CB -1.966 36.432 38.460 -0.104 0.000 1.615 416 Y HN 0.471 nan 8.280 nan 0.000 0.665 417 K N -0.395 120.014 120.400 0.015 0.000 2.346 417 K HA 0.803 5.117 4.320 -0.009 0.000 0.238 417 K C -0.357 176.212 176.600 -0.051 0.000 1.039 417 K CA -0.945 55.347 56.287 0.008 0.000 0.861 417 K CB 1.894 34.419 32.500 0.041 0.000 1.278 417 K HN -0.098 nan 8.250 nan 0.000 0.460 418 S N 1.285 116.941 115.700 -0.074 0.000 2.552 418 S HA 0.528 4.993 4.470 -0.009 0.000 0.314 418 S C -0.713 173.778 174.600 -0.182 0.000 1.099 418 S CA -0.823 57.307 58.200 -0.118 0.000 1.070 418 S CB 0.305 63.453 63.200 -0.087 0.000 0.998 418 S HN 0.533 nan 8.310 nan 0.000 0.474 419 I N 0.243 120.657 120.570 -0.260 0.000 3.108 419 I HA 0.835 5.000 4.170 -0.009 0.000 0.312 419 I C 0.010 175.927 176.117 -0.332 0.000 1.095 419 I CA -0.891 60.200 61.300 -0.348 0.000 1.000 419 I CB 2.187 39.816 38.000 -0.619 0.000 1.229 419 I HN 0.542 nan 8.210 nan 0.000 0.454 420 T N -1.300 113.039 114.554 -0.359 0.000 2.937 420 T HA 0.343 4.688 4.350 -0.009 0.000 0.283 420 T C 0.865 175.395 174.700 -0.284 0.000 1.012 420 T CA -0.186 61.569 62.100 -0.574 0.000 0.997 420 T CB 1.377 69.916 68.868 -0.549 0.000 1.136 420 T HN 0.685 nan 8.240 nan 0.000 0.551 421 T N 0.879 115.320 114.554 -0.189 0.000 2.759 421 T HA -0.108 4.237 4.350 -0.009 0.000 0.269 421 T C 1.416 176.328 174.700 0.353 0.000 1.042 421 T CA 1.548 63.846 62.100 0.330 0.000 1.140 421 T CB -0.551 68.715 68.868 0.664 0.000 0.864 421 T HN 0.636 nan 8.240 nan 0.000 0.455 422 D N 1.196 121.708 120.400 0.187 0.000 2.144 422 D HA -0.086 4.548 4.640 -0.009 0.000 0.199 422 D C 1.950 178.327 176.300 0.128 0.000 0.984 422 D CA 0.859 54.950 54.000 0.151 0.000 0.834 422 D CB -0.297 40.558 40.800 0.091 0.000 0.955 422 D HN 0.372 nan 8.370 nan 0.000 0.465 423 D N -0.185 120.252 120.400 0.060 0.000 2.117 423 D HA -0.150 4.484 4.640 -0.009 0.000 0.197 423 D C 1.926 178.341 176.300 0.192 0.000 0.987 423 D CA 0.586 54.602 54.000 0.026 0.000 0.829 423 D CB -0.375 40.264 40.800 -0.270 0.000 0.961 423 D HN 0.343 nan 8.370 nan 0.000 0.460 424 W N 2.499 123.824 121.300 0.042 0.000 2.355 424 W HA -0.167 4.487 4.660 -0.009 0.000 0.309 424 W C 2.341 179.067 176.519 0.345 0.000 1.206 424 W CA 1.633 59.130 57.345 0.252 0.000 1.284 424 W CB -0.156 29.397 29.460 0.156 0.000 1.145 424 W HN -0.177 nan 8.180 nan 0.000 0.502 425 K N 0.071 120.609 120.400 0.229 0.000 2.097 425 K HA -0.208 4.106 4.320 -0.009 0.000 0.206 425 K C 1.585 178.144 176.600 -0.067 0.000 1.049 425 K CA 1.991 58.175 56.287 -0.170 0.000 0.933 425 K CB -0.411 32.043 32.500 -0.077 0.000 0.717 425 K HN 0.064 nan 8.250 nan 0.000 0.442 426 D N 0.107 120.546 120.400 0.064 0.000 2.117 426 D HA -0.159 4.476 4.640 -0.009 0.000 0.198 426 D C 1.600 178.013 176.300 0.189 0.000 0.982 426 D CA 0.877 54.938 54.000 0.102 0.000 0.828 426 D CB -0.294 40.584 40.800 0.129 0.000 0.967 426 D HN 0.180 nan 8.370 nan 0.000 0.464 427 F N 1.128 121.182 119.950 0.173 0.000 2.186 427 F HA -0.089 4.433 4.527 -0.009 0.000 0.299 427 F C 2.073 177.985 175.800 0.186 0.000 1.090 427 F CA 0.540 58.676 58.000 0.225 0.000 1.307 427 F CB -0.276 38.968 39.000 0.407 0.000 1.019 427 F HN -0.112 nan 8.300 nan 0.000 0.489 428 L N -0.576 120.618 121.223 -0.048 0.000 2.017 428 L HA -0.247 4.088 4.340 -0.009 0.000 0.208 428 L C 2.083 178.847 176.870 -0.177 0.000 1.073 428 L CA 1.949 56.581 54.840 -0.346 0.000 0.745 428 L CB -1.200 40.425 42.059 -0.724 0.000 0.894 428 L HN 0.151 nan 8.230 nan 0.000 0.432 429 Y N -0.854 119.338 120.300 -0.178 0.000 2.274 429 Y HA -0.224 4.321 4.550 -0.009 0.000 0.290 429 Y C 3.043 178.883 175.900 -0.099 0.000 1.145 429 Y CA 1.741 59.787 58.100 -0.091 0.000 1.203 429 Y CB -0.676 37.729 38.460 -0.092 0.000 0.984 429 Y HN 0.392 nan 8.280 nan 0.000 0.533 430 S N -1.002 114.682 115.700 -0.027 0.000 2.355 430 S HA -0.263 4.202 4.470 -0.009 0.000 0.222 430 S C 2.045 176.490 174.600 -0.257 0.000 1.031 430 S CA 1.191 59.318 58.200 -0.122 0.000 0.993 430 S CB -0.764 62.358 63.200 -0.130 0.000 0.859 430 S HN 0.524 nan 8.310 nan 0.000 0.453 431 Y N 0.910 120.849 120.300 -0.601 0.000 2.145 431 Y HA 0.059 4.603 4.550 -0.009 0.000 0.286 431 Y C 0.701 176.246 175.900 -0.591 0.000 1.145 431 Y CA 1.554 59.234 58.100 -0.700 0.000 1.148 431 Y CB -0.242 37.684 38.460 -0.890 0.000 0.981 431 Y HN 0.337 nan 8.280 nan 0.000 0.507 432 F N 1.776 121.604 119.950 -0.203 0.000 2.986 432 F HA 0.219 4.741 4.527 -0.009 0.000 0.297 432 F C 1.560 177.224 175.800 -0.227 0.000 1.210 432 F CA -0.609 57.248 58.000 -0.238 0.000 1.346 432 F CB -0.403 38.456 39.000 -0.236 0.000 1.007 432 F HN 0.047 nan 8.300 nan 0.000 0.512 433 K N -0.884 119.472 120.400 -0.072 0.000 2.063 433 K HA -0.174 4.140 4.320 -0.009 0.000 0.208 433 K C 0.509 177.091 176.600 -0.031 0.000 1.048 433 K CA 1.826 58.089 56.287 -0.040 0.000 0.928 433 K CB -0.233 32.234 32.500 -0.055 0.000 0.713 433 K HN 0.114 nan 8.250 nan 0.000 0.442 434 D N 1.281 121.653 120.400 -0.046 0.000 2.358 434 D HA 0.003 4.638 4.640 -0.009 0.000 0.241 434 D C 0.205 176.489 176.300 -0.026 0.000 1.094 434 D CA 0.750 54.729 54.000 -0.035 0.000 0.907 434 D CB 0.277 41.048 40.800 -0.048 0.000 0.893 434 D HN 0.380 nan 8.370 nan 0.000 0.528 435 K N -0.178 120.204 120.400 -0.030 0.000 2.761 435 K HA 0.060 4.375 4.320 -0.009 0.000 0.196 435 K C 1.476 178.004 176.600 -0.120 0.000 1.134 435 K CA 0.076 56.319 56.287 -0.073 0.000 1.082 435 K CB 1.396 33.838 32.500 -0.096 0.000 0.768 435 K HN -0.088 nan 8.250 nan 0.000 0.475 436 V N -1.807 118.061 119.914 -0.077 0.000 2.490 436 V HA -0.219 3.895 4.120 -0.009 0.000 0.250 436 V C 1.468 177.563 176.094 0.001 0.000 1.061 436 V CA 1.618 63.882 62.300 -0.061 0.000 1.064 436 V CB -0.260 31.612 31.823 0.082 0.000 0.670 436 V HN 0.149 nan 8.190 nan 0.000 0.461 437 D N 0.886 121.283 120.400 -0.004 0.000 2.144 437 D HA -0.106 4.529 4.640 -0.009 0.000 0.199 437 D C 2.309 178.597 176.300 -0.019 0.000 0.984 437 D CA 1.649 55.656 54.000 0.011 0.000 0.834 437 D CB -0.252 40.547 40.800 -0.001 0.000 0.955 437 D HN 0.469 nan 8.370 nan 0.000 0.465 438 V N 1.167 121.033 119.914 -0.079 0.000 2.307 438 V HA -0.188 3.926 4.120 -0.009 0.000 0.245 438 V C 2.670 178.673 176.094 -0.151 0.000 1.045 438 V CA 1.035 63.256 62.300 -0.132 0.000 1.024 438 V CB -0.407 31.297 31.823 -0.198 0.000 0.651 438 V HN 0.176 nan 8.190 nan 0.000 0.449 439 L N 0.009 121.124 121.223 -0.180 0.000 2.131 439 L HA -0.205 4.130 4.340 -0.009 0.000 0.210 439 L C 1.966 178.936 176.870 0.166 0.000 1.092 439 L CA 1.804 56.554 54.840 -0.150 0.000 0.759 439 L CB -0.669 41.048 42.059 -0.569 0.000 0.903 439 L HN 0.454 nan 8.230 nan 0.000 0.435 440 N N -0.855 117.959 118.700 0.190 0.000 2.571 440 N HA -0.151 4.583 4.740 -0.009 0.000 0.189 440 N C 1.348 176.947 175.510 0.149 0.000 1.154 440 N CA -0.049 53.170 53.050 0.282 0.000 0.907 440 N CB 0.159 38.785 38.487 0.232 0.000 0.977 440 N HN 0.203 nan 8.380 nan 0.000 0.449 441 Q N 0.403 120.230 119.800 0.046 0.000 2.319 441 Q HA 0.091 4.426 4.340 -0.009 0.000 0.202 441 Q C -0.074 175.918 176.000 -0.013 0.000 0.896 441 Q CA -0.034 55.777 55.803 0.014 0.000 0.942 441 Q CB 0.613 29.342 28.738 -0.015 0.000 1.083 441 Q HN 0.243 nan 8.270 nan 0.000 0.510 442 V N -0.592 119.243 119.914 -0.132 0.000 2.567 442 V HA 0.338 4.453 4.120 -0.009 0.000 0.289 442 V C -0.053 175.891 176.094 -0.249 0.000 1.049 442 V CA -0.794 61.367 62.300 -0.233 0.000 0.969 442 V CB 1.622 33.057 31.823 -0.646 0.000 0.995 442 V HN 0.006 nan 8.190 nan 0.000 0.471 443 D N 4.582 124.980 120.400 -0.004 0.000 2.551 443 D HA 0.127 4.762 4.640 -0.009 0.000 0.223 443 D C 0.753 177.169 176.300 0.193 0.000 1.144 443 D CA 0.008 54.062 54.000 0.090 0.000 1.025 443 D CB -0.302 40.537 40.800 0.064 0.000 1.085 443 D HN 0.778 nan 8.370 nan 0.000 0.506 444 W N 1.864 123.340 121.300 0.292 0.000 2.318 444 W HA -0.226 4.427 4.660 -0.011 0.000 0.313 444 W C 2.412 179.059 176.519 0.214 0.000 1.221 444 W CA 0.719 58.224 57.345 0.267 0.000 1.266 444 W CB -0.361 29.240 29.460 0.236 0.000 1.150 444 W HN 0.353 nan 8.180 nan 0.000 0.496 445 N N 0.782 119.753 118.700 0.452 0.000 2.149 445 N HA -0.189 4.546 4.740 -0.009 0.000 0.188 445 N C 1.672 177.340 175.510 0.264 0.000 1.019 445 N CA 1.915 55.208 53.050 0.405 0.000 0.857 445 N CB -0.287 38.395 38.487 0.326 0.000 0.997 445 N HN 0.178 nan 8.380 nan 0.000 0.426 446 A N 0.179 123.097 122.820 0.164 0.000 1.854 446 A HA -0.082 4.232 4.320 -0.009 0.000 0.214 446 A C 2.073 179.637 177.584 -0.034 0.000 1.192 446 A CA 0.901 52.950 52.037 0.020 0.000 0.611 446 A CB -1.275 17.672 19.000 -0.089 0.000 0.832 446 A HN 0.495 nan 8.150 nan 0.000 0.442 447 W N 0.157 121.425 121.300 -0.054 0.000 2.335 447 W HA -0.132 4.523 4.660 -0.008 0.000 0.311 447 W C 2.136 178.531 176.519 -0.206 0.000 1.213 447 W CA 1.534 58.807 57.345 -0.120 0.000 1.274 447 W CB -0.279 29.114 29.460 -0.111 0.000 1.148 447 W HN 0.221 nan 8.180 nan 0.000 0.498 448 L N -2.257 118.964 121.223 -0.004 0.000 2.162 448 L HA -0.098 4.236 4.340 -0.009 0.000 0.205 448 L C 1.206 177.746 176.870 -0.550 0.000 1.086 448 L CA 0.917 55.489 54.840 -0.448 0.000 0.778 448 L CB -0.520 41.065 42.059 -0.791 0.000 0.928 448 L HN 0.041 nan 8.230 nan 0.000 0.446 449 Y N -1.529 118.840 120.300 0.116 0.000 2.500 449 Y HA 0.278 4.823 4.550 -0.008 0.000 0.246 449 Y C 0.881 176.810 175.900 0.049 0.000 1.146 449 Y CA -0.733 57.418 58.100 0.084 0.000 1.230 449 Y CB 0.219 38.741 38.460 0.103 0.000 1.214 449 Y HN -0.122 nan 8.280 nan 0.000 0.526 450 S N 3.418 119.189 115.700 0.119 0.000 2.565 450 S HA 0.427 4.892 4.470 -0.009 0.000 0.290 450 S C -2.483 172.124 174.600 0.010 0.000 1.150 450 S CA -1.313 56.921 58.200 0.057 0.000 1.058 450 S CB 1.544 64.751 63.200 0.011 0.000 1.032 450 S HN -0.039 nan 8.310 nan 0.000 0.510 451 P HA 0.486 nan 4.420 nan 0.000 0.277 451 P C 0.385 177.665 177.300 -0.032 0.000 1.271 451 P CA 0.127 63.231 63.100 0.008 0.000 0.795 451 P CB 0.239 31.953 31.700 0.024 0.000 1.101 452 G N -0.725 108.058 108.800 -0.028 0.000 2.796 452 G HA2 -0.176 3.779 3.960 -0.009 0.000 0.571 452 G HA3 -0.176 3.779 3.960 -0.009 0.000 0.571 452 G C -0.567 174.254 174.900 -0.133 0.000 1.370 452 G CA -0.615 44.446 45.100 -0.065 0.000 0.856 452 G HN 0.568 nan 8.290 nan 0.000 0.538 453 L N 1.218 122.342 121.223 -0.164 0.000 2.499 453 L HA 0.210 4.544 4.340 -0.009 0.000 0.281 453 L C -1.295 175.403 176.870 -0.286 0.000 1.234 453 L CA -1.046 53.645 54.840 -0.247 0.000 0.839 453 L CB -0.021 41.922 42.059 -0.194 0.000 1.104 453 L HN 0.423 nan 8.230 nan 0.000 0.500 454 P HA 0.021 nan 4.420 nan 0.000 0.269 454 P C -1.957 174.973 177.300 -0.616 0.000 1.217 454 P CA -0.891 61.725 63.100 -0.807 0.000 0.783 454 P CB -0.025 31.018 31.700 -1.095 0.000 0.898 455 P HA 0.068 nan 4.420 nan 0.000 0.242 455 P C 0.102 177.209 177.300 -0.321 0.000 1.197 455 P CA 1.173 64.004 63.100 -0.448 0.000 0.765 455 P CB 0.433 31.878 31.700 -0.426 0.000 0.936 456 I N -1.586 118.766 120.570 -0.363 0.000 2.743 456 I HA 0.306 4.471 4.170 -0.009 0.000 0.292 456 I C -1.384 174.676 176.117 -0.095 0.000 1.343 456 I CA -1.128 60.052 61.300 -0.200 0.000 1.038 456 I CB 2.762 40.602 38.000 -0.266 0.000 1.311 456 I HN -0.370 nan 8.210 nan 0.000 0.426 457 K N 8.199 128.528 120.400 -0.118 0.000 2.183 457 K HA 0.605 4.919 4.320 -0.009 0.000 0.274 457 K C -2.492 174.007 176.600 -0.167 0.000 1.009 457 K CA -1.454 54.653 56.287 -0.299 0.000 0.888 457 K CB 1.254 33.401 32.500 -0.587 0.000 1.078 457 K HN 0.290 nan 8.250 nan 0.000 0.459 458 P HA 0.030 nan 4.420 nan 0.000 0.272 458 P C -1.127 175.966 177.300 -0.346 0.000 1.254 458 P CA -0.394 62.556 63.100 -0.250 0.000 0.795 458 P CB 0.444 31.930 31.700 -0.356 0.000 1.022 459 N N 0.546 118.993 118.700 -0.423 0.000 2.455 459 N HA 0.224 4.959 4.740 -0.009 0.000 0.280 459 N C -0.938 174.446 175.510 -0.209 0.000 1.055 459 N CA 0.045 52.970 53.050 -0.208 0.000 0.961 459 N CB 0.329 38.732 38.487 -0.140 0.000 1.121 459 N HN 0.358 nan 8.380 nan 0.000 0.476 460 Y N -0.418 119.982 120.300 0.167 0.000 2.361 460 Y HA 0.167 4.712 4.550 -0.009 0.000 0.337 460 Y C 0.321 176.384 175.900 0.272 0.000 0.965 460 Y CA -1.221 57.096 58.100 0.362 0.000 1.091 460 Y CB 1.221 39.826 38.460 0.242 0.000 1.182 460 Y HN 0.447 nan 8.280 nan 0.000 0.450 461 D N 2.510 123.177 120.400 0.445 0.000 2.443 461 D HA 0.069 4.704 4.640 -0.009 0.000 0.239 461 D C 0.468 176.914 176.300 0.243 0.000 1.136 461 D CA 0.347 54.432 54.000 0.141 0.000 0.879 461 D CB 0.793 41.524 40.800 -0.115 0.000 1.195 461 D HN 0.447 nan 8.370 nan 0.000 0.443 462 M N 2.355 122.057 119.600 0.170 0.000 2.313 462 M HA 0.030 4.504 4.480 -0.009 0.000 0.273 462 M C 1.538 177.940 176.300 0.170 0.000 1.049 462 M CA 0.076 55.480 55.300 0.173 0.000 1.004 462 M CB -0.297 32.379 32.600 0.127 0.000 1.461 462 M HN 0.416 nan 8.290 nan 0.000 0.514 463 T N 1.928 116.572 114.554 0.150 0.000 2.653 463 T HA -0.146 4.199 4.350 -0.009 0.000 0.268 463 T C 1.845 176.634 174.700 0.148 0.000 1.035 463 T CA 1.515 63.691 62.100 0.127 0.000 1.154 463 T CB -0.236 68.690 68.868 0.097 0.000 0.862 463 T HN 0.380 nan 8.240 nan 0.000 0.441 464 L N 0.394 121.741 121.223 0.206 0.000 2.509 464 L HA 0.070 4.404 4.340 -0.009 0.000 0.222 464 L C 2.581 179.652 176.870 0.335 0.000 1.123 464 L CA 0.655 55.598 54.840 0.171 0.000 0.856 464 L CB -0.470 41.591 42.059 0.003 0.000 0.985 464 L HN 0.251 nan 8.230 nan 0.000 0.456 465 T N -0.992 113.807 114.554 0.408 0.000 2.937 465 T HA -0.050 4.295 4.350 -0.009 0.000 0.260 465 T C 1.572 176.410 174.700 0.231 0.000 1.051 465 T CA 0.915 63.233 62.100 0.363 0.000 1.141 465 T CB -0.205 68.794 68.868 0.218 0.000 0.879 465 T HN 0.373 nan 8.240 nan 0.000 0.459 466 N N 1.737 120.544 118.700 0.178 0.000 2.037 466 N HA -0.177 4.558 4.740 -0.009 0.000 0.196 466 N C 2.157 177.752 175.510 0.142 0.000 1.034 466 N CA 1.250 54.383 53.050 0.138 0.000 0.861 466 N CB -0.230 38.323 38.487 0.109 0.000 1.039 466 N HN 0.355 nan 8.380 nan 0.000 0.427 467 A N 0.499 123.401 122.820 0.136 0.000 1.972 467 A HA -0.152 4.162 4.320 -0.009 0.000 0.219 467 A C 2.410 180.095 177.584 0.168 0.000 1.169 467 A CA 1.120 53.231 52.037 0.124 0.000 0.635 467 A CB -0.841 18.211 19.000 0.086 0.000 0.810 467 A HN 0.512 nan 8.150 nan 0.000 0.446 468 C N -0.839 118.591 119.300 0.216 0.000 2.453 468 C HA -0.024 4.431 4.460 -0.009 0.000 0.277 468 C C 2.501 177.674 174.990 0.305 0.000 1.262 468 C CA 0.820 60.012 59.018 0.291 0.000 1.718 468 C CB -1.359 26.568 27.740 0.313 0.000 2.031 468 C HN 0.633 nan 8.230 nan 0.000 0.480 469 I N 1.681 122.384 120.570 0.221 0.000 2.226 469 I HA -0.213 3.951 4.170 -0.009 0.000 0.245 469 I C 2.769 179.012 176.117 0.209 0.000 1.100 469 I CA 1.617 63.030 61.300 0.187 0.000 1.374 469 I CB -0.484 37.596 38.000 0.133 0.000 1.057 469 I HN 0.294 nan 8.210 nan 0.000 0.413 470 A N 0.389 123.324 122.820 0.193 0.000 1.902 470 A HA -0.202 4.112 4.320 -0.009 0.000 0.217 470 A C 2.225 179.958 177.584 0.249 0.000 1.181 470 A CA 1.470 53.616 52.037 0.181 0.000 0.623 470 A CB -0.725 18.356 19.000 0.135 0.000 0.818 470 A HN 0.370 nan 8.150 nan 0.000 0.443 471 L N -0.510 120.894 121.223 0.301 0.000 2.109 471 L HA -0.043 4.292 4.340 -0.009 0.000 0.207 471 L C 2.611 179.900 176.870 0.698 0.000 1.086 471 L CA 2.310 57.397 54.840 0.412 0.000 0.760 471 L CB -0.691 41.496 42.059 0.213 0.000 0.910 471 L HN 0.342 nan 8.230 nan 0.000 0.437 472 S N -1.260 114.840 115.700 0.667 0.000 2.359 472 S HA -0.221 4.244 4.470 -0.009 0.000 0.224 472 S C 1.986 176.824 174.600 0.397 0.000 1.035 472 S CA 1.292 59.800 58.200 0.513 0.000 1.018 472 S CB -0.209 63.127 63.200 0.227 0.000 0.876 472 S HN 0.547 nan 8.310 nan 0.000 0.448 473 Q N 0.800 120.781 119.800 0.302 0.000 2.124 473 Q HA -0.036 4.299 4.340 -0.009 0.000 0.202 473 Q C 2.384 178.541 176.000 0.260 0.000 0.977 473 Q CA 1.218 57.159 55.803 0.230 0.000 0.850 473 Q CB -0.431 28.407 28.738 0.168 0.000 0.901 473 Q HN 0.576 nan 8.270 nan 0.000 0.429 474 R N -0.897 119.788 120.500 0.308 0.000 2.083 474 R HA -0.177 4.158 4.340 -0.009 0.000 0.237 474 R C 2.145 178.655 176.300 0.351 0.000 1.137 474 R CA 1.603 57.877 56.100 0.290 0.000 0.951 474 R CB -0.342 30.153 30.300 0.325 0.000 0.851 474 R HN 0.315 nan 8.270 nan 0.000 0.434 475 W N 0.778 122.285 121.300 0.345 0.000 2.381 475 W HA -0.048 4.607 4.660 -0.009 0.000 0.301 475 W C 2.042 178.711 176.519 0.250 0.000 1.205 475 W CA 0.713 58.178 57.345 0.199 0.000 1.285 475 W CB -0.245 29.276 29.460 0.102 0.000 1.133 475 W HN 0.006 nan 8.180 nan 0.000 0.521 476 I N -0.098 120.714 120.570 0.403 0.000 2.179 476 I HA -0.288 3.877 4.170 -0.009 0.000 0.242 476 I C 2.515 178.754 176.117 0.202 0.000 1.088 476 I CA 1.925 63.371 61.300 0.243 0.000 1.357 476 I CB -0.996 37.099 38.000 0.159 0.000 1.051 476 I HN 0.006 nan 8.210 nan 0.000 0.409 477 T N -0.923 113.748 114.554 0.194 0.000 3.088 477 T HA 0.261 4.606 4.350 -0.009 0.000 0.259 477 T C 0.935 175.733 174.700 0.164 0.000 1.122 477 T CA 0.125 62.312 62.100 0.146 0.000 1.095 477 T CB -0.370 68.564 68.868 0.110 0.000 0.930 477 T HN 0.227 nan 8.240 nan 0.000 0.508 478 A N 2.165 125.123 122.820 0.231 0.000 2.511 478 A HA 0.474 4.789 4.320 -0.009 0.000 0.242 478 A C 0.439 178.183 177.584 0.266 0.000 1.069 478 A CA -0.291 51.861 52.037 0.191 0.000 0.763 478 A CB 0.274 19.373 19.000 0.166 0.000 1.001 478 A HN 0.298 nan 8.150 nan 0.000 0.498 479 K N 0.961 121.434 120.400 0.122 0.000 2.245 479 K HA 0.217 4.532 4.320 -0.009 0.000 0.234 479 K C 1.122 177.756 176.600 0.057 0.000 1.021 479 K CA -0.525 55.843 56.287 0.134 0.000 0.898 479 K CB 0.632 33.173 32.500 0.068 0.000 1.163 479 K HN 0.869 nan 8.250 nan 0.000 0.459 480 E N 1.137 121.382 120.200 0.076 0.000 2.130 480 E HA -0.244 4.101 4.350 -0.009 0.000 0.196 480 E C 0.541 177.118 176.600 -0.039 0.000 0.998 480 E CA 1.935 58.344 56.400 0.014 0.000 0.806 480 E CB 0.091 29.814 29.700 0.038 0.000 0.738 480 E HN 0.562 nan 8.360 nan 0.000 0.459 481 D N -0.308 120.072 120.400 -0.033 0.000 2.336 481 D HA -0.110 4.524 4.640 -0.009 0.000 0.229 481 D C 0.498 176.740 176.300 -0.095 0.000 1.061 481 D CA 0.396 54.362 54.000 -0.055 0.000 0.875 481 D CB 0.007 40.783 40.800 -0.040 0.000 0.904 481 D HN 0.215 nan 8.370 nan 0.000 0.525 482 D N -0.030 120.299 120.400 -0.118 0.000 2.417 482 D HA 0.100 4.735 4.640 -0.009 0.000 0.207 482 D C 2.135 178.269 176.300 -0.277 0.000 1.075 482 D CA -0.122 53.758 54.000 -0.201 0.000 0.851 482 D CB 0.632 41.330 40.800 -0.171 0.000 0.976 482 D HN 0.255 nan 8.370 nan 0.000 0.505 483 L N 1.206 122.324 121.223 -0.175 0.000 2.191 483 L HA -0.108 4.226 4.340 -0.009 0.000 0.212 483 L C 2.209 179.027 176.870 -0.087 0.000 1.103 483 L CA 0.745 55.526 54.840 -0.098 0.000 0.769 483 L CB -0.416 41.573 42.059 -0.117 0.000 0.908 483 L HN 0.044 nan 8.230 nan 0.000 0.438 484 N N -0.030 118.584 118.700 -0.143 0.000 2.396 484 N HA -0.123 4.612 4.740 -0.009 0.000 0.180 484 N C 1.658 177.053 175.510 -0.192 0.000 1.028 484 N CA 1.053 54.027 53.050 -0.125 0.000 0.893 484 N CB 0.252 38.677 38.487 -0.104 0.000 0.967 484 N HN 0.235 nan 8.380 nan 0.000 0.440 485 S N 0.022 115.507 115.700 -0.358 0.000 2.423 485 S HA 0.026 4.491 4.470 -0.009 0.000 0.231 485 S C 0.337 174.646 174.600 -0.485 0.000 1.014 485 S CA 0.338 58.264 58.200 -0.457 0.000 0.965 485 S CB -0.185 62.631 63.200 -0.641 0.000 0.785 485 S HN 0.196 nan 8.310 nan 0.000 0.495 486 F N 2.849 122.652 119.950 -0.244 0.000 2.471 486 F HA 0.392 4.913 4.527 -0.009 0.000 0.353 486 F C 0.884 176.636 175.800 -0.080 0.000 1.113 486 F CA -0.369 57.517 58.000 -0.190 0.000 1.262 486 F CB 0.273 39.056 39.000 -0.362 0.000 1.146 486 F HN 0.063 nan 8.300 nan 0.000 0.578 487 N N 0.609 119.450 118.700 0.235 0.000 2.591 487 N HA 0.330 5.065 4.740 -0.009 0.000 0.263 487 N C 0.258 175.937 175.510 0.283 0.000 1.308 487 N CA -0.040 53.108 53.050 0.162 0.000 0.837 487 N CB 1.969 40.497 38.487 0.068 0.000 1.548 487 N HN 0.543 nan 8.380 nan 0.000 0.493 488 A N 0.686 123.617 122.820 0.186 0.000 2.084 488 A HA -0.176 4.139 4.320 -0.009 0.000 0.221 488 A C 1.781 179.418 177.584 0.087 0.000 1.161 488 A CA 2.646 54.783 52.037 0.167 0.000 0.653 488 A CB -1.059 17.982 19.000 0.068 0.000 0.802 488 A HN 0.820 nan 8.150 nan 0.000 0.457 489 T N -3.102 111.497 114.554 0.076 0.000 3.118 489 T HA -0.053 4.292 4.350 -0.009 0.000 0.260 489 T C 1.011 175.725 174.700 0.024 0.000 1.139 489 T CA 1.091 63.209 62.100 0.029 0.000 1.085 489 T CB -0.330 68.549 68.868 0.018 0.000 0.934 489 T HN 0.379 nan 8.240 nan 0.000 0.518 490 D N 1.852 122.300 120.400 0.081 0.000 2.178 490 D HA 0.003 4.637 4.640 -0.009 0.000 0.201 490 D C 1.751 177.984 176.300 -0.111 0.000 0.980 490 D CA 0.845 54.875 54.000 0.050 0.000 0.842 490 D CB -0.146 40.796 40.800 0.236 0.000 0.948 490 D HN 0.466 nan 8.370 nan 0.000 0.472 491 L N 0.279 121.383 121.223 -0.199 0.000 2.592 491 L HA 0.117 4.452 4.340 -0.009 0.000 0.227 491 L C 2.177 178.972 176.870 -0.126 0.000 1.127 491 L CA -0.033 54.661 54.840 -0.243 0.000 0.884 491 L CB -0.157 41.700 42.059 -0.336 0.000 1.065 491 L HN -0.078 nan 8.230 nan 0.000 0.457 492 K N 1.143 121.496 120.400 -0.079 0.000 2.077 492 K HA -0.236 4.079 4.320 -0.009 0.000 0.213 492 K C 0.898 177.469 176.600 -0.049 0.000 1.051 492 K CA 2.111 58.367 56.287 -0.051 0.000 0.929 492 K CB 0.056 32.537 32.500 -0.031 0.000 0.715 492 K HN 0.269 nan 8.250 nan 0.000 0.451 493 D N 0.353 120.725 120.400 -0.047 0.000 2.358 493 D HA 0.105 4.740 4.640 -0.009 0.000 0.224 493 D C -0.264 176.007 176.300 -0.048 0.000 1.123 493 D CA 0.156 54.132 54.000 -0.041 0.000 0.833 493 D CB 0.256 41.040 40.800 -0.027 0.000 0.946 493 D HN 0.210 nan 8.370 nan 0.000 0.505 494 L N 1.145 122.331 121.223 -0.062 0.000 2.309 494 L HA 0.229 4.564 4.340 -0.009 0.000 0.282 494 L C 1.053 177.884 176.870 -0.064 0.000 1.036 494 L CA -0.604 54.202 54.840 -0.058 0.000 0.806 494 L CB 1.647 43.667 42.059 -0.065 0.000 1.220 494 L HN -0.107 nan 8.230 nan 0.000 0.429 495 S N 0.177 115.836 115.700 -0.068 0.000 2.645 495 S HA 0.131 4.596 4.470 -0.009 0.000 0.266 495 S C 1.209 175.762 174.600 -0.078 0.000 1.258 495 S CA -0.140 58.010 58.200 -0.083 0.000 0.990 495 S CB 1.465 64.608 63.200 -0.094 0.000 0.967 495 S HN 0.729 nan 8.310 nan 0.000 0.556 496 S N 0.188 115.799 115.700 -0.149 0.000 2.399 496 S HA -0.207 4.258 4.470 -0.009 0.000 0.231 496 S C 1.444 175.942 174.600 -0.169 0.000 1.022 496 S CA 1.471 59.560 58.200 -0.185 0.000 0.983 496 S CB -1.194 61.850 63.200 -0.260 0.000 0.803 496 S HN 0.876 nan 8.310 nan 0.000 0.480 497 H N 1.401 120.500 119.070 0.049 0.000 2.389 497 H HA 0.094 4.644 4.556 -0.009 0.000 0.299 497 H C 2.497 177.981 175.328 0.260 0.000 1.081 497 H CA 1.673 57.827 56.048 0.178 0.000 1.345 497 H CB -0.228 29.680 29.762 0.243 0.000 1.393 497 H HN 0.486 nan 8.280 nan 0.000 0.520 498 Q N -0.195 119.730 119.800 0.209 0.000 2.172 498 Q HA -0.092 4.242 4.340 -0.009 0.000 0.200 498 Q C 1.920 178.063 176.000 0.238 0.000 0.964 498 Q CA 0.636 56.593 55.803 0.256 0.000 0.855 498 Q CB 0.031 28.821 28.738 0.087 0.000 0.918 498 Q HN 0.276 nan 8.270 nan 0.000 0.444 499 L N 1.238 122.538 121.223 0.129 0.000 2.017 499 L HA -0.200 4.134 4.340 -0.009 0.000 0.208 499 L C 1.900 178.842 176.870 0.121 0.000 1.073 499 L CA 1.947 56.849 54.840 0.103 0.000 0.745 499 L CB -0.747 41.316 42.059 0.007 0.000 0.894 499 L HN 0.185 nan 8.230 nan 0.000 0.432 500 N N -0.666 118.088 118.700 0.091 0.000 2.104 500 N HA -0.260 4.475 4.740 -0.009 0.000 0.190 500 N C 1.874 177.442 175.510 0.098 0.000 1.024 500 N CA 1.474 54.566 53.050 0.071 0.000 0.853 500 N CB -0.106 38.446 38.487 0.109 0.000 1.008 500 N HN 0.376 nan 8.380 nan 0.000 0.424 501 E N -0.384 119.935 120.200 0.199 0.000 2.106 501 E HA -0.150 4.194 4.350 -0.009 0.000 0.192 501 E C 1.697 178.370 176.600 0.121 0.000 0.984 501 E CA 0.844 57.333 56.400 0.148 0.000 0.806 501 E CB -0.666 29.179 29.700 0.241 0.000 0.750 501 E HN 0.489 nan 8.360 nan 0.000 0.458 502 F N 0.691 120.680 119.950 0.065 0.000 2.095 502 F HA -0.158 4.364 4.527 -0.008 0.000 0.298 502 F C 1.766 177.563 175.800 -0.004 0.000 1.104 502 F CA 1.574 59.601 58.000 0.045 0.000 1.232 502 F CB -0.457 38.565 39.000 0.037 0.000 0.987 502 F HN 0.072 nan 8.300 nan 0.000 0.475 503 L N 0.044 121.063 121.223 -0.341 0.000 2.056 503 L HA -0.157 4.177 4.340 -0.009 0.000 0.207 503 L C 2.854 179.538 176.870 -0.310 0.000 1.078 503 L CA 1.159 55.725 54.840 -0.456 0.000 0.749 503 L CB -1.164 40.729 42.059 -0.277 0.000 0.901 503 L HN 0.291 nan 8.230 nan 0.000 0.433 504 A N -0.871 121.847 122.820 -0.171 0.000 1.902 504 A HA -0.220 4.095 4.320 -0.009 0.000 0.217 504 A C 2.250 179.754 177.584 -0.134 0.000 1.181 504 A CA 1.282 53.245 52.037 -0.123 0.000 0.623 504 A CB -0.370 18.590 19.000 -0.067 0.000 0.818 504 A HN 0.373 nan 8.150 nan 0.000 0.443 505 Q N -0.492 119.228 119.800 -0.132 0.000 2.124 505 Q HA -0.118 4.216 4.340 -0.009 0.000 0.202 505 Q C 2.152 178.069 176.000 -0.137 0.000 0.977 505 Q CA 2.090 57.836 55.803 -0.096 0.000 0.850 505 Q CB -0.826 27.891 28.738 -0.035 0.000 0.901 505 Q HN 0.699 nan 8.270 nan 0.000 0.429 506 T N 1.426 115.821 114.554 -0.264 0.000 2.896 506 T HA -0.066 4.279 4.350 -0.009 0.000 0.263 506 T C 1.826 176.411 174.700 -0.191 0.000 1.050 506 T CA 0.461 62.408 62.100 -0.255 0.000 1.140 506 T CB -0.170 68.419 68.868 -0.465 0.000 0.877 506 T HN 0.077 nan 8.240 nan 0.000 0.457 507 L N 1.561 122.661 121.223 -0.205 0.000 2.131 507 L HA -0.018 4.316 4.340 -0.009 0.000 0.210 507 L C 2.245 179.033 176.870 -0.137 0.000 1.092 507 L CA 1.662 56.397 54.840 -0.176 0.000 0.759 507 L CB -0.737 41.207 42.059 -0.191 0.000 0.903 507 L HN 0.228 nan 8.230 nan 0.000 0.435 508 Q N -0.910 118.821 119.800 -0.115 0.000 2.437 508 Q HA -0.137 4.197 4.340 -0.009 0.000 0.210 508 Q C 1.133 177.090 176.000 -0.071 0.000 0.972 508 Q CA 0.833 56.584 55.803 -0.086 0.000 0.903 508 Q CB 0.087 28.785 28.738 -0.067 0.000 0.967 508 Q HN 0.364 nan 8.270 nan 0.000 0.486 509 R N -0.685 119.771 120.500 -0.073 0.000 2.543 509 R HA 0.271 4.606 4.340 -0.009 0.000 0.323 509 R C -0.325 175.931 176.300 -0.074 0.000 1.002 509 R CA -0.014 56.052 56.100 -0.057 0.000 1.106 509 R CB 0.692 30.972 30.300 -0.033 0.000 1.280 509 R HN 0.042 nan 8.270 nan 0.000 0.549 510 A N 2.500 125.261 122.820 -0.097 0.000 2.483 510 A HA 0.337 4.651 4.320 -0.009 0.000 0.238 510 A C -1.823 175.700 177.584 -0.102 0.000 1.070 510 A CA -0.738 51.231 52.037 -0.114 0.000 0.770 510 A CB -0.268 18.647 19.000 -0.142 0.000 1.008 510 A HN 0.053 nan 8.150 nan 0.000 0.497 511 P HA 0.555 nan 4.420 nan 0.000 0.279 511 P C -1.104 176.123 177.300 -0.121 0.000 1.252 511 P CA -0.426 62.597 63.100 -0.129 0.000 0.811 511 P CB 0.979 32.595 31.700 -0.141 0.000 1.035 512 L N 2.099 123.242 121.223 -0.133 0.000 2.332 512 L HA 0.542 4.877 4.340 -0.009 0.000 0.269 512 L C -2.193 174.565 176.870 -0.188 0.000 1.016 512 L CA -2.260 52.488 54.840 -0.153 0.000 0.809 512 L CB 0.549 42.551 42.059 -0.095 0.000 1.280 512 L HN 0.285 nan 8.230 nan 0.000 0.447 513 P HA -0.021 nan 4.420 nan 0.000 0.266 513 P C 0.529 177.762 177.300 -0.112 0.000 1.195 513 P CA -0.202 62.773 63.100 -0.208 0.000 0.768 513 P CB 0.459 31.985 31.700 -0.291 0.000 0.838 514 L N 4.038 125.196 121.223 -0.108 0.000 2.127 514 L HA -0.091 4.244 4.340 -0.009 0.000 0.211 514 L C 2.105 178.867 176.870 -0.179 0.000 1.089 514 L CA 2.480 57.220 54.840 -0.166 0.000 0.757 514 L CB -1.487 40.482 42.059 -0.150 0.000 0.899 514 L HN 0.528 nan 8.230 nan 0.000 0.434 515 G N -2.231 106.543 108.800 -0.043 0.000 2.422 515 G HA2 -0.283 3.672 3.960 -0.009 0.000 0.218 515 G HA3 -0.283 3.672 3.960 -0.009 0.000 0.218 515 G C 1.276 176.229 174.900 0.087 0.000 1.140 515 G CA 0.907 46.006 45.100 -0.002 0.000 0.775 515 G HN 0.529 nan 8.290 nan 0.000 0.545 516 H N 0.364 119.437 119.070 0.005 0.000 2.321 516 H HA 0.018 4.569 4.556 -0.009 0.000 0.300 516 H C 2.643 177.987 175.328 0.026 0.000 1.087 516 H CA 0.868 57.009 56.048 0.155 0.000 1.319 516 H CB -0.099 29.789 29.762 0.211 0.000 1.379 516 H HN 0.188 nan 8.280 nan 0.000 0.501 517 I N 1.012 121.591 120.570 0.014 0.000 2.179 517 I HA -0.235 3.930 4.170 -0.009 0.000 0.242 517 I C 2.006 177.994 176.117 -0.215 0.000 1.088 517 I CA 1.349 62.592 61.300 -0.095 0.000 1.357 517 I CB -0.863 37.016 38.000 -0.202 0.000 1.051 517 I HN 0.259 nan 8.210 nan 0.000 0.409 518 K N 0.172 120.270 120.400 -0.503 0.000 2.063 518 K HA -0.235 4.080 4.320 -0.009 0.000 0.208 518 K C 2.230 178.729 176.600 -0.169 0.000 1.048 518 K CA 1.431 57.366 56.287 -0.585 0.000 0.928 518 K CB -0.219 31.959 32.500 -0.538 0.000 0.713 518 K HN 0.043 nan 8.250 nan 0.000 0.442 519 R N 1.390 121.847 120.500 -0.073 0.000 2.083 519 R HA -0.050 4.285 4.340 -0.009 0.000 0.237 519 R C 2.109 178.378 176.300 -0.051 0.000 1.137 519 R CA 1.564 57.675 56.100 0.019 0.000 0.951 519 R CB -0.450 29.942 30.300 0.154 0.000 0.851 519 R HN 0.167 nan 8.270 nan 0.000 0.434 520 M N -0.033 119.452 119.600 -0.190 0.000 2.106 520 M HA -0.251 4.224 4.480 -0.009 0.000 0.259 520 M C 2.099 178.150 176.300 -0.415 0.000 1.068 520 M CA 2.187 57.150 55.300 -0.563 0.000 1.100 520 M CB -0.146 32.123 32.600 -0.552 0.000 1.351 520 M HN 0.234 nan 8.290 nan 0.000 0.404 521 Q N 0.590 120.363 119.800 -0.045 0.000 2.079 521 Q HA -0.215 4.119 4.340 -0.009 0.000 0.200 521 Q C 1.634 177.609 176.000 -0.040 0.000 0.974 521 Q CA 2.234 58.074 55.803 0.061 0.000 0.840 521 Q CB -0.379 28.701 28.738 0.571 0.000 0.898 521 Q HN 0.623 nan 8.270 nan 0.000 0.430 522 E N -0.736 119.450 120.200 -0.023 0.000 2.058 522 E HA -0.180 4.164 4.350 -0.009 0.000 0.194 522 E C 1.730 178.278 176.600 -0.086 0.000 0.997 522 E CA 2.140 58.526 56.400 -0.024 0.000 0.801 522 E CB 0.006 29.700 29.700 -0.010 0.000 0.746 522 E HN 0.385 nan 8.360 nan 0.000 0.450 523 V N -1.964 117.835 119.914 -0.191 0.000 2.825 523 V HA -0.005 4.110 4.120 -0.009 0.000 0.246 523 V C 1.503 177.508 176.094 -0.148 0.000 1.068 523 V CA 0.688 62.872 62.300 -0.194 0.000 1.088 523 V CB -0.492 31.186 31.823 -0.242 0.000 0.733 523 V HN 0.199 nan 8.190 nan 0.000 0.468 524 Y N 0.724 120.790 120.300 -0.391 0.000 2.458 524 Y HA 0.385 4.930 4.550 -0.009 0.000 0.254 524 Y C 1.386 176.886 175.900 -0.667 0.000 1.120 524 Y CA -0.769 56.932 58.100 -0.665 0.000 1.282 524 Y CB -1.229 36.443 38.460 -1.314 0.000 1.109 524 Y HN 0.498 nan 8.280 nan 0.000 0.526 525 N N 0.263 118.760 118.700 -0.339 0.000 2.716 525 N HA -0.261 4.473 4.740 -0.009 0.000 0.250 525 N C -0.001 175.387 175.510 -0.204 0.000 1.033 525 N CA -0.094 52.838 53.050 -0.196 0.000 0.727 525 N CB -0.909 37.527 38.487 -0.085 0.000 0.950 525 N HN 0.096 nan 8.380 nan 0.000 0.541 526 F N 0.221 119.919 119.950 -0.420 0.000 2.307 526 F HA -0.092 4.430 4.527 -0.009 0.000 0.301 526 F C 2.131 177.693 175.800 -0.397 0.000 1.076 526 F CA 1.076 58.662 58.000 -0.690 0.000 1.383 526 F CB -0.603 37.367 39.000 -1.717 0.000 1.055 526 F HN 0.357 nan 8.300 nan 0.000 0.526 527 N N -0.243 118.520 118.700 0.104 0.000 2.364 527 N HA -0.125 4.610 4.740 -0.009 0.000 0.183 527 N C 1.823 177.414 175.510 0.135 0.000 1.022 527 N CA 0.673 53.896 53.050 0.288 0.000 0.883 527 N CB -0.157 38.494 38.487 0.273 0.000 0.965 527 N HN 0.237 nan 8.380 nan 0.000 0.438 528 A N 0.530 123.392 122.820 0.069 0.000 2.208 528 A HA 0.130 4.445 4.320 -0.009 0.000 0.209 528 A C 0.808 178.413 177.584 0.035 0.000 1.161 528 A CA 0.092 52.154 52.037 0.042 0.000 0.782 528 A CB -0.004 19.007 19.000 0.019 0.000 0.816 528 A HN 0.130 nan 8.150 nan 0.000 0.477 529 I N 0.972 121.569 120.570 0.045 0.000 2.395 529 I HA 0.103 4.268 4.170 -0.009 0.000 0.289 529 I C 0.286 176.415 176.117 0.021 0.000 1.023 529 I CA -0.438 60.878 61.300 0.027 0.000 1.350 529 I CB 1.006 39.019 38.000 0.022 0.000 1.409 529 I HN 0.179 nan 8.210 nan 0.000 0.507 530 N N 3.732 122.436 118.700 0.005 0.000 2.254 530 N HA -0.030 4.705 4.740 -0.009 0.000 0.190 530 N C 0.463 175.964 175.510 -0.015 0.000 1.107 530 N CA 0.100 53.149 53.050 -0.002 0.000 0.869 530 N CB 0.086 38.573 38.487 0.000 0.000 0.983 530 N HN 0.571 nan 8.380 nan 0.000 0.487 531 N N 2.300 120.989 118.700 -0.018 0.000 2.417 531 N HA -0.065 4.670 4.740 -0.009 0.000 0.272 531 N C 1.200 176.682 175.510 -0.048 0.000 1.304 531 N CA 0.179 53.217 53.050 -0.021 0.000 0.906 531 N CB 0.755 39.223 38.487 -0.032 0.000 1.135 531 N HN 0.134 nan 8.380 nan 0.000 0.483 532 S N 3.708 119.369 115.700 -0.065 0.000 2.387 532 S HA -0.163 4.302 4.470 -0.009 0.000 0.230 532 S C 1.290 175.679 174.600 -0.352 0.000 1.035 532 S CA 0.827 58.885 58.200 -0.237 0.000 1.014 532 S CB -0.076 62.990 63.200 -0.224 0.000 0.836 532 S HN 0.617 nan 8.310 nan 0.000 0.466 533 E N 1.331 121.487 120.200 -0.073 0.000 2.072 533 E HA 0.013 4.357 4.350 -0.009 0.000 0.191 533 E C 2.169 178.819 176.600 0.082 0.000 0.985 533 E CA 1.076 57.531 56.400 0.091 0.000 0.801 533 E CB -0.389 29.424 29.700 0.188 0.000 0.750 533 E HN 0.625 nan 8.360 nan 0.000 0.452 534 I N 0.588 121.159 120.570 0.003 0.000 2.202 534 I HA -0.247 3.918 4.170 -0.009 0.000 0.242 534 I C 2.835 178.933 176.117 -0.033 0.000 1.091 534 I CA 0.971 62.242 61.300 -0.049 0.000 1.368 534 I CB -0.249 37.691 38.000 -0.100 0.000 1.058 534 I HN 0.005 nan 8.210 nan 0.000 0.410 535 R N 0.665 121.155 120.500 -0.017 0.000 2.091 535 R HA -0.246 4.088 4.340 -0.009 0.000 0.238 535 R C 2.454 178.784 176.300 0.050 0.000 1.136 535 R CA 1.867 57.999 56.100 0.053 0.000 0.959 535 R CB -0.453 29.851 30.300 0.007 0.000 0.856 535 R HN 0.250 nan 8.270 nan 0.000 0.437 536 F N 1.461 121.269 119.950 -0.237 0.000 2.065 536 F HA -0.239 4.282 4.527 -0.010 0.000 0.298 536 F C 2.068 177.808 175.800 -0.101 0.000 1.112 536 F CA 1.860 59.715 58.000 -0.240 0.000 1.212 536 F CB -0.223 38.544 39.000 -0.388 0.000 0.975 536 F HN -0.058 nan 8.300 nan 0.000 0.476 537 R N -0.538 119.848 120.500 -0.190 0.000 2.115 537 R HA -0.198 4.137 4.340 -0.009 0.000 0.226 537 R C 2.395 178.580 176.300 -0.191 0.000 1.100 537 R CA 1.473 57.378 56.100 -0.326 0.000 0.980 537 R CB -1.063 29.156 30.300 -0.135 0.000 0.875 537 R HN 0.662 nan 8.270 nan 0.000 0.445 538 W N 1.625 122.750 121.300 -0.290 0.000 2.379 538 W HA -0.161 4.494 4.660 -0.009 0.000 0.307 538 W C 1.273 177.694 176.519 -0.163 0.000 1.200 538 W CA 1.004 58.212 57.345 -0.228 0.000 1.297 538 W CB -0.108 29.237 29.460 -0.192 0.000 1.140 538 W HN 0.043 nan 8.180 nan 0.000 0.507 539 L N 0.758 121.799 121.223 -0.304 0.000 2.093 539 L HA -0.182 4.153 4.340 -0.009 0.000 0.208 539 L C 2.847 179.472 176.870 -0.409 0.000 1.085 539 L CA 1.235 55.807 54.840 -0.447 0.000 0.755 539 L CB -0.862 41.039 42.059 -0.263 0.000 0.904 539 L HN -0.060 nan 8.230 nan 0.000 0.435 540 R N -0.133 120.118 120.500 -0.416 0.000 2.081 540 R HA -0.186 4.148 4.340 -0.009 0.000 0.235 540 R C 2.249 178.348 176.300 -0.336 0.000 1.131 540 R CA 1.320 57.183 56.100 -0.395 0.000 0.960 540 R CB -0.590 29.392 30.300 -0.530 0.000 0.856 540 R HN 0.200 nan 8.270 nan 0.000 0.436 541 L N 0.747 121.774 121.223 -0.327 0.000 2.046 541 L HA -0.182 4.153 4.340 -0.009 0.000 0.208 541 L C 2.155 178.835 176.870 -0.316 0.000 1.077 541 L CA 1.669 56.347 54.840 -0.270 0.000 0.747 541 L CB -0.529 41.425 42.059 -0.176 0.000 0.896 541 L HN 0.168 nan 8.230 nan 0.000 0.432 542 C N -0.440 118.586 119.300 -0.457 0.000 2.432 542 C HA -0.138 4.317 4.460 -0.009 0.000 0.277 542 C C 2.703 177.525 174.990 -0.280 0.000 1.249 542 C CA 0.620 59.403 59.018 -0.393 0.000 1.725 542 C CB -0.902 26.491 27.740 -0.579 0.000 2.028 542 C HN 0.568 nan 8.230 nan 0.000 0.477 543 I N 0.687 121.072 120.570 -0.309 0.000 2.202 543 I HA -0.183 3.981 4.170 -0.009 0.000 0.242 543 I C 2.576 178.429 176.117 -0.441 0.000 1.091 543 I CA 1.635 62.745 61.300 -0.317 0.000 1.368 543 I CB -1.662 36.228 38.000 -0.183 0.000 1.058 543 I HN 0.507 nan 8.210 nan 0.000 0.410 544 Q N 0.099 119.709 119.800 -0.316 0.000 2.234 544 Q HA -0.127 4.208 4.340 -0.009 0.000 0.206 544 Q C 1.902 177.719 176.000 -0.305 0.000 0.980 544 Q CA 1.405 57.041 55.803 -0.278 0.000 0.869 544 Q CB -0.079 28.534 28.738 -0.209 0.000 0.912 544 Q HN 0.366 nan 8.270 nan 0.000 0.436 545 S N 0.095 115.614 115.700 -0.302 0.000 2.605 545 S HA 0.071 4.536 4.470 -0.009 0.000 0.217 545 S C -0.199 174.218 174.600 -0.306 0.000 0.958 545 S CA -0.031 58.015 58.200 -0.256 0.000 0.919 545 S CB 0.211 63.292 63.200 -0.199 0.000 0.780 545 S HN 0.283 nan 8.310 nan 0.000 0.507 546 K N -0.015 120.051 120.400 -0.558 0.000 3.167 546 K HA -0.176 4.139 4.320 -0.009 0.000 0.272 546 K C -0.848 175.633 176.600 -0.199 0.000 1.137 546 K CA 0.458 56.245 56.287 -0.834 0.000 0.800 546 K CB -1.735 30.474 32.500 -0.484 0.000 1.253 546 K HN 0.473 nan 8.250 nan 0.000 0.497 547 W N 2.755 123.878 121.300 -0.295 0.000 2.342 547 W HA 0.196 4.850 4.660 -0.009 0.000 0.310 547 W C 0.947 177.487 176.519 0.035 0.000 1.128 547 W CA -0.844 56.442 57.345 -0.098 0.000 1.322 547 W CB 0.216 29.584 29.460 -0.152 0.000 1.251 547 W HN 0.124 nan 8.180 nan 0.000 0.439 548 E N 2.059 122.492 120.200 0.388 0.000 2.204 548 E HA -0.233 4.112 4.350 -0.009 0.000 0.195 548 E C 1.030 177.579 176.600 -0.084 0.000 0.990 548 E CA 1.538 58.066 56.400 0.213 0.000 0.821 548 E CB 0.313 30.123 29.700 0.183 0.000 0.750 548 E HN 0.418 nan 8.360 nan 0.000 0.477 549 D N 0.307 120.465 120.400 -0.403 0.000 2.264 549 D HA -0.107 4.527 4.640 -0.009 0.000 0.208 549 D C 1.615 177.567 176.300 -0.580 0.000 0.966 549 D CA 0.974 54.625 54.000 -0.581 0.000 0.864 549 D CB -0.100 40.129 40.800 -0.952 0.000 0.933 549 D HN 0.186 nan 8.370 nan 0.000 0.499 550 A N 0.109 122.574 122.820 -0.591 0.000 2.067 550 A HA 0.004 4.319 4.320 -0.009 0.000 0.217 550 A C 2.139 179.584 177.584 -0.231 0.000 1.156 550 A CA 0.160 51.944 52.037 -0.423 0.000 0.683 550 A CB -0.453 18.306 19.000 -0.402 0.000 0.808 550 A HN 0.152 nan 8.150 nan 0.000 0.455 551 I N 0.897 121.386 120.570 -0.134 0.000 2.087 551 I HA -0.238 3.927 4.170 -0.009 0.000 0.240 551 I C -0.206 175.845 176.117 -0.110 0.000 1.054 551 I CA 2.080 63.335 61.300 -0.074 0.000 1.311 551 I CB -1.196 36.784 38.000 -0.032 0.000 1.024 551 I HN 0.259 nan 8.210 nan 0.000 0.402 552 P HA -0.170 nan 4.420 nan 0.000 0.216 552 P C 1.918 179.151 177.300 -0.112 0.000 1.150 552 P CA 1.730 64.769 63.100 -0.102 0.000 0.837 552 P CB -0.108 31.538 31.700 -0.090 0.000 0.786 553 L N -0.666 120.476 121.223 -0.135 0.000 2.056 553 L HA -0.097 4.238 4.340 -0.009 0.000 0.207 553 L C 2.840 179.635 176.870 -0.127 0.000 1.078 553 L CA 1.585 56.353 54.840 -0.120 0.000 0.749 553 L CB -1.342 40.638 42.059 -0.133 0.000 0.901 553 L HN -0.056 nan 8.230 nan 0.000 0.433 554 A N 0.298 123.025 122.820 -0.154 0.000 1.873 554 A HA -0.136 4.179 4.320 -0.009 0.000 0.215 554 A C 2.280 179.743 177.584 -0.202 0.000 1.186 554 A CA 1.292 53.230 52.037 -0.164 0.000 0.616 554 A CB -0.680 18.221 19.000 -0.165 0.000 0.823 554 A HN 0.324 nan 8.150 nan 0.000 0.442 555 L N -0.655 120.446 121.223 -0.203 0.000 2.046 555 L HA -0.206 4.129 4.340 -0.009 0.000 0.208 555 L C 2.648 179.384 176.870 -0.222 0.000 1.077 555 L CA 1.937 56.620 54.840 -0.260 0.000 0.747 555 L CB -0.357 41.600 42.059 -0.170 0.000 0.896 555 L HN 0.492 nan 8.230 nan 0.000 0.432 556 K N 0.353 120.667 120.400 -0.143 0.000 2.002 556 K HA -0.256 4.059 4.320 -0.009 0.000 0.209 556 K C 2.247 178.790 176.600 -0.096 0.000 1.048 556 K CA 1.828 58.055 56.287 -0.100 0.000 0.930 556 K CB -0.146 32.314 32.500 -0.067 0.000 0.714 556 K HN 0.126 nan 8.250 nan 0.000 0.438 557 M N 0.185 119.727 119.600 -0.096 0.000 2.213 557 M HA -0.122 4.352 4.480 -0.009 0.000 0.263 557 M C 1.872 178.131 176.300 -0.069 0.000 1.062 557 M CA 1.746 57.005 55.300 -0.068 0.000 1.105 557 M CB -0.052 32.510 32.600 -0.064 0.000 1.385 557 M HN 0.271 nan 8.290 nan 0.000 0.417 558 A N -0.448 122.277 122.820 -0.159 0.000 2.015 558 A HA -0.129 4.186 4.320 -0.009 0.000 0.219 558 A C 2.075 179.593 177.584 -0.109 0.000 1.163 558 A CA 1.985 53.895 52.037 -0.213 0.000 0.646 558 A CB -0.929 17.686 19.000 -0.643 0.000 0.806 558 A HN 0.702 nan 8.150 nan 0.000 0.448 559 T N -3.979 110.491 114.554 -0.140 0.000 2.969 559 T HA 0.166 4.511 4.350 -0.009 0.000 0.250 559 T C 1.274 175.962 174.700 -0.020 0.000 1.021 559 T CA 0.616 62.650 62.100 -0.111 0.000 1.003 559 T CB -0.051 68.582 68.868 -0.390 0.000 1.040 559 T HN 0.501 nan 8.240 nan 0.000 0.492 560 E N 1.260 121.455 120.200 -0.009 0.000 2.427 560 E HA 0.054 4.399 4.350 -0.009 0.000 0.196 560 E C 0.416 177.049 176.600 0.056 0.000 1.028 560 E CA 0.368 56.788 56.400 0.033 0.000 0.864 560 E CB 0.079 29.790 29.700 0.019 0.000 0.813 560 E HN 0.741 nan 8.360 nan 0.000 0.514 561 Q N -1.878 117.961 119.800 0.065 0.000 2.456 561 Q HA 0.512 4.847 4.340 -0.009 0.000 0.284 561 Q C 0.024 176.086 176.000 0.103 0.000 1.061 561 Q CA -0.829 55.029 55.803 0.092 0.000 0.799 561 Q CB 1.222 30.024 28.738 0.106 0.000 1.445 561 Q HN -0.050 nan 8.270 nan 0.000 0.411 562 G N -0.149 108.711 108.800 0.099 0.000 3.969 562 G HA2 0.521 4.475 3.960 -0.009 0.000 0.291 562 G HA3 0.521 4.475 3.960 -0.009 0.000 0.291 562 G C -0.210 174.674 174.900 -0.025 0.000 1.016 562 G CA -0.138 45.004 45.100 0.070 0.000 0.819 562 G HN 0.875 nan 8.290 nan 0.000 0.493 563 A N 0.821 123.629 122.820 -0.020 0.000 2.515 563 A HA 0.394 4.709 4.320 -0.009 0.000 0.263 563 A C 1.609 179.041 177.584 -0.255 0.000 1.096 563 A CA -0.007 51.917 52.037 -0.190 0.000 0.769 563 A CB -0.007 18.865 19.000 -0.213 0.000 1.040 563 A HN 0.380 nan 8.150 nan 0.000 0.505 564 M N 2.380 121.774 119.600 -0.343 0.000 2.144 564 M HA -0.244 4.231 4.480 -0.009 0.000 0.260 564 M C 2.287 178.438 176.300 -0.248 0.000 1.067 564 M CA 2.340 57.481 55.300 -0.266 0.000 1.095 564 M CB -0.400 31.991 32.600 -0.348 0.000 1.365 564 M HN 0.951 nan 8.290 nan 0.000 0.406 565 K N -0.158 119.997 120.400 -0.409 0.000 2.280 565 K HA -0.143 4.172 4.320 -0.009 0.000 0.202 565 K C 1.136 177.365 176.600 -0.618 0.000 1.047 565 K CA 1.450 57.439 56.287 -0.496 0.000 0.942 565 K CB -0.208 31.884 32.500 -0.680 0.000 0.739 565 K HN 0.213 nan 8.250 nan 0.000 0.457 566 F N 1.478 121.177 119.950 -0.419 0.000 2.419 566 F HA 0.155 4.677 4.527 -0.009 0.000 0.283 566 F C 2.462 178.239 175.800 -0.038 0.000 1.044 566 F CA 0.340 58.039 58.000 -0.501 0.000 1.376 566 F CB -0.850 37.917 39.000 -0.387 0.000 1.131 566 F HN -0.114 nan 8.300 nan 0.000 0.585 567 T N 0.878 115.532 114.554 0.167 0.000 2.684 567 T HA -0.171 4.174 4.350 -0.009 0.000 0.267 567 T C 2.132 176.982 174.700 0.250 0.000 1.036 567 T CA 1.615 63.831 62.100 0.193 0.000 1.148 567 T CB -0.225 68.754 68.868 0.185 0.000 0.863 567 T HN 0.125 nan 8.240 nan 0.000 0.436 568 R N 0.677 121.269 120.500 0.153 0.000 2.066 568 R HA -0.049 4.286 4.340 -0.009 0.000 0.232 568 R C -0.472 175.928 176.300 0.166 0.000 1.131 568 R CA 1.430 57.613 56.100 0.139 0.000 0.955 568 R CB -1.302 29.023 30.300 0.043 0.000 0.851 568 R HN 0.362 nan 8.270 nan 0.000 0.432 569 P HA -0.091 nan 4.420 nan 0.000 0.221 569 P C 1.062 178.459 177.300 0.163 0.000 1.150 569 P CA 1.059 64.277 63.100 0.197 0.000 0.800 569 P CB 0.056 31.963 31.700 0.346 0.000 0.787 570 L N -2.591 118.755 121.223 0.205 0.000 2.005 570 L HA -0.127 4.208 4.340 -0.009 0.000 0.207 570 L C 2.273 179.149 176.870 0.010 0.000 1.072 570 L CA 1.386 56.260 54.840 0.056 0.000 0.744 570 L CB -0.926 41.140 42.059 0.012 0.000 0.895 570 L HN -0.095 nan 8.230 nan 0.000 0.433 571 F N 0.612 120.579 119.950 0.028 0.000 2.161 571 F HA -0.245 4.277 4.527 -0.008 0.000 0.300 571 F C 2.655 178.447 175.800 -0.013 0.000 1.089 571 F CA 1.612 59.608 58.000 -0.007 0.000 1.282 571 F CB -0.334 38.644 39.000 -0.036 0.000 1.010 571 F HN -0.037 nan 8.300 nan 0.000 0.485 572 K N 0.140 120.650 120.400 0.183 0.000 2.057 572 K HA -0.182 4.132 4.320 -0.009 0.000 0.207 572 K C 1.727 178.375 176.600 0.081 0.000 1.049 572 K CA 1.854 58.202 56.287 0.101 0.000 0.931 572 K CB -0.159 32.379 32.500 0.063 0.000 0.714 572 K HN 0.068 nan 8.250 nan 0.000 0.440 573 D N 0.749 121.180 120.400 0.052 0.000 2.097 573 D HA -0.148 4.486 4.640 -0.009 0.000 0.195 573 D C 1.906 178.254 176.300 0.079 0.000 0.989 573 D CA 0.997 55.010 54.000 0.022 0.000 0.827 573 D CB -0.166 40.605 40.800 -0.050 0.000 0.966 573 D HN 0.180 nan 8.370 nan 0.000 0.456 574 L N 0.418 121.684 121.223 0.071 0.000 2.127 574 L HA -0.169 4.166 4.340 -0.009 0.000 0.211 574 L C 2.306 179.260 176.870 0.140 0.000 1.089 574 L CA 1.174 56.074 54.840 0.100 0.000 0.757 574 L CB -0.299 41.766 42.059 0.010 0.000 0.899 574 L HN 0.003 nan 8.230 nan 0.000 0.434 575 A N -0.654 122.251 122.820 0.142 0.000 2.067 575 A HA 0.102 4.417 4.320 -0.009 0.000 0.217 575 A C 2.330 180.082 177.584 0.280 0.000 1.156 575 A CA 1.127 53.272 52.037 0.180 0.000 0.683 575 A CB -0.349 18.729 19.000 0.131 0.000 0.808 575 A HN 0.360 nan 8.150 nan 0.000 0.455 576 A N -1.518 121.417 122.820 0.192 0.000 2.178 576 A HA 0.339 4.654 4.320 -0.009 0.000 0.211 576 A C 0.498 178.211 177.584 0.215 0.000 1.157 576 A CA 0.005 52.136 52.037 0.157 0.000 0.780 576 A CB -0.249 18.804 19.000 0.088 0.000 0.828 576 A HN 0.442 nan 8.150 nan 0.000 0.476 577 F N 2.458 122.436 119.950 0.046 0.000 2.390 577 F HA 0.338 4.859 4.527 -0.010 0.000 0.361 577 F C 0.866 176.701 175.800 0.058 0.000 1.124 577 F CA -1.984 56.032 58.000 0.028 0.000 1.149 577 F CB 0.637 39.640 39.000 0.006 0.000 1.160 577 F HN 0.314 nan 8.300 nan 0.000 0.501 578 D N 3.752 124.221 120.400 0.115 0.000 2.158 578 D HA -0.249 4.386 4.640 -0.009 0.000 0.197 578 D C 1.264 177.408 176.300 -0.261 0.000 0.995 578 D CA 1.496 55.458 54.000 -0.063 0.000 0.846 578 D CB -0.188 40.598 40.800 -0.023 0.000 0.941 578 D HN 0.418 nan 8.370 nan 0.000 0.456 579 K N -0.094 119.877 120.400 -0.715 0.000 2.283 579 K HA 0.024 4.339 4.320 -0.009 0.000 0.202 579 K C 1.864 178.168 176.600 -0.493 0.000 1.048 579 K CA 1.190 57.075 56.287 -0.670 0.000 0.948 579 K CB -0.016 31.934 32.500 -0.917 0.000 0.742 579 K HN 0.460 nan 8.250 nan 0.000 0.458 580 S N -0.990 114.420 115.700 -0.483 0.000 2.540 580 S HA 0.016 4.480 4.470 -0.009 0.000 0.222 580 S C 1.616 176.180 174.600 -0.059 0.000 1.008 580 S CA -0.406 57.678 58.200 -0.192 0.000 0.939 580 S CB -0.202 62.941 63.200 -0.095 0.000 0.865 580 S HN 0.267 nan 8.310 nan 0.000 0.499 581 H N 2.949 121.963 119.070 -0.093 0.000 2.265 581 H HA -0.170 4.380 4.556 -0.009 0.000 0.293 581 H C 0.984 176.319 175.328 0.011 0.000 1.089 581 H CA 2.570 58.610 56.048 -0.014 0.000 1.244 581 H CB -0.439 29.313 29.762 -0.018 0.000 1.355 581 H HN 0.374 nan 8.280 nan 0.000 0.485 582 D N 0.262 120.665 120.400 0.005 0.000 2.149 582 D HA -0.169 4.465 4.640 -0.009 0.000 0.198 582 D C 2.319 178.590 176.300 -0.048 0.000 0.990 582 D CA 1.018 55.004 54.000 -0.022 0.000 0.839 582 D CB -0.473 40.359 40.800 0.053 0.000 0.948 582 D HN 0.546 nan 8.370 nan 0.000 0.460 583 Q N 0.340 120.121 119.800 -0.032 0.000 2.167 583 Q HA -0.086 4.248 4.340 -0.009 0.000 0.202 583 Q C 2.025 178.047 176.000 0.037 0.000 0.970 583 Q CA 1.329 57.131 55.803 -0.002 0.000 0.855 583 Q CB 0.023 28.751 28.738 -0.017 0.000 0.911 583 Q HN 0.210 nan 8.270 nan 0.000 0.438 584 A N -0.184 122.646 122.820 0.016 0.000 1.858 584 A HA -0.157 4.157 4.320 -0.009 0.000 0.216 584 A C 2.199 179.900 177.584 0.195 0.000 1.190 584 A CA 1.646 53.775 52.037 0.152 0.000 0.617 584 A CB -0.951 18.114 19.000 0.109 0.000 0.827 584 A HN 0.290 nan 8.150 nan 0.000 0.443 585 V N 0.069 119.973 119.914 -0.015 0.000 2.287 585 V HA -0.288 3.827 4.120 -0.009 0.000 0.248 585 V C 2.675 178.833 176.094 0.107 0.000 1.053 585 V CA 2.409 64.716 62.300 0.012 0.000 1.027 585 V CB -0.840 30.920 31.823 -0.104 0.000 0.646 585 V HN 0.612 nan 8.190 nan 0.000 0.447 586 R N -0.309 120.234 120.500 0.072 0.000 2.096 586 R HA -0.159 4.176 4.340 -0.009 0.000 0.235 586 R C 2.339 178.715 176.300 0.125 0.000 1.127 586 R CA 2.004 58.150 56.100 0.075 0.000 0.968 586 R CB -0.371 29.959 30.300 0.050 0.000 0.861 586 R HN 0.594 nan 8.270 nan 0.000 0.440 587 T N -0.142 114.533 114.554 0.203 0.000 2.821 587 T HA -0.172 4.173 4.350 -0.009 0.000 0.267 587 T C 1.307 176.228 174.700 0.369 0.000 1.046 587 T CA 1.295 63.578 62.100 0.304 0.000 1.139 587 T CB -0.406 68.644 68.868 0.304 0.000 0.871 587 T HN 0.375 nan 8.240 nan 0.000 0.454 588 Y N 2.214 122.611 120.300 0.161 0.000 2.163 588 Y HA -0.130 4.415 4.550 -0.008 0.000 0.288 588 Y C 2.538 178.433 175.900 -0.008 0.000 1.136 588 Y CA 1.206 59.251 58.100 -0.091 0.000 1.147 588 Y CB -0.471 37.731 38.460 -0.430 0.000 0.987 588 Y HN 0.015 nan 8.280 nan 0.000 0.509 589 Q N 0.708 120.366 119.800 -0.236 0.000 2.135 589 Q HA -0.212 4.123 4.340 -0.009 0.000 0.204 589 Q C 1.995 177.863 176.000 -0.220 0.000 0.981 589 Q CA 2.126 57.747 55.803 -0.302 0.000 0.856 589 Q CB -0.346 28.339 28.738 -0.089 0.000 0.902 589 Q HN 0.723 nan 8.270 nan 0.000 0.425 590 E N -0.838 119.311 120.200 -0.086 0.000 2.208 590 E HA -0.132 4.213 4.350 -0.009 0.000 0.193 590 E C 1.510 177.999 176.600 -0.185 0.000 0.988 590 E CA 0.639 56.980 56.400 -0.098 0.000 0.828 590 E CB -0.016 29.658 29.700 -0.042 0.000 0.763 590 E HN 0.493 nan 8.360 nan 0.000 0.478 591 H N 0.142 119.147 119.070 -0.110 0.000 2.520 591 H HA 0.110 4.660 4.556 -0.009 0.000 0.279 591 H C 1.739 176.990 175.328 -0.127 0.000 0.990 591 H CA 0.610 56.620 56.048 -0.063 0.000 1.288 591 H CB 0.281 30.070 29.762 0.045 0.000 1.446 591 H HN -0.069 nan 8.280 nan 0.000 0.538 592 K N 1.059 121.329 120.400 -0.216 0.000 2.044 592 K HA -0.333 3.982 4.320 -0.009 0.000 0.224 592 K C 2.236 178.767 176.600 -0.115 0.000 1.056 592 K CA 2.063 58.175 56.287 -0.291 0.000 0.962 592 K CB -0.360 31.827 32.500 -0.520 0.000 0.730 592 K HN 0.301 nan 8.250 nan 0.000 0.453 593 A N 0.034 122.787 122.820 -0.113 0.000 1.997 593 A HA -0.179 4.136 4.320 -0.009 0.000 0.221 593 A C 1.808 179.376 177.584 -0.027 0.000 1.172 593 A CA 2.365 54.362 52.037 -0.067 0.000 0.645 593 A CB -0.502 18.454 19.000 -0.073 0.000 0.813 593 A HN 0.550 nan 8.150 nan 0.000 0.454 594 S N -1.814 113.881 115.700 -0.009 0.000 2.574 594 S HA 0.579 5.044 4.470 -0.009 0.000 0.242 594 S C 0.276 174.924 174.600 0.081 0.000 0.982 594 S CA -0.483 57.738 58.200 0.035 0.000 0.977 594 S CB -0.209 63.010 63.200 0.031 0.000 0.814 594 S HN 0.430 nan 8.310 nan 0.000 0.464 595 M N 1.560 121.204 119.600 0.073 0.000 2.471 595 M HA 0.350 4.825 4.480 -0.009 0.000 0.309 595 M C 0.215 176.574 176.300 0.098 0.000 1.186 595 M CA -0.656 54.714 55.300 0.116 0.000 1.008 595 M CB 0.750 33.422 32.600 0.120 0.000 1.551 595 M HN 0.371 nan 8.290 nan 0.000 0.477 596 H N 3.156 122.252 119.070 0.044 0.000 2.848 596 H HA 0.070 4.620 4.556 -0.009 0.000 0.341 596 H C -1.738 173.577 175.328 -0.022 0.000 1.060 596 H CA -0.622 55.427 56.048 0.001 0.000 1.444 596 H CB 0.789 30.566 29.762 0.026 0.000 1.446 596 H HN 0.259 nan 8.280 nan 0.000 0.583 597 P HA -0.255 nan 4.420 nan 0.000 0.216 597 P C 1.333 178.607 177.300 -0.044 0.000 1.157 597 P CA 1.461 64.442 63.100 -0.199 0.000 0.880 597 P CB 0.205 31.720 31.700 -0.309 0.000 0.791 598 V N 0.149 120.110 119.914 0.078 0.000 2.453 598 V HA -0.150 3.965 4.120 -0.009 0.000 0.247 598 V C 2.710 178.850 176.094 0.077 0.000 1.048 598 V CA 2.453 64.812 62.300 0.099 0.000 1.049 598 V CB -1.854 30.034 31.823 0.109 0.000 0.672 598 V HN 0.188 nan 8.190 nan 0.000 0.457 599 T N 0.496 115.126 114.554 0.127 0.000 2.821 599 T HA -0.106 4.238 4.350 -0.009 0.000 0.267 599 T C 2.088 176.825 174.700 0.062 0.000 1.046 599 T CA 1.481 63.599 62.100 0.030 0.000 1.139 599 T CB -0.358 68.528 68.868 0.029 0.000 0.871 599 T HN 0.551 nan 8.240 nan 0.000 0.454 600 A N 2.117 125.001 122.820 0.107 0.000 1.877 600 A HA -0.048 4.266 4.320 -0.009 0.000 0.216 600 A C 2.306 179.973 177.584 0.138 0.000 1.186 600 A CA 1.536 53.675 52.037 0.171 0.000 0.620 600 A CB -0.679 18.388 19.000 0.111 0.000 0.822 600 A HN 0.373 nan 8.150 nan 0.000 0.443 601 M N -0.152 119.490 119.600 0.070 0.000 2.117 601 M HA -0.081 4.394 4.480 -0.009 0.000 0.262 601 M C 1.962 178.262 176.300 0.001 0.000 1.065 601 M CA 1.742 57.068 55.300 0.044 0.000 1.114 601 M CB -0.850 31.770 32.600 0.034 0.000 1.361 601 M HN 0.428 nan 8.290 nan 0.000 0.408 602 L N -0.641 120.573 121.223 -0.015 0.000 2.109 602 L HA -0.161 4.174 4.340 -0.009 0.000 0.207 602 L C 2.376 179.182 176.870 -0.107 0.000 1.086 602 L CA 0.630 55.446 54.840 -0.040 0.000 0.760 602 L CB -0.657 41.384 42.059 -0.030 0.000 0.910 602 L HN 0.097 nan 8.230 nan 0.000 0.437 603 V N 0.067 119.876 119.914 -0.175 0.000 2.427 603 V HA -0.151 3.964 4.120 -0.009 0.000 0.248 603 V C 2.642 178.372 176.094 -0.607 0.000 1.051 603 V CA 1.776 63.847 62.300 -0.381 0.000 1.048 603 V CB -1.233 30.283 31.823 -0.511 0.000 0.666 603 V HN 0.549 nan 8.190 nan 0.000 0.456 604 G N 0.191 108.678 108.800 -0.522 0.000 2.446 604 G HA2 -0.277 3.678 3.960 -0.009 0.000 0.217 604 G HA3 -0.277 3.678 3.960 -0.009 0.000 0.217 604 G C 1.668 176.441 174.900 -0.211 0.000 1.168 604 G CA 1.009 45.874 45.100 -0.391 0.000 0.771 604 G HN 0.488 nan 8.290 nan 0.000 0.551 605 K N 0.165 120.492 120.400 -0.122 0.000 2.155 605 K HA -0.023 4.291 4.320 -0.009 0.000 0.203 605 K C 2.104 178.664 176.600 -0.066 0.000 1.052 605 K CA 1.123 57.375 56.287 -0.058 0.000 0.948 605 K CB -0.034 32.458 32.500 -0.012 0.000 0.728 605 K HN 0.147 nan 8.250 nan 0.000 0.448 606 D N 0.766 121.104 120.400 -0.103 0.000 2.117 606 D HA -0.116 4.519 4.640 -0.009 0.000 0.198 606 D C 1.525 177.777 176.300 -0.079 0.000 0.982 606 D CA 1.002 54.960 54.000 -0.071 0.000 0.828 606 D CB 0.021 40.778 40.800 -0.072 0.000 0.967 606 D HN 0.011 nan 8.370 nan 0.000 0.464 607 L N 0.375 121.498 121.223 -0.167 0.000 2.554 607 L HA 0.093 4.427 4.340 -0.009 0.000 0.226 607 L C 0.625 177.460 176.870 -0.059 0.000 1.137 607 L CA 0.470 55.229 54.840 -0.135 0.000 0.863 607 L CB -0.444 41.439 42.059 -0.294 0.000 0.985 607 L HN -0.020 nan 8.230 nan 0.000 0.451 608 K N -0.281 120.084 120.400 -0.058 0.000 3.096 608 K HA -0.145 4.169 4.320 -0.009 0.000 0.266 608 K C -0.190 176.412 176.600 0.003 0.000 1.043 608 K CA 0.663 56.943 56.287 -0.013 0.000 0.758 608 K CB -1.985 30.524 32.500 0.016 0.000 1.260 608 K HN 0.287 nan 8.250 nan 0.000 0.481 609 V N -2.617 117.289 119.914 -0.013 0.000 2.850 609 V HA 0.705 4.820 4.120 -0.009 0.000 0.315 609 V C 0.433 176.564 176.094 0.062 0.000 1.064 609 V CA -0.525 61.800 62.300 0.042 0.000 0.979 609 V CB 1.911 33.790 31.823 0.094 0.000 1.039 609 V HN 0.441 nan 8.190 nan 0.000 0.452 610 D N 0.000 120.440 120.400 0.067 0.000 6.856 610 D HA 0.000 4.635 4.640 -0.009 0.000 0.175 610 D CA 0.000 54.033 54.000 0.055 0.000 0.868 610 D CB 0.000 40.842 40.800 0.070 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683