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 3b7t_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 NVIAHQISHS DATA SEQUENCE WTGNLVTNKT WDHFWLNEGH TVYLERHICG RLFGEKFRHF NALGGWGELQ DATA SEQUENCE NSVKTFGETH PFTKLVVDLT DIDPDVAYSS VPYEKGFALL FYLEQLLGGP DATA SEQUENCE EIFLGFLKAY VEKFSYKSIT TDDWKDFLYS YFKDKVDVLN QVDWNAWLYS DATA SEQUENCE PGLPPIKPNY DMTLTNACIA LSQRWITAKE DDLNSFNATD LKDLSSHQLN DATA SEQUENCE EFLAQTLQRA PLPLGHIKRM QEVYNFNAIN NSEIRFRWLR LCIQSKWEDA DATA SEQUENCE IPLALKMATE QGRMKFTRPL FKDLAAFDKS HDQAVRTYQE HKASMHPVTA DATA SEQUENCE MLVGKDLKVD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.313 177.300 0.022 0.000 1.155 1 P CA 0.000 63.113 63.100 0.021 0.000 0.800 1 P CB 0.000 31.712 31.700 0.020 0.000 0.726 2 E N 1.911 122.125 120.200 0.024 0.000 2.200 2 E HA 0.566 4.914 4.350 -0.004 0.000 0.283 2 E C -0.954 175.667 176.600 0.035 0.000 1.015 2 E CA -0.488 55.928 56.400 0.025 0.000 0.819 2 E CB 0.750 30.463 29.700 0.022 0.000 1.081 2 E HN 0.516 nan 8.360 nan 0.000 0.397 3 I N 6.052 126.644 120.570 0.037 0.000 2.497 3 I HA 0.326 4.493 4.170 -0.004 0.000 0.284 3 I C -1.077 175.067 176.117 0.045 0.000 1.060 3 I CA -0.980 60.352 61.300 0.054 0.000 1.071 3 I CB 1.026 39.068 38.000 0.069 0.000 1.216 3 I HN 0.435 nan 8.210 nan 0.000 0.442 4 V N 3.094 123.036 119.914 0.047 0.000 2.837 4 V HA 0.533 4.650 4.120 -0.004 0.000 0.310 4 V C -0.101 176.022 176.094 0.049 0.000 1.059 4 V CA -0.655 61.669 62.300 0.040 0.000 1.004 4 V CB 1.626 33.470 31.823 0.035 0.000 1.045 4 V HN 0.658 nan 8.190 nan 0.000 0.465 5 D N 2.123 122.548 120.400 0.042 0.000 2.411 5 D HA 0.178 4.816 4.640 -0.004 0.000 0.225 5 D C 1.463 177.806 176.300 0.071 0.000 1.156 5 D CA 0.374 54.407 54.000 0.054 0.000 0.874 5 D CB 1.535 42.359 40.800 0.039 0.000 1.034 5 D HN 0.912 nan 8.370 nan 0.000 0.502 6 T N -0.174 114.431 114.554 0.085 0.000 2.977 6 T HA -0.132 4.215 4.350 -0.004 0.000 0.271 6 T C 1.835 176.600 174.700 0.108 0.000 1.105 6 T CA 0.494 62.646 62.100 0.086 0.000 1.116 6 T CB -0.356 68.566 68.868 0.089 0.000 0.878 6 T HN 0.439 nan 8.240 nan 0.000 0.509 7 C N 1.377 120.767 119.300 0.149 0.000 2.618 7 C HA 0.460 4.917 4.460 -0.004 0.000 0.264 7 C C 1.489 176.550 174.990 0.119 0.000 1.334 7 C CA -0.590 58.536 59.018 0.180 0.000 1.731 7 C CB -1.149 26.757 27.740 0.278 0.000 1.852 7 C HN 0.621 nan 8.230 nan 0.000 0.566 8 S N -0.247 115.506 115.700 0.088 0.000 2.593 8 S HA 0.651 5.119 4.470 -0.004 0.000 0.297 8 S C 0.234 174.846 174.600 0.020 0.000 1.112 8 S CA -0.530 57.702 58.200 0.053 0.000 1.043 8 S CB 0.698 63.932 63.200 0.058 0.000 1.054 8 S HN 0.413 nan 8.310 nan 0.000 0.516 9 L N 2.453 123.677 121.223 0.002 0.000 2.766 9 L HA 0.425 4.762 4.340 -0.004 0.000 0.242 9 L C 1.053 177.922 176.870 -0.003 0.000 1.136 9 L CA -0.276 54.559 54.840 -0.009 0.000 0.933 9 L CB -0.261 41.782 42.059 -0.026 0.000 1.241 9 L HN 0.647 nan 8.230 nan 0.000 0.522 10 A N 0.045 122.867 122.820 0.003 0.000 2.272 10 A HA 0.492 4.809 4.320 -0.004 0.000 0.275 10 A C 0.480 178.068 177.584 0.006 0.000 1.096 10 A CA -0.168 51.870 52.037 0.002 0.000 0.822 10 A CB 0.390 19.391 19.000 0.000 0.000 1.088 10 A HN 0.132 nan 8.150 nan 0.000 0.495 11 S N 2.337 118.041 115.700 0.005 0.000 2.549 11 S HA 0.331 4.798 4.470 -0.004 0.000 0.283 11 S C -2.064 172.541 174.600 0.008 0.000 1.320 11 S CA -0.528 57.677 58.200 0.008 0.000 1.058 11 S CB 0.142 63.347 63.200 0.007 0.000 0.882 11 S HN 0.631 nan 8.310 nan 0.000 0.498 12 P HA 0.156 nan 4.420 nan 0.000 0.272 12 P C 0.185 177.490 177.300 0.008 0.000 1.230 12 P CA -0.324 62.782 63.100 0.010 0.000 0.788 12 P CB 0.651 32.358 31.700 0.012 0.000 0.949 13 A N 2.021 124.844 122.820 0.005 0.000 2.186 13 A HA -0.145 4.172 4.320 -0.004 0.000 0.219 13 A C 2.045 179.632 177.584 0.005 0.000 1.159 13 A CA 1.863 53.902 52.037 0.004 0.000 0.680 13 A CB -1.451 17.549 19.000 0.000 0.000 0.787 13 A HN 0.669 nan 8.150 nan 0.000 0.467 14 S N -1.485 114.219 115.700 0.006 0.000 2.527 14 S HA 0.066 4.533 4.470 -0.004 0.000 0.222 14 S C 1.421 176.025 174.600 0.007 0.000 0.985 14 S CA 0.940 59.144 58.200 0.007 0.000 0.921 14 S CB -0.044 63.160 63.200 0.008 0.000 0.772 14 S HN 0.206 nan 8.310 nan 0.000 0.529 15 V N 1.037 120.956 119.914 0.007 0.000 2.581 15 V HA 0.259 4.377 4.120 -0.004 0.000 0.240 15 V C 1.107 177.206 176.094 0.008 0.000 1.054 15 V CA 0.776 63.080 62.300 0.008 0.000 1.076 15 V CB 0.147 31.975 31.823 0.009 0.000 0.748 15 V HN 0.913 nan 8.190 nan 0.000 0.474 16 C N 0.664 119.968 119.300 0.007 0.000 3.284 16 C HA 0.785 5.243 4.460 -0.004 0.000 0.338 16 C C -0.903 174.091 174.990 0.008 0.000 1.237 16 C CA -1.266 57.757 59.018 0.008 0.000 1.276 16 C CB 1.528 29.273 27.740 0.009 0.000 1.601 16 C HN 0.663 nan 8.230 nan 0.000 0.494 17 R N 0.803 121.309 120.500 0.009 0.000 2.621 17 R HA 0.721 5.059 4.340 -0.004 0.000 0.284 17 R C -0.998 175.311 176.300 0.015 0.000 0.998 17 R CA -0.229 55.876 56.100 0.010 0.000 0.895 17 R CB 1.349 31.654 30.300 0.008 0.000 1.195 17 R HN 0.708 nan 8.270 nan 0.000 0.450 18 T N 3.397 117.960 114.554 0.015 0.000 2.834 18 T HA 0.128 4.475 4.350 -0.004 0.000 0.298 18 T C 0.664 175.387 174.700 0.038 0.000 0.966 18 T CA -0.495 61.619 62.100 0.023 0.000 1.141 18 T CB 0.902 69.777 68.868 0.010 0.000 0.905 18 T HN 0.441 nan 8.240 nan 0.000 0.535 19 K N 1.599 122.036 120.400 0.060 0.000 2.335 19 K HA 0.128 4.445 4.320 -0.004 0.000 0.195 19 K C 0.417 177.115 176.600 0.163 0.000 1.058 19 K CA 0.530 56.865 56.287 0.081 0.000 0.988 19 K CB 0.255 32.793 32.500 0.062 0.000 0.880 19 K HN 0.746 nan 8.250 nan 0.000 0.513 20 H N -0.913 118.182 119.070 0.041 0.000 3.112 20 H HA 0.421 4.974 4.556 -0.004 0.000 0.347 20 H C -2.068 173.314 175.328 0.091 0.000 1.188 20 H CA -1.021 55.070 56.048 0.072 0.000 1.240 20 H CB 1.155 30.954 29.762 0.062 0.000 1.920 20 H HN -0.075 nan 8.280 nan 0.000 0.535 21 L N 4.988 125.946 121.223 -0.443 0.000 2.325 21 L HA 0.407 4.745 4.340 -0.004 0.000 0.281 21 L C -1.459 175.211 176.870 -0.332 0.000 1.004 21 L CA -0.331 54.346 54.840 -0.272 0.000 0.823 21 L CB 1.092 43.048 42.059 -0.171 0.000 1.236 21 L HN 0.817 nan 8.230 nan 0.000 0.415 22 H N 6.393 125.364 119.070 -0.165 0.000 2.551 22 H HA 0.373 4.926 4.556 -0.004 0.000 0.321 22 H C -1.711 173.635 175.328 0.030 0.000 1.028 22 H CA -0.664 55.376 56.048 -0.014 0.000 1.215 22 H CB 1.536 31.366 29.762 0.114 0.000 1.414 22 H HN 0.696 nan 8.280 nan 0.000 0.480 23 L N 6.065 127.013 121.223 -0.459 0.000 2.317 23 L HA 0.489 4.826 4.340 -0.004 0.000 0.281 23 L C -0.555 176.106 176.870 -0.348 0.000 1.024 23 L CA -0.808 53.860 54.840 -0.287 0.000 0.810 23 L CB 0.872 42.839 42.059 -0.155 0.000 1.240 23 L HN 0.679 nan 8.230 nan 0.000 0.427 24 R N 4.432 124.829 120.500 -0.172 0.000 2.468 24 R HA 0.447 4.784 4.340 -0.004 0.000 0.302 24 R C -1.218 175.040 176.300 -0.071 0.000 1.041 24 R CA -0.498 55.546 56.100 -0.093 0.000 0.899 24 R CB 1.368 31.650 30.300 -0.029 0.000 1.167 24 R HN 0.779 nan 8.270 nan 0.000 0.483 25 C N -0.911 118.361 119.300 -0.048 0.000 3.171 25 C HA 0.795 5.252 4.460 -0.004 0.000 0.308 25 C C -0.243 174.727 174.990 -0.033 0.000 1.334 25 C CA -0.955 58.017 59.018 -0.076 0.000 1.473 25 C CB 2.004 29.701 27.740 -0.073 0.000 1.866 25 C HN 0.626 nan 8.230 nan 0.000 0.465 26 S N 0.246 115.916 115.700 -0.051 0.000 2.500 26 S HA 0.739 5.206 4.470 -0.004 0.000 0.301 26 S C -0.858 173.734 174.600 -0.012 0.000 1.092 26 S CA -0.342 57.850 58.200 -0.014 0.000 1.030 26 S CB 1.218 64.406 63.200 -0.021 0.000 1.031 26 S HN 0.928 nan 8.310 nan 0.000 0.483 27 V N 4.371 124.292 119.914 0.010 0.000 2.406 27 V HA 0.376 4.493 4.120 -0.004 0.000 0.272 27 V C -0.291 175.785 176.094 -0.030 0.000 1.043 27 V CA -0.620 61.667 62.300 -0.022 0.000 0.915 27 V CB 1.259 33.026 31.823 -0.093 0.000 0.988 27 V HN 0.854 nan 8.190 nan 0.000 0.466 28 D N 3.522 123.884 120.400 -0.063 0.000 2.464 28 D HA 0.363 5.001 4.640 -0.004 0.000 0.243 28 D C 0.433 176.601 176.300 -0.219 0.000 1.104 28 D CA -0.503 53.447 54.000 -0.082 0.000 0.883 28 D CB 0.798 41.544 40.800 -0.090 0.000 1.050 28 D HN 0.316 nan 8.370 nan 0.000 0.524 29 F N 1.172 121.151 119.950 0.048 0.000 2.451 29 F HA -0.050 4.474 4.527 -0.004 0.000 0.299 29 F C 2.366 178.096 175.800 -0.116 0.000 1.101 29 F CA 0.779 58.788 58.000 0.015 0.000 1.436 29 F CB -0.026 39.073 39.000 0.165 0.000 1.074 29 F HN 0.326 nan 8.300 nan 0.000 0.553 30 T N -0.742 113.840 114.554 0.047 0.000 2.942 30 T HA -0.045 4.302 4.350 -0.004 0.000 0.265 30 T C 1.840 176.469 174.700 -0.119 0.000 1.062 30 T CA 0.999 63.091 62.100 -0.014 0.000 1.139 30 T CB -0.043 68.827 68.868 0.003 0.000 0.883 30 T HN 0.224 nan 8.240 nan 0.000 0.468 31 R N 0.069 120.448 120.500 -0.203 0.000 2.397 31 R HA 0.341 4.678 4.340 -0.004 0.000 0.241 31 R C 0.115 176.139 176.300 -0.459 0.000 0.914 31 R CA -0.236 55.712 56.100 -0.253 0.000 1.071 31 R CB 0.430 30.620 30.300 -0.183 0.000 1.116 31 R HN 0.122 nan 8.270 nan 0.000 0.524 32 R N 1.430 121.459 120.500 -0.786 0.000 3.333 32 R HA -0.144 4.194 4.340 -0.004 0.000 0.256 32 R C -0.639 174.954 176.300 -1.178 0.000 1.010 32 R CA 1.220 56.295 56.100 -1.709 0.000 0.680 32 R CB -2.073 27.392 30.300 -1.391 0.000 1.102 32 R HN 0.410 nan 8.270 nan 0.000 0.440 33 T N -2.696 111.470 114.554 -0.648 0.000 2.906 33 T HA 0.666 5.013 4.350 -0.004 0.000 0.295 33 T C -0.320 174.398 174.700 0.030 0.000 1.061 33 T CA -1.097 60.904 62.100 -0.165 0.000 1.000 33 T CB 2.518 71.303 68.868 -0.138 0.000 1.103 33 T HN 0.208 nan 8.240 nan 0.000 0.486 34 L N 1.876 123.169 121.223 0.117 0.000 2.305 34 L HA 0.721 5.059 4.340 -0.004 0.000 0.284 34 L C -0.854 175.974 176.870 -0.069 0.000 1.013 34 L CA -0.169 54.715 54.840 0.073 0.000 0.819 34 L CB 1.553 43.688 42.059 0.126 0.000 1.227 34 L HN 0.951 nan 8.230 nan 0.000 0.417 35 T N 3.563 118.025 114.554 -0.154 0.000 2.876 35 T HA 0.908 5.255 4.350 -0.004 0.000 0.289 35 T C -0.100 174.382 174.700 -0.363 0.000 1.014 35 T CA -0.194 61.730 62.100 -0.294 0.000 0.986 35 T CB 1.819 70.576 68.868 -0.185 0.000 1.021 35 T HN 0.969 nan 8.240 nan 0.000 0.458 36 G N 1.218 109.665 108.800 -0.588 0.000 2.344 36 G HA2 0.495 4.453 3.960 -0.004 0.000 0.282 36 G HA3 0.495 4.453 3.960 -0.004 0.000 0.282 36 G C -0.917 173.685 174.900 -0.498 0.000 1.281 36 G CA -0.119 44.724 45.100 -0.427 0.000 0.877 36 G HN 0.969 nan 8.290 nan 0.000 0.494 37 T N -2.268 112.171 114.554 -0.190 0.000 2.887 37 T HA 0.853 5.200 4.350 -0.004 0.000 0.288 37 T C -0.319 174.488 174.700 0.178 0.000 1.021 37 T CA 0.312 62.419 62.100 0.012 0.000 1.000 37 T CB 1.904 70.791 68.868 0.031 0.000 1.034 37 T HN 2.145 nan 8.240 nan 0.000 0.467 38 A N 1.702 124.701 122.820 0.298 0.000 2.311 38 A HA 0.819 5.136 4.320 -0.004 0.000 0.306 38 A C 0.090 177.732 177.584 0.096 0.000 1.189 38 A CA -0.828 51.313 52.037 0.174 0.000 0.791 38 A CB 0.521 19.586 19.000 0.108 0.000 1.172 38 A HN 1.459 nan 8.150 nan 0.000 0.481 39 A N 3.599 126.474 122.820 0.091 0.000 2.260 39 A HA 0.639 4.956 4.320 -0.004 0.000 0.312 39 A C -0.409 177.223 177.584 0.079 0.000 1.321 39 A CA -0.276 51.823 52.037 0.104 0.000 0.928 39 A CB -0.111 18.988 19.000 0.166 0.000 1.158 39 A HN 0.806 nan 8.150 nan 0.000 0.542 40 L N 2.656 123.908 121.223 0.048 0.000 2.275 40 L HA 0.350 4.687 4.340 -0.004 0.000 0.288 40 L C 0.130 177.036 176.870 0.061 0.000 1.046 40 L CA -0.334 54.527 54.840 0.035 0.000 0.805 40 L CB 1.616 43.676 42.059 0.001 0.000 1.193 40 L HN 0.581 nan 8.230 nan 0.000 0.426 41 T N 3.293 117.901 114.554 0.091 0.000 2.727 41 T HA 0.393 4.740 4.350 -0.004 0.000 0.298 41 T C 0.078 174.816 174.700 0.064 0.000 0.942 41 T CA -0.294 61.861 62.100 0.091 0.000 0.997 41 T CB 0.903 69.852 68.868 0.136 0.000 0.917 41 T HN 0.196 nan 8.240 nan 0.000 0.487 42 V N 4.065 124.004 119.914 0.042 0.000 2.667 42 V HA 0.522 4.640 4.120 -0.004 0.000 0.308 42 V C -0.052 176.056 176.094 0.024 0.000 1.048 42 V CA -0.987 61.331 62.300 0.029 0.000 0.928 42 V CB 1.937 33.772 31.823 0.021 0.000 1.004 42 V HN 0.779 nan 8.190 nan 0.000 0.444 43 Q N 1.975 121.786 119.800 0.019 0.000 2.330 43 Q HA 0.504 4.841 4.340 -0.004 0.000 0.269 43 Q C -0.476 175.530 176.000 0.010 0.000 1.022 43 Q CA -0.282 55.528 55.803 0.013 0.000 0.796 43 Q CB 1.925 30.669 28.738 0.010 0.000 1.271 43 Q HN 0.816 nan 8.270 nan 0.000 0.450 44 S N 2.389 118.095 115.700 0.009 0.000 2.576 44 S HA 0.108 4.575 4.470 -0.004 0.000 0.276 44 S C 0.266 174.870 174.600 0.006 0.000 1.339 44 S CA -0.065 58.140 58.200 0.008 0.000 1.039 44 S CB 0.777 63.981 63.200 0.008 0.000 0.902 44 S HN 0.753 nan 8.310 nan 0.000 0.516 45 Q N 1.873 121.677 119.800 0.006 0.000 2.189 45 Q HA 0.339 4.676 4.340 -0.004 0.000 0.223 45 Q C -0.363 175.640 176.000 0.005 0.000 0.828 45 Q CA 0.316 56.122 55.803 0.005 0.000 0.967 45 Q CB 0.669 29.410 28.738 0.005 0.000 1.139 45 Q HN 0.738 nan 8.270 nan 0.000 0.497 46 E N 0.346 120.549 120.200 0.005 0.000 2.378 46 E HA 0.350 4.697 4.350 -0.004 0.000 0.265 46 E C -1.306 175.297 176.600 0.005 0.000 0.932 46 E CA -0.739 55.664 56.400 0.005 0.000 0.795 46 E CB 1.508 31.212 29.700 0.006 0.000 1.296 46 E HN -0.117 nan 8.360 nan 0.000 0.438 47 D N 0.241 120.643 120.400 0.005 0.000 2.210 47 D HA 0.135 4.773 4.640 -0.004 0.000 0.249 47 D C -0.348 175.955 176.300 0.005 0.000 1.062 47 D CA -0.072 53.931 54.000 0.005 0.000 0.891 47 D CB 0.485 41.287 40.800 0.004 0.000 1.186 47 D HN 0.475 nan 8.370 nan 0.000 0.432 48 N N 1.963 120.667 118.700 0.005 0.000 2.738 48 N HA -0.206 4.532 4.740 -0.004 0.000 0.249 48 N C -1.497 174.017 175.510 0.007 0.000 1.047 48 N CA 0.124 53.178 53.050 0.006 0.000 0.707 48 N CB -1.077 37.413 38.487 0.005 0.000 0.937 48 N HN 0.403 nan 8.380 nan 0.000 0.545 49 L N 0.708 121.936 121.223 0.008 0.000 2.360 49 L HA 0.344 4.681 4.340 -0.004 0.000 0.276 49 L C 1.301 178.178 176.870 0.011 0.000 1.121 49 L CA 0.472 55.318 54.840 0.010 0.000 0.845 49 L CB 0.690 42.755 42.059 0.010 0.000 1.143 49 L HN 0.288 nan 8.230 nan 0.000 0.452 50 R N 1.927 122.434 120.500 0.012 0.000 2.446 50 R HA 0.288 4.625 4.340 -0.004 0.000 0.254 50 R C -0.452 175.859 176.300 0.017 0.000 0.918 50 R CA 0.484 56.592 56.100 0.014 0.000 1.069 50 R CB 0.431 30.738 30.300 0.012 0.000 1.194 50 R HN 0.787 nan 8.270 nan 0.000 0.534 51 S N 0.146 115.857 115.700 0.018 0.000 2.567 51 S HA 0.576 5.043 4.470 -0.004 0.000 0.270 51 S C -1.452 173.159 174.600 0.019 0.000 1.152 51 S CA -1.170 57.043 58.200 0.022 0.000 0.835 51 S CB 1.485 64.699 63.200 0.023 0.000 1.115 51 S HN 0.096 nan 8.310 nan 0.000 0.459 52 L N -0.926 120.310 121.223 0.022 0.000 2.424 52 L HA 0.988 5.325 4.340 -0.004 0.000 0.258 52 L C -1.281 175.599 176.870 0.016 0.000 0.995 52 L CA -0.997 53.852 54.840 0.016 0.000 0.821 52 L CB 1.460 43.527 42.059 0.013 0.000 1.383 52 L HN 0.556 nan 8.230 nan 0.000 0.410 53 V N 2.348 122.268 119.914 0.010 0.000 2.547 53 V HA 0.662 4.779 4.120 -0.004 0.000 0.299 53 V C 0.001 176.092 176.094 -0.004 0.000 1.040 53 V CA -0.475 61.830 62.300 0.007 0.000 0.913 53 V CB 1.585 33.413 31.823 0.007 0.000 0.992 53 V HN 0.709 nan 8.190 nan 0.000 0.449 54 L N 2.070 123.285 121.223 -0.013 0.000 2.333 54 L HA 0.629 4.966 4.340 -0.004 0.000 0.263 54 L C -0.725 176.125 176.870 -0.034 0.000 1.014 54 L CA -0.833 53.989 54.840 -0.029 0.000 0.820 54 L CB 2.357 44.385 42.059 -0.051 0.000 1.352 54 L HN 0.541 nan 8.230 nan 0.000 0.421 55 D N 0.961 121.338 120.400 -0.039 0.000 2.264 55 D HA 0.517 5.154 4.640 -0.004 0.000 0.249 55 D C -0.335 175.929 176.300 -0.060 0.000 1.070 55 D CA 0.240 54.217 54.000 -0.038 0.000 0.912 55 D CB 2.109 42.894 40.800 -0.024 0.000 1.193 55 D HN 0.637 nan 8.370 nan 0.000 0.427 56 T N -1.677 112.845 114.554 -0.052 0.000 2.853 56 T HA 0.549 4.896 4.350 -0.004 0.000 0.311 56 T C -0.858 173.822 174.700 -0.035 0.000 1.307 56 T CA -1.092 60.971 62.100 -0.061 0.000 1.019 56 T CB 2.466 71.295 68.868 -0.064 0.000 1.264 56 T HN 0.315 nan 8.240 nan 0.000 0.497 57 K N 1.229 121.615 120.400 -0.023 0.000 2.690 57 K HA 0.340 4.658 4.320 -0.004 0.000 0.264 57 K C -1.102 175.504 176.600 0.011 0.000 1.040 57 K CA -0.437 55.850 56.287 -0.001 0.000 0.946 57 K CB 0.592 33.102 32.500 0.016 0.000 1.268 57 K HN 0.786 nan 8.250 nan 0.000 0.473 58 D N 2.402 122.810 120.400 0.012 0.000 2.870 58 D HA -0.188 4.449 4.640 -0.004 0.000 0.228 58 D C -0.483 175.834 176.300 0.029 0.000 1.147 58 D CA 1.045 55.057 54.000 0.020 0.000 0.757 58 D CB -0.773 40.041 40.800 0.024 0.000 1.091 58 D HN 0.444 nan 8.370 nan 0.000 0.429 59 L N -0.025 121.213 121.223 0.025 0.000 2.331 59 L HA 0.410 4.748 4.340 -0.004 0.000 0.275 59 L C 0.845 177.747 176.870 0.053 0.000 1.022 59 L CA -0.441 54.429 54.840 0.050 0.000 0.812 59 L CB 1.865 43.937 42.059 0.022 0.000 1.257 59 L HN -0.232 nan 8.230 nan 0.000 0.435 60 T N 3.763 118.363 114.554 0.077 0.000 2.801 60 T HA 0.415 4.762 4.350 -0.004 0.000 0.306 60 T C 0.074 174.818 174.700 0.073 0.000 1.020 60 T CA -0.395 61.741 62.100 0.060 0.000 0.948 60 T CB 0.187 69.079 68.868 0.040 0.000 0.962 60 T HN 0.150 nan 8.240 nan 0.000 0.465 61 I N 3.394 123.992 120.570 0.047 0.000 2.416 61 I HA 0.208 4.375 4.170 -0.004 0.000 0.288 61 I C 1.417 177.552 176.117 0.031 0.000 1.051 61 I CA -0.053 61.248 61.300 0.002 0.000 1.375 61 I CB 1.077 38.973 38.000 -0.173 0.000 1.407 61 I HN 0.758 nan 8.210 nan 0.000 0.516 62 E N 6.283 126.500 120.200 0.028 0.000 2.099 62 E HA 0.013 4.360 4.350 -0.004 0.000 0.191 62 E C -0.053 176.603 176.600 0.093 0.000 0.962 62 E CA 0.704 57.136 56.400 0.054 0.000 0.826 62 E CB 0.710 30.424 29.700 0.022 0.000 0.788 62 E HN 0.731 nan 8.360 nan 0.000 0.461 63 K N -1.427 119.000 120.400 0.045 0.000 2.660 63 K HA 0.388 4.705 4.320 -0.004 0.000 0.285 63 K C -1.572 175.035 176.600 0.011 0.000 0.997 63 K CA -0.856 55.490 56.287 0.099 0.000 0.861 63 K CB 1.739 34.303 32.500 0.107 0.000 1.469 63 K HN -0.133 nan 8.250 nan 0.000 0.395 64 V N 1.434 121.389 119.914 0.068 0.000 2.487 64 V HA 0.502 4.619 4.120 -0.004 0.000 0.298 64 V C -0.939 175.201 176.094 0.078 0.000 1.028 64 V CA -0.791 61.529 62.300 0.033 0.000 0.860 64 V CB 1.633 33.468 31.823 0.021 0.000 0.991 64 V HN 0.577 nan 8.190 nan 0.000 0.427 65 V N 6.300 126.247 119.914 0.055 0.000 2.540 65 V HA 0.595 4.712 4.120 -0.004 0.000 0.302 65 V C -0.415 175.707 176.094 0.047 0.000 1.035 65 V CA -0.399 61.933 62.300 0.054 0.000 0.873 65 V CB 1.987 33.839 31.823 0.048 0.000 0.992 65 V HN 0.716 nan 8.190 nan 0.000 0.428 66 I N 4.110 124.707 120.570 0.045 0.000 2.533 66 I HA 0.476 4.643 4.170 -0.004 0.000 0.290 66 I C 0.025 176.161 176.117 0.033 0.000 1.056 66 I CA -0.718 60.605 61.300 0.039 0.000 1.057 66 I CB 2.130 40.153 38.000 0.038 0.000 1.240 66 I HN 0.657 nan 8.210 nan 0.000 0.423 67 N N 4.564 123.281 118.700 0.029 0.000 2.721 67 N HA -0.207 4.531 4.740 -0.004 0.000 0.249 67 N C 0.920 176.444 175.510 0.023 0.000 1.072 67 N CA 1.298 54.362 53.050 0.023 0.000 0.710 67 N CB -0.955 37.544 38.487 0.020 0.000 0.993 67 N HN 1.209 nan 8.380 nan 0.000 0.547 68 G N -1.762 107.054 108.800 0.026 0.000 2.184 68 G HA2 -0.330 3.628 3.960 -0.004 0.000 0.264 68 G HA3 -0.330 3.628 3.960 -0.004 0.000 0.264 68 G C -0.124 174.792 174.900 0.026 0.000 0.975 68 G CA 0.792 45.907 45.100 0.025 0.000 0.642 68 G HN 0.472 nan 8.290 nan 0.000 0.536 69 Q N 0.089 119.907 119.800 0.029 0.000 2.387 69 Q HA 0.513 4.850 4.340 -0.004 0.000 0.273 69 Q C -0.145 175.880 176.000 0.042 0.000 1.089 69 Q CA -0.644 55.178 55.803 0.031 0.000 0.824 69 Q CB 1.482 30.235 28.738 0.026 0.000 1.367 69 Q HN 0.584 nan 8.270 nan 0.000 0.443 70 E N 0.790 121.018 120.200 0.046 0.000 2.331 70 E HA 0.361 4.709 4.350 -0.004 0.000 0.272 70 E C -0.168 176.472 176.600 0.067 0.000 1.036 70 E CA -0.400 56.039 56.400 0.065 0.000 0.864 70 E CB 1.298 31.038 29.700 0.066 0.000 1.035 70 E HN 0.384 nan 8.360 nan 0.000 0.408 71 V N -0.372 119.602 119.914 0.100 0.000 3.113 71 V HA 0.543 4.660 4.120 -0.004 0.000 0.316 71 V C -0.583 175.580 176.094 0.115 0.000 1.125 71 V CA -1.274 61.081 62.300 0.091 0.000 1.026 71 V CB 1.743 33.619 31.823 0.089 0.000 1.080 71 V HN 0.380 nan 8.190 nan 0.000 0.444 72 K N 1.943 122.375 120.400 0.053 0.000 2.270 72 K HA 0.636 4.953 4.320 -0.004 0.000 0.276 72 K C -0.833 175.811 176.600 0.073 0.000 1.023 72 K CA 0.197 56.471 56.287 -0.022 0.000 0.955 72 K CB 0.602 33.080 32.500 -0.038 0.000 0.975 72 K HN 0.934 nan 8.250 nan 0.000 0.471 73 Y N -1.472 118.833 120.300 0.008 0.000 2.592 73 Y HA 0.730 5.277 4.550 -0.005 0.000 0.334 73 Y C -1.536 174.367 175.900 0.005 0.000 1.136 73 Y CA -1.625 56.480 58.100 0.007 0.000 1.042 73 Y CB 0.930 39.396 38.460 0.010 0.000 1.325 73 Y HN 0.509 nan 8.280 nan 0.000 0.457 74 A N 3.063 126.003 122.820 0.200 0.000 2.475 74 A HA 0.815 5.132 4.320 -0.004 0.000 0.301 74 A C -2.056 175.623 177.584 0.158 0.000 1.059 74 A CA -0.965 51.140 52.037 0.113 0.000 0.710 74 A CB 1.584 20.600 19.000 0.027 0.000 1.288 74 A HN 0.836 nan 8.150 nan 0.000 0.408 75 L N 2.451 123.750 121.223 0.127 0.000 2.298 75 L HA 0.546 4.883 4.340 -0.004 0.000 0.284 75 L C 1.108 178.005 176.870 0.046 0.000 1.013 75 L CA -0.585 54.308 54.840 0.089 0.000 0.824 75 L CB 1.617 43.733 42.059 0.096 0.000 1.221 75 L HN 0.957 nan 8.230 nan 0.000 0.418 76 G N 2.211 111.028 108.800 0.029 0.000 2.611 76 G HA2 0.197 4.154 3.960 -0.004 0.000 0.273 76 G HA3 0.197 4.154 3.960 -0.004 0.000 0.273 76 G C -0.291 174.613 174.900 0.007 0.000 1.305 76 G CA -0.498 44.610 45.100 0.014 0.000 1.010 76 G HN 0.735 nan 8.290 nan 0.000 0.509 77 E N -0.476 119.723 120.200 -0.001 0.000 2.338 77 E HA 0.293 4.640 4.350 -0.004 0.000 0.272 77 E C 0.432 177.023 176.600 -0.015 0.000 1.029 77 E CA -0.740 55.657 56.400 -0.005 0.000 0.872 77 E CB 1.250 30.947 29.700 -0.006 0.000 1.015 77 E HN 0.464 nan 8.360 nan 0.000 0.417 78 R N 1.990 122.480 120.500 -0.015 0.000 2.758 78 R HA -0.124 4.214 4.340 -0.004 0.000 0.263 78 R C -0.289 175.984 176.300 -0.046 0.000 1.010 78 R CA 0.756 56.839 56.100 -0.028 0.000 1.114 78 R CB 0.432 30.721 30.300 -0.018 0.000 0.985 78 R HN 0.702 nan 8.270 nan 0.000 0.439 79 Q N 2.933 122.684 119.800 -0.081 0.000 3.075 79 Q HA 0.128 4.465 4.340 -0.004 0.000 0.318 79 Q C -0.144 175.740 176.000 -0.193 0.000 0.907 79 Q CA 0.050 55.782 55.803 -0.120 0.000 0.882 79 Q CB 1.317 29.974 28.738 -0.136 0.000 1.386 79 Q HN 1.057 nan 8.270 nan 0.000 0.408 80 S N -0.174 115.462 115.700 -0.107 0.000 3.927 80 S HA -0.409 4.058 4.470 -0.004 0.000 0.618 80 S C 1.002 175.543 174.600 -0.098 0.000 2.201 80 S CA 1.755 59.918 58.200 -0.062 0.000 4.160 80 S CB -1.376 61.826 63.200 0.003 0.000 0.266 80 S HN 0.762 nan 8.310 nan 0.000 0.760 81 Y N 1.155 121.458 120.300 0.005 0.000 2.465 81 Y HA 0.156 4.701 4.550 -0.008 0.000 0.289 81 Y C 2.114 178.002 175.900 -0.020 0.000 1.150 81 Y CA 1.174 59.272 58.100 -0.004 0.000 1.293 81 Y CB -0.645 37.804 38.460 -0.017 0.000 0.977 81 Y HN 0.531 nan 8.280 nan 0.000 0.556 82 K N 0.855 120.881 120.400 -0.623 0.000 2.366 82 K HA 0.233 4.551 4.320 -0.004 0.000 0.198 82 K C 1.291 177.799 176.600 -0.153 0.000 1.044 82 K CA 0.534 56.606 56.287 -0.357 0.000 0.973 82 K CB -0.231 32.020 32.500 -0.414 0.000 0.767 82 K HN 0.622 nan 8.250 nan 0.000 0.475 83 G N 0.628 109.353 108.800 -0.125 0.000 2.632 83 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.224 83 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.224 83 G C -0.707 174.157 174.900 -0.059 0.000 1.341 83 G CA -0.515 44.548 45.100 -0.061 0.000 0.880 83 G HN 0.170 nan 8.290 nan 0.000 0.566 84 S N 2.816 118.494 115.700 -0.036 0.000 2.509 84 S HA 0.754 5.222 4.470 -0.004 0.000 0.297 84 S C -2.374 172.212 174.600 -0.022 0.000 1.118 84 S CA -0.660 57.524 58.200 -0.026 0.000 1.074 84 S CB 2.451 65.646 63.200 -0.009 0.000 1.038 84 S HN 0.768 nan 8.310 nan 0.000 0.498 85 P HA 0.260 nan 4.420 nan 0.000 0.284 85 P C -1.202 176.101 177.300 0.006 0.000 1.253 85 P CA -0.529 62.565 63.100 -0.010 0.000 0.800 85 P CB 0.734 32.429 31.700 -0.007 0.000 0.961 86 M N 2.621 122.223 119.600 0.004 0.000 2.046 86 M HA 0.268 4.746 4.480 -0.004 0.000 0.309 86 M C -0.387 175.935 176.300 0.036 0.000 0.935 86 M CA -0.557 54.757 55.300 0.024 0.000 0.915 86 M CB 0.992 33.580 32.600 -0.021 0.000 1.474 86 M HN 0.308 nan 8.290 nan 0.000 0.415 87 E N 5.349 125.589 120.200 0.066 0.000 2.167 87 E HA 0.439 4.786 4.350 -0.004 0.000 0.284 87 E C -1.432 175.228 176.600 0.100 0.000 1.016 87 E CA -0.401 56.036 56.400 0.062 0.000 0.817 87 E CB 1.039 30.768 29.700 0.048 0.000 1.080 87 E HN 0.726 nan 8.360 nan 0.000 0.397 88 I N 3.172 123.789 120.570 0.079 0.000 2.377 88 I HA 0.203 4.370 4.170 -0.004 0.000 0.293 88 I C -0.258 175.902 176.117 0.071 0.000 0.987 88 I CA -0.735 60.626 61.300 0.101 0.000 1.185 88 I CB 2.035 40.076 38.000 0.069 0.000 1.341 88 I HN 0.394 nan 8.210 nan 0.000 0.455 89 S N 6.773 122.518 115.700 0.075 0.000 2.422 89 S HA 0.487 4.954 4.470 -0.004 0.000 0.298 89 S C -0.064 174.563 174.600 0.045 0.000 1.118 89 S CA -0.647 57.582 58.200 0.047 0.000 1.083 89 S CB 0.528 63.749 63.200 0.035 0.000 0.971 89 S HN 0.325 nan 8.310 nan 0.000 0.478 90 L N 5.456 126.699 121.223 0.034 0.000 2.439 90 L HA 0.224 4.562 4.340 -0.004 0.000 0.269 90 L C -0.797 176.089 176.870 0.026 0.000 1.179 90 L CA -1.434 53.424 54.840 0.031 0.000 0.828 90 L CB 0.292 42.366 42.059 0.024 0.000 1.106 90 L HN 0.456 nan 8.230 nan 0.000 0.467 91 P HA 0.024 nan 4.420 nan 0.000 0.222 91 P C 0.125 177.435 177.300 0.017 0.000 1.153 91 P CA 1.183 64.296 63.100 0.022 0.000 0.798 91 P CB 0.576 32.290 31.700 0.023 0.000 0.796 92 I N -0.647 119.932 120.570 0.016 0.000 2.569 92 I HA 0.433 4.600 4.170 -0.004 0.000 0.290 92 I C -0.092 176.033 176.117 0.012 0.000 1.088 92 I CA -1.583 59.724 61.300 0.013 0.000 1.047 92 I CB 2.191 40.198 38.000 0.012 0.000 1.237 92 I HN -0.198 nan 8.210 nan 0.000 0.421 93 A N 7.107 129.934 122.820 0.010 0.000 2.498 93 A HA 0.514 4.831 4.320 -0.004 0.000 0.239 93 A C -0.336 177.253 177.584 0.009 0.000 1.068 93 A CA 0.217 52.260 52.037 0.010 0.000 0.766 93 A CB 0.165 19.170 19.000 0.008 0.000 1.003 93 A HN 0.675 nan 8.150 nan 0.000 0.497 94 L N 2.201 123.429 121.223 0.009 0.000 2.331 94 L HA 0.494 4.831 4.340 -0.004 0.000 0.275 94 L C 0.769 177.643 176.870 0.006 0.000 1.022 94 L CA -0.573 54.272 54.840 0.008 0.000 0.812 94 L CB 1.940 44.005 42.059 0.009 0.000 1.257 94 L HN 0.902 nan 8.230 nan 0.000 0.435 95 S N 0.875 116.578 115.700 0.005 0.000 2.713 95 S HA 0.383 4.850 4.470 -0.004 0.000 0.283 95 S C -0.338 174.264 174.600 0.003 0.000 1.161 95 S CA -0.954 57.248 58.200 0.004 0.000 0.999 95 S CB 1.547 64.749 63.200 0.002 0.000 1.039 95 S HN 0.545 nan 8.310 nan 0.000 0.548 96 K N 0.715 121.116 120.400 0.002 0.000 2.524 96 K HA -0.010 4.308 4.320 -0.004 0.000 0.279 96 K C 0.123 176.724 176.600 0.000 0.000 0.993 96 K CA 0.539 56.827 56.287 0.002 0.000 1.030 96 K CB -0.168 32.333 32.500 0.001 0.000 0.891 96 K HN 0.679 nan 8.250 nan 0.000 0.488 97 N N 1.195 119.895 118.700 0.001 0.000 2.863 97 N HA -0.242 4.495 4.740 -0.004 0.000 0.245 97 N C -0.707 174.802 175.510 -0.001 0.000 1.001 97 N CA 1.028 54.077 53.050 -0.001 0.000 0.901 97 N CB -0.766 37.719 38.487 -0.004 0.000 1.124 97 N HN 0.735 nan 8.380 nan 0.000 0.582 98 Q N 0.698 120.499 119.800 0.001 0.000 2.259 98 Q HA 0.314 4.651 4.340 -0.004 0.000 0.249 98 Q C -0.543 175.460 176.000 0.005 0.000 0.914 98 Q CA 0.042 55.846 55.803 0.002 0.000 0.904 98 Q CB 0.818 29.558 28.738 0.003 0.000 1.213 98 Q HN 0.160 nan 8.270 nan 0.000 0.428 99 E N 2.740 122.943 120.200 0.006 0.000 2.244 99 E HA 0.593 4.941 4.350 -0.004 0.000 0.266 99 E C -0.895 175.713 176.600 0.015 0.000 0.914 99 E CA -0.690 55.717 56.400 0.011 0.000 0.794 99 E CB 1.854 31.560 29.700 0.010 0.000 1.210 99 E HN 0.583 nan 8.360 nan 0.000 0.414 100 I N -2.254 118.328 120.570 0.021 0.000 2.894 100 I HA 0.562 4.729 4.170 -0.004 0.000 0.302 100 I C -1.129 175.008 176.117 0.033 0.000 1.188 100 I CA -1.299 60.015 61.300 0.024 0.000 1.014 100 I CB 1.841 39.854 38.000 0.022 0.000 1.242 100 I HN 0.160 nan 8.210 nan 0.000 0.430 101 V N 5.226 125.162 119.914 0.037 0.000 2.370 101 V HA 0.459 4.577 4.120 -0.004 0.000 0.279 101 V C 0.023 176.144 176.094 0.045 0.000 1.029 101 V CA -0.280 62.050 62.300 0.049 0.000 0.870 101 V CB 1.320 33.176 31.823 0.055 0.000 0.984 101 V HN 0.487 nan 8.190 nan 0.000 0.451 102 I N 4.332 124.928 120.570 0.044 0.000 2.359 102 I HA 0.388 4.555 4.170 -0.004 0.000 0.284 102 I C 0.200 176.342 176.117 0.042 0.000 1.018 102 I CA -0.226 61.096 61.300 0.037 0.000 1.173 102 I CB 1.388 39.402 38.000 0.024 0.000 1.326 102 I HN 0.634 nan 8.210 nan 0.000 0.462 103 E N 7.408 127.638 120.200 0.049 0.000 2.167 103 E HA 0.487 4.835 4.350 -0.004 0.000 0.284 103 E C -1.022 175.610 176.600 0.052 0.000 1.016 103 E CA -0.514 55.923 56.400 0.061 0.000 0.817 103 E CB 1.165 30.905 29.700 0.068 0.000 1.080 103 E HN 0.511 nan 8.360 nan 0.000 0.397 104 I N 3.183 123.795 120.570 0.071 0.000 2.406 104 I HA 0.180 4.348 4.170 -0.004 0.000 0.290 104 I C -0.339 175.885 176.117 0.178 0.000 0.999 104 I CA -0.688 60.657 61.300 0.074 0.000 1.124 104 I CB 2.017 40.030 38.000 0.023 0.000 1.289 104 I HN 0.355 nan 8.210 nan 0.000 0.441 105 S N 6.864 122.622 115.700 0.096 0.000 2.452 105 S HA 0.623 5.091 4.470 -0.004 0.000 0.284 105 S C -0.500 174.153 174.600 0.088 0.000 1.171 105 S CA -0.492 57.732 58.200 0.040 0.000 1.064 105 S CB 0.252 63.449 63.200 -0.006 0.000 0.967 105 S HN 0.472 nan 8.310 nan 0.000 0.484 106 F N 0.393 120.312 119.950 -0.052 0.000 2.726 106 F HA 0.856 5.381 4.527 -0.004 0.000 0.324 106 F C -0.702 175.077 175.800 -0.036 0.000 1.140 106 F CA -1.296 56.673 58.000 -0.053 0.000 0.964 106 F CB 1.283 40.245 39.000 -0.064 0.000 1.399 106 F HN 0.434 nan 8.300 nan 0.000 0.491 107 E N 0.418 120.675 120.200 0.096 0.000 2.335 107 E HA 0.393 4.741 4.350 -0.004 0.000 0.280 107 E C -1.476 175.220 176.600 0.160 0.000 0.918 107 E CA -0.834 55.569 56.400 0.006 0.000 0.765 107 E CB 2.193 31.869 29.700 -0.041 0.000 1.218 107 E HN 0.940 nan 8.360 nan 0.000 0.425 108 T N 0.439 115.084 114.554 0.153 0.000 2.882 108 T HA 0.353 4.701 4.350 -0.004 0.000 0.287 108 T C 0.394 175.138 174.700 0.074 0.000 1.014 108 T CA -0.715 61.474 62.100 0.148 0.000 1.049 108 T CB 1.605 70.581 68.868 0.179 0.000 1.001 108 T HN 0.236 nan 8.240 nan 0.000 0.525 109 S N 1.523 117.260 115.700 0.062 0.000 2.562 109 S HA 0.343 4.810 4.470 -0.004 0.000 0.275 109 S C -1.610 172.998 174.600 0.014 0.000 1.281 109 S CA -1.688 56.523 58.200 0.020 0.000 1.045 109 S CB 0.476 63.687 63.200 0.018 0.000 0.962 109 S HN 0.567 nan 8.310 nan 0.000 0.503 110 P HA -0.091 nan 4.420 nan 0.000 0.219 110 P C 0.324 177.617 177.300 -0.012 0.000 1.146 110 P CA 1.169 64.196 63.100 -0.122 0.000 0.808 110 P CB 0.001 31.591 31.700 -0.184 0.000 0.779 111 K N -1.072 119.326 120.400 -0.004 0.000 2.500 111 K HA 0.210 4.527 4.320 -0.004 0.000 0.206 111 K C 0.339 176.943 176.600 0.007 0.000 1.034 111 K CA -0.331 55.956 56.287 0.001 0.000 1.179 111 K CB -0.107 32.386 32.500 -0.013 0.000 0.884 111 K HN -0.196 nan 8.250 nan 0.000 0.493 112 S N 1.167 116.889 115.700 0.037 0.000 2.546 112 S HA -0.049 4.418 4.470 -0.004 0.000 0.290 112 S C 1.071 175.643 174.600 -0.047 0.000 1.290 112 S CA -0.054 58.160 58.200 0.023 0.000 1.069 112 S CB 0.611 63.846 63.200 0.059 0.000 0.846 112 S HN 0.542 nan 8.310 nan 0.000 0.495 113 S N 3.794 119.460 115.700 -0.055 0.000 2.561 113 S HA 0.116 4.583 4.470 -0.004 0.000 0.225 113 S C 1.437 175.829 174.600 -0.347 0.000 0.977 113 S CA 0.273 58.365 58.200 -0.179 0.000 0.926 113 S CB -0.175 62.977 63.200 -0.080 0.000 0.769 113 S HN 0.905 nan 8.310 nan 0.000 0.533 114 A N 0.632 123.349 122.820 -0.172 0.000 2.220 114 A HA 0.575 4.893 4.320 -0.004 0.000 0.211 114 A C 0.622 178.138 177.584 -0.113 0.000 1.176 114 A CA -0.098 51.873 52.037 -0.110 0.000 0.834 114 A CB 0.000 19.016 19.000 0.026 0.000 0.868 114 A HN 0.498 nan 8.150 nan 0.000 0.488 115 L N -0.762 120.342 121.223 -0.198 0.000 2.333 115 L HA 0.565 4.902 4.340 -0.004 0.000 0.269 115 L C -0.324 176.261 176.870 -0.475 0.000 1.010 115 L CA -0.645 53.996 54.840 -0.332 0.000 0.818 115 L CB 1.944 43.819 42.059 -0.307 0.000 1.306 115 L HN 0.274 nan 8.230 nan 0.000 0.430 116 Q N 1.054 120.431 119.800 -0.705 0.000 2.292 116 Q HA 0.357 4.694 4.340 -0.004 0.000 0.270 116 Q C -2.118 173.592 176.000 -0.483 0.000 1.024 116 Q CA -0.591 54.868 55.803 -0.574 0.000 0.768 116 Q CB 1.645 29.983 28.738 -0.667 0.000 1.250 116 Q HN 0.497 nan 8.270 nan 0.000 0.447 117 W N 4.986 126.211 121.300 -0.125 0.000 2.391 117 W HA 0.488 5.144 4.660 -0.005 0.000 0.311 117 W C -0.710 175.863 176.519 0.090 0.000 1.087 117 W CA -0.439 56.925 57.345 0.031 0.000 1.209 117 W CB 0.896 30.373 29.460 0.028 0.000 1.273 117 W HN 0.398 nan 8.180 nan 0.000 0.482 118 L N 3.931 125.375 121.223 0.368 0.000 2.329 118 L HA 0.528 4.866 4.340 -0.004 0.000 0.279 118 L C 0.831 177.859 176.870 0.263 0.000 1.014 118 L CA -0.985 54.016 54.840 0.268 0.000 0.814 118 L CB 1.364 43.553 42.059 0.217 0.000 1.257 118 L HN 0.445 nan 8.230 nan 0.000 0.424 119 T N -0.996 113.665 114.554 0.179 0.000 2.788 119 T HA 0.222 4.569 4.350 -0.004 0.000 0.287 119 T C -1.909 172.851 174.700 0.100 0.000 1.007 119 T CA -1.498 60.681 62.100 0.132 0.000 1.005 119 T CB 1.174 70.094 68.868 0.088 0.000 1.012 119 T HN 0.324 nan 8.240 nan 0.000 0.530 120 P HA -0.151 nan 4.420 nan 0.000 0.216 120 P C 1.589 178.912 177.300 0.038 0.000 1.150 120 P CA 1.072 64.198 63.100 0.042 0.000 0.843 120 P CB -0.001 31.700 31.700 0.002 0.000 0.787 121 E N -0.082 120.138 120.200 0.034 0.000 2.268 121 E HA -0.192 4.155 4.350 -0.004 0.000 0.195 121 E C 1.539 178.162 176.600 0.039 0.000 0.995 121 E CA 1.021 57.438 56.400 0.029 0.000 0.836 121 E CB -0.931 28.783 29.700 0.023 0.000 0.763 121 E HN 0.483 nan 8.360 nan 0.000 0.491 122 Q N 1.087 120.919 119.800 0.053 0.000 2.444 122 Q HA 0.029 4.366 4.340 -0.004 0.000 0.206 122 Q C 0.684 176.704 176.000 0.033 0.000 0.948 122 Q CA 0.698 56.534 55.803 0.056 0.000 0.946 122 Q CB 0.332 29.118 28.738 0.080 0.000 1.027 122 Q HN 0.356 nan 8.270 nan 0.000 0.513 123 T N -4.640 109.933 114.554 0.031 0.000 2.922 123 T HA 0.334 4.682 4.350 -0.004 0.000 0.281 123 T C 1.008 175.719 174.700 0.019 0.000 1.005 123 T CA -0.677 61.428 62.100 0.008 0.000 0.982 123 T CB 1.635 70.534 68.868 0.052 0.000 1.158 123 T HN -0.202 nan 8.240 nan 0.000 0.566 124 S N -0.155 115.556 115.700 0.019 0.000 2.406 124 S HA 0.148 4.615 4.470 -0.004 0.000 0.224 124 S C 2.245 176.868 174.600 0.038 0.000 1.030 124 S CA 0.761 58.978 58.200 0.028 0.000 0.958 124 S CB -0.806 62.412 63.200 0.029 0.000 0.811 124 S HN 0.929 nan 8.310 nan 0.000 0.489 125 G N 1.105 109.940 108.800 0.058 0.000 2.421 125 G HA2 -0.083 3.874 3.960 -0.004 0.000 0.217 125 G HA3 -0.083 3.874 3.960 -0.004 0.000 0.217 125 G C 0.567 175.480 174.900 0.023 0.000 1.143 125 G CA 0.711 45.844 45.100 0.055 0.000 0.784 125 G HN 0.297 nan 8.290 nan 0.000 0.541 126 K N -0.864 119.550 120.400 0.022 0.000 3.547 126 K HA -0.158 4.159 4.320 -0.004 0.000 0.309 126 K C 1.114 177.688 176.600 -0.044 0.000 1.324 126 K CA 1.608 57.894 56.287 -0.001 0.000 0.988 126 K CB -1.306 31.192 32.500 -0.004 0.000 1.261 126 K HN 0.498 nan 8.250 nan 0.000 0.444 127 E N 0.074 120.219 120.200 -0.092 0.000 2.431 127 E HA 0.087 4.434 4.350 -0.004 0.000 0.200 127 E C 0.366 176.704 176.600 -0.436 0.000 0.995 127 E CA 0.431 56.669 56.400 -0.270 0.000 0.915 127 E CB 0.379 29.861 29.700 -0.363 0.000 0.930 127 E HN 0.409 nan 8.360 nan 0.000 0.496 128 H N -0.085 118.982 119.070 -0.005 0.000 2.865 128 H HA 0.346 4.899 4.556 -0.005 0.000 0.372 128 H C -2.224 173.071 175.328 -0.056 0.000 1.173 128 H CA -1.859 54.159 56.048 -0.050 0.000 1.147 128 H CB 2.098 31.832 29.762 -0.048 0.000 1.805 128 H HN -0.099 nan 8.280 nan 0.000 0.553 129 P HA 0.182 nan 4.420 nan 0.000 0.279 129 P C -1.133 176.184 177.300 0.028 0.000 1.282 129 P CA -0.195 62.850 63.100 -0.091 0.000 0.788 129 P CB 1.626 33.063 31.700 -0.438 0.000 1.139 130 Y N -0.713 119.653 120.300 0.109 0.000 2.521 130 Y HA 0.546 5.093 4.550 -0.005 0.000 0.332 130 Y C -1.783 174.302 175.900 0.308 0.000 1.121 130 Y CA -1.022 57.198 58.100 0.200 0.000 1.037 130 Y CB 1.442 39.992 38.460 0.150 0.000 1.330 130 Y HN 0.315 nan 8.280 nan 0.000 0.452 131 L N 7.211 128.602 121.223 0.279 0.000 2.401 131 L HA 0.872 5.209 4.340 -0.004 0.000 0.266 131 L C -2.006 174.864 176.870 -0.001 0.000 0.991 131 L CA -0.771 54.021 54.840 -0.080 0.000 0.818 131 L CB 1.788 43.483 42.059 -0.607 0.000 1.321 131 L HN 0.504 nan 8.230 nan 0.000 0.413 132 F N 1.566 121.470 119.950 -0.076 0.000 2.641 132 F HA 0.873 5.398 4.527 -0.005 0.000 0.308 132 F C -0.936 174.890 175.800 0.044 0.000 1.105 132 F CA -0.422 57.596 58.000 0.030 0.000 0.964 132 F CB 1.067 40.188 39.000 0.202 0.000 1.294 132 F HN 0.620 nan 8.300 nan 0.000 0.442 133 S N 1.779 117.691 115.700 0.353 0.000 2.664 133 S HA 0.800 5.267 4.470 -0.004 0.000 0.304 133 S C -1.071 173.778 174.600 0.416 0.000 1.099 133 S CA -0.594 57.737 58.200 0.218 0.000 1.003 133 S CB 1.963 65.198 63.200 0.058 0.000 1.092 133 S HN 1.041 nan 8.310 nan 0.000 0.525 134 Q N 0.407 120.381 119.800 0.289 0.000 2.709 134 Q HA 0.428 4.765 4.340 -0.004 0.000 0.232 134 Q C -0.777 175.338 176.000 0.193 0.000 0.856 134 Q CA -0.479 55.501 55.803 0.294 0.000 0.788 134 Q CB 0.361 29.360 28.738 0.435 0.000 1.386 134 Q HN 0.759 nan 8.270 nan 0.000 0.453 135 C N 2.118 121.501 119.300 0.138 0.000 2.512 135 C HA 0.158 4.615 4.460 -0.004 0.000 0.276 135 C C 1.017 176.088 174.990 0.135 0.000 1.368 135 C CA 0.111 59.225 59.018 0.160 0.000 1.755 135 C CB -0.240 27.566 27.740 0.110 0.000 2.008 135 C HN 0.784 nan 8.230 nan 0.000 0.511 136 Q N 0.373 120.210 119.800 0.062 0.000 2.311 136 Q HA 0.331 4.668 4.340 -0.004 0.000 0.272 136 Q C 0.861 176.680 176.000 -0.302 0.000 1.012 136 Q CA 0.164 55.861 55.803 -0.176 0.000 0.891 136 Q CB 0.916 29.523 28.738 -0.218 0.000 1.201 136 Q HN 0.514 nan 8.270 nan 0.000 0.391 137 A N 4.903 127.338 122.820 -0.642 0.000 1.911 137 A HA 0.064 4.381 4.320 -0.004 0.000 0.212 137 A C 1.114 178.313 177.584 -0.640 0.000 1.189 137 A CA 0.707 52.091 52.037 -1.088 0.000 0.639 137 A CB 0.094 17.914 19.000 -1.967 0.000 0.839 137 A HN 0.811 nan 8.150 nan 0.000 0.449 138 I N -4.899 115.305 120.570 -0.611 0.000 3.061 138 I HA 0.429 4.597 4.170 -0.004 0.000 0.341 138 I C 0.012 175.931 176.117 -0.329 0.000 1.457 138 I CA -0.384 60.731 61.300 -0.310 0.000 0.921 138 I CB 0.149 38.020 38.000 -0.215 0.000 1.845 138 I HN 0.068 nan 8.210 nan 0.000 0.535 139 H N -0.149 118.907 119.070 -0.025 0.000 2.586 139 H HA 0.187 4.740 4.556 -0.004 0.000 0.273 139 H C 1.803 177.128 175.328 -0.005 0.000 0.997 139 H CA -0.009 56.034 56.048 -0.009 0.000 1.177 139 H CB 0.688 30.449 29.762 -0.002 0.000 1.471 139 H HN 0.689 nan 8.280 nan 0.000 0.538 140 C N 2.000 121.350 119.300 0.084 0.000 2.425 140 C HA -0.124 4.333 4.460 -0.004 0.000 0.277 140 C C 2.970 177.950 174.990 -0.016 0.000 1.280 140 C CA 1.027 60.062 59.018 0.029 0.000 1.744 140 C CB -0.665 27.091 27.740 0.027 0.000 1.989 140 C HN 0.643 nan 8.230 nan 0.000 0.491 141 R N 0.986 121.481 120.500 -0.008 0.000 2.303 141 R HA -0.026 4.311 4.340 -0.004 0.000 0.225 141 R C 1.653 177.931 176.300 -0.036 0.000 1.114 141 R CA 1.671 57.747 56.100 -0.039 0.000 1.007 141 R CB -0.530 29.756 30.300 -0.023 0.000 0.861 141 R HN 0.514 nan 8.270 nan 0.000 0.471 142 A N 0.556 123.382 122.820 0.009 0.000 2.238 142 A HA 0.257 4.575 4.320 -0.004 0.000 0.210 142 A C 1.759 179.348 177.584 0.008 0.000 1.179 142 A CA 0.024 52.076 52.037 0.025 0.000 0.827 142 A CB 0.089 19.136 19.000 0.078 0.000 0.856 142 A HN 0.319 nan 8.150 nan 0.000 0.488 143 I N -1.055 119.497 120.570 -0.030 0.000 3.300 143 I HA 0.198 4.365 4.170 -0.004 0.000 0.279 143 I C -0.236 175.791 176.117 -0.150 0.000 1.172 143 I CA 0.380 61.663 61.300 -0.028 0.000 1.431 143 I CB 0.610 38.587 38.000 -0.038 0.000 1.240 143 I HN 0.354 nan 8.210 nan 0.000 0.453 144 L N -3.246 117.789 121.223 -0.313 0.000 2.582 144 L HA 0.633 4.971 4.340 -0.004 0.000 0.257 144 L C -3.169 173.412 176.870 -0.482 0.000 0.974 144 L CA -1.963 52.454 54.840 -0.705 0.000 0.851 144 L CB 0.399 42.048 42.059 -0.683 0.000 1.424 144 L HN -0.283 nan 8.230 nan 0.000 0.412 145 P HA 0.403 nan 4.420 nan 0.000 0.268 145 P C -0.730 176.440 177.300 -0.216 0.000 1.204 145 P CA -0.083 62.840 63.100 -0.296 0.000 0.768 145 P CB 0.490 32.024 31.700 -0.276 0.000 0.842 146 C N 0.621 119.839 119.300 -0.136 0.000 3.165 146 C HA 0.289 4.746 4.460 -0.004 0.000 0.345 146 C C -1.118 173.842 174.990 -0.050 0.000 1.367 146 C CA -0.866 58.096 59.018 -0.093 0.000 1.205 146 C CB 0.750 28.430 27.740 -0.101 0.000 1.447 146 C HN 0.449 nan 8.230 nan 0.000 0.451 147 Q N 1.018 120.801 119.800 -0.028 0.000 2.553 147 Q HA 0.200 4.538 4.340 -0.004 0.000 0.221 147 Q C -0.667 175.343 176.000 0.015 0.000 1.219 147 Q CA 0.152 55.953 55.803 -0.005 0.000 0.955 147 Q CB 0.292 29.029 28.738 -0.000 0.000 1.399 147 Q HN 0.598 nan 8.270 nan 0.000 0.551 148 D N 2.160 122.576 120.400 0.027 0.000 2.597 148 D HA 0.005 4.642 4.640 -0.004 0.000 0.228 148 D C -0.816 175.559 176.300 0.125 0.000 1.120 148 D CA 0.513 54.557 54.000 0.073 0.000 1.083 148 D CB 0.089 40.924 40.800 0.059 0.000 1.116 148 D HN 0.247 nan 8.370 nan 0.000 0.487 149 T N 0.944 115.561 114.554 0.106 0.000 2.952 149 T HA 0.382 4.730 4.350 -0.004 0.000 0.305 149 T C -2.458 172.265 174.700 0.038 0.000 1.064 149 T CA -1.659 60.485 62.100 0.074 0.000 1.008 149 T CB 2.024 70.907 68.868 0.026 0.000 1.078 149 T HN -0.074 nan 8.240 nan 0.000 0.459 150 P HA 0.098 nan 4.420 nan 0.000 0.253 150 P C 0.910 178.162 177.300 -0.079 0.000 1.281 150 P CA 0.114 63.184 63.100 -0.049 0.000 0.792 150 P CB -0.128 31.402 31.700 -0.283 0.000 1.193 151 S N -1.813 113.843 115.700 -0.072 0.000 2.593 151 S HA 0.138 4.606 4.470 -0.004 0.000 0.217 151 S C 0.637 175.222 174.600 -0.025 0.000 0.966 151 S CA -0.209 57.958 58.200 -0.055 0.000 0.914 151 S CB -0.375 62.797 63.200 -0.047 0.000 0.776 151 S HN -0.079 nan 8.310 nan 0.000 0.523 152 V N 1.906 121.812 119.914 -0.012 0.000 2.531 152 V HA 0.465 4.583 4.120 -0.004 0.000 0.301 152 V C -0.582 175.514 176.094 0.002 0.000 1.034 152 V CA -0.762 61.537 62.300 -0.001 0.000 0.865 152 V CB 1.898 33.724 31.823 0.004 0.000 0.995 152 V HN 0.240 nan 8.190 nan 0.000 0.424 153 K N 5.450 125.856 120.400 0.010 0.000 2.259 153 K HA 0.879 5.196 4.320 -0.004 0.000 0.252 153 K C -1.031 175.589 176.600 0.033 0.000 0.936 153 K CA -0.660 55.639 56.287 0.019 0.000 0.810 153 K CB 2.525 35.046 32.500 0.034 0.000 1.143 153 K HN 0.641 nan 8.250 nan 0.000 0.427 154 L N -1.738 119.515 121.223 0.051 0.000 2.397 154 L HA 0.663 5.000 4.340 -0.004 0.000 0.251 154 L C -0.329 176.612 176.870 0.117 0.000 1.064 154 L CA -0.919 53.967 54.840 0.077 0.000 0.859 154 L CB 1.895 43.995 42.059 0.069 0.000 1.468 154 L HN 0.648 nan 8.230 nan 0.000 0.411 155 T N -1.604 113.049 114.554 0.166 0.000 2.952 155 T HA 0.821 5.168 4.350 -0.004 0.000 0.286 155 T C -0.833 174.016 174.700 0.247 0.000 1.024 155 T CA -0.426 61.792 62.100 0.197 0.000 1.029 155 T CB 1.586 70.587 68.868 0.221 0.000 1.094 155 T HN 1.096 nan 8.240 nan 0.000 0.515 156 Y N -1.576 118.765 120.300 0.069 0.000 2.656 156 Y HA 0.740 5.287 4.550 -0.004 0.000 0.334 156 Y C -0.986 174.967 175.900 0.089 0.000 1.179 156 Y CA -1.121 56.887 58.100 -0.153 0.000 1.050 156 Y CB 0.947 39.318 38.460 -0.148 0.000 1.308 156 Y HN 1.059 nan 8.280 nan 0.000 0.456 157 T N -0.086 114.701 114.554 0.388 0.000 2.896 157 T HA 0.997 5.344 4.350 -0.004 0.000 0.297 157 T C -0.888 174.042 174.700 0.384 0.000 1.108 157 T CA -0.336 62.025 62.100 0.434 0.000 1.004 157 T CB 1.713 70.891 68.868 0.515 0.000 1.159 157 T HN 1.802 nan 8.240 nan 0.000 0.499 158 A N 1.002 124.033 122.820 0.352 0.000 2.604 158 A HA 0.745 5.062 4.320 -0.004 0.000 0.295 158 A C -1.574 176.165 177.584 0.259 0.000 1.067 158 A CA -0.996 51.159 52.037 0.195 0.000 0.683 158 A CB 1.455 20.594 19.000 0.232 0.000 1.281 158 A HN 0.849 nan 8.150 nan 0.000 0.407 159 E N 0.722 121.003 120.200 0.135 0.000 2.244 159 E HA 0.519 4.866 4.350 -0.004 0.000 0.260 159 E C -1.430 175.254 176.600 0.141 0.000 0.884 159 E CA -0.700 55.791 56.400 0.152 0.000 0.777 159 E CB 2.360 32.127 29.700 0.111 0.000 1.197 159 E HN 0.378 nan 8.360 nan 0.000 0.416 160 V N 1.971 122.017 119.914 0.220 0.000 2.448 160 V HA 0.320 4.438 4.120 -0.004 0.000 0.295 160 V C -0.060 176.139 176.094 0.175 0.000 1.025 160 V CA -0.720 61.693 62.300 0.188 0.000 0.859 160 V CB 1.685 33.657 31.823 0.249 0.000 0.988 160 V HN 0.573 nan 8.190 nan 0.000 0.431 161 S N 4.109 119.873 115.700 0.108 0.000 2.457 161 S HA 0.783 5.250 4.470 -0.004 0.000 0.289 161 S C -0.510 174.164 174.600 0.124 0.000 1.163 161 S CA -0.407 57.850 58.200 0.095 0.000 1.078 161 S CB 0.988 64.218 63.200 0.050 0.000 0.987 161 S HN 1.103 nan 8.310 nan 0.000 0.482 162 V N 2.657 122.668 119.914 0.162 0.000 3.159 162 V HA 0.762 4.880 4.120 -0.004 0.000 0.308 162 V C -3.094 173.106 176.094 0.176 0.000 1.190 162 V CA -2.880 59.542 62.300 0.203 0.000 1.037 162 V CB 1.166 33.144 31.823 0.258 0.000 1.060 162 V HN 0.593 nan 8.190 nan 0.000 0.437 163 P HA 0.125 nan 4.420 nan 0.000 0.264 163 P C 0.546 177.899 177.300 0.090 0.000 1.183 163 P CA 0.163 63.337 63.100 0.123 0.000 0.763 163 P CB 0.367 32.136 31.700 0.114 0.000 0.807 164 K N 2.575 123.011 120.400 0.059 0.000 2.281 164 K HA -0.208 4.109 4.320 -0.004 0.000 0.203 164 K C 0.818 177.441 176.600 0.038 0.000 1.046 164 K CA 1.663 57.977 56.287 0.046 0.000 0.938 164 K CB -0.273 32.240 32.500 0.022 0.000 0.737 164 K HN 0.249 nan 8.250 nan 0.000 0.458 165 E N 1.238 121.434 120.200 -0.008 0.000 2.107 165 E HA 0.037 4.384 4.350 -0.004 0.000 0.191 165 E C 0.666 177.185 176.600 -0.134 0.000 0.982 165 E CA 0.636 56.989 56.400 -0.078 0.000 0.809 165 E CB -0.107 29.492 29.700 -0.168 0.000 0.756 165 E HN 0.278 nan 8.360 nan 0.000 0.459 166 L N 0.111 121.256 121.223 -0.130 0.000 2.479 166 L HA 0.320 4.657 4.340 -0.004 0.000 0.249 166 L C 0.010 176.898 176.870 0.031 0.000 1.178 166 L CA -0.801 53.975 54.840 -0.107 0.000 0.811 166 L CB 0.548 42.543 42.059 -0.107 0.000 1.187 166 L HN -0.151 nan 8.230 nan 0.000 0.480 167 V N -0.252 119.614 119.914 -0.081 0.000 2.823 167 V HA 0.730 4.847 4.120 -0.004 0.000 0.312 167 V C -0.208 175.606 176.094 -0.466 0.000 1.072 167 V CA -0.632 61.504 62.300 -0.275 0.000 0.937 167 V CB 1.810 33.504 31.823 -0.215 0.000 1.013 167 V HN 0.870 nan 8.190 nan 0.000 0.430 168 A N 4.564 126.860 122.820 -0.874 0.000 2.340 168 A HA 0.982 5.299 4.320 -0.004 0.000 0.331 168 A C -1.166 176.186 177.584 -0.386 0.000 1.140 168 A CA -0.558 51.198 52.037 -0.468 0.000 0.801 168 A CB 1.159 20.071 19.000 -0.146 0.000 1.234 168 A HN 0.763 nan 8.150 nan 0.000 0.469 169 L N 1.639 122.649 121.223 -0.356 0.000 2.445 169 L HA 0.629 4.966 4.340 -0.004 0.000 0.262 169 L C -0.531 176.028 176.870 -0.519 0.000 0.974 169 L CA -0.221 54.381 54.840 -0.397 0.000 0.822 169 L CB 2.305 44.026 42.059 -0.564 0.000 1.339 169 L HN 0.783 nan 8.230 nan 0.000 0.409 170 M N 0.374 119.559 119.600 -0.692 0.000 2.704 170 M HA 0.314 4.791 4.480 -0.004 0.000 0.284 170 M C 0.042 176.211 176.300 -0.218 0.000 1.275 170 M CA -0.742 54.232 55.300 -0.544 0.000 0.811 170 M CB 2.493 34.548 32.600 -0.908 0.000 1.741 170 M HN 0.549 nan 8.290 nan 0.000 0.458 171 S N 0.323 115.970 115.700 -0.088 0.000 4.085 171 S HA 0.612 5.080 4.470 -0.004 0.000 0.189 171 S C -0.294 174.310 174.600 0.007 0.000 1.392 171 S CA -0.248 57.929 58.200 -0.038 0.000 0.972 171 S CB -1.040 62.121 63.200 -0.065 0.000 1.482 171 S HN 0.711 nan 8.310 nan 0.000 0.446 172 A N 1.826 124.648 122.820 0.002 0.000 2.493 172 A HA 0.666 4.983 4.320 -0.004 0.000 0.300 172 A C -1.073 176.591 177.584 0.132 0.000 1.152 172 A CA -0.926 51.121 52.037 0.017 0.000 0.643 172 A CB 0.468 19.432 19.000 -0.060 0.000 1.316 172 A HN 0.361 nan 8.150 nan 0.000 0.469 173 I N 1.164 121.818 120.570 0.139 0.000 2.428 173 I HA 0.293 4.460 4.170 -0.004 0.000 0.289 173 I C 0.845 177.092 176.117 0.216 0.000 1.019 173 I CA -0.081 61.316 61.300 0.162 0.000 1.351 173 I CB 0.828 38.892 38.000 0.106 0.000 1.412 173 I HN 0.652 nan 8.210 nan 0.000 0.513 174 R N 3.418 124.035 120.500 0.195 0.000 2.537 174 R HA 0.033 4.370 4.340 -0.004 0.000 0.280 174 R C -0.217 176.083 176.300 -0.001 0.000 1.058 174 R CA 0.150 56.304 56.100 0.089 0.000 1.057 174 R CB 0.419 30.787 30.300 0.114 0.000 0.973 174 R HN 0.440 nan 8.270 nan 0.000 0.438 175 D N 1.727 122.048 120.400 -0.132 0.000 2.696 175 D HA 0.226 4.863 4.640 -0.004 0.000 0.269 175 D C 0.018 176.265 176.300 -0.089 0.000 1.319 175 D CA 0.583 54.539 54.000 -0.075 0.000 0.826 175 D CB 0.521 41.293 40.800 -0.047 0.000 1.086 175 D HN 0.772 nan 8.370 nan 0.000 0.481 176 G N 1.114 109.866 108.800 -0.079 0.000 2.710 176 G HA2 -0.028 3.929 3.960 -0.004 0.000 0.668 176 G HA3 -0.028 3.929 3.960 -0.004 0.000 0.668 176 G C -0.778 174.057 174.900 -0.108 0.000 1.320 176 G CA -0.369 44.695 45.100 -0.060 0.000 0.860 176 G HN 0.321 nan 8.290 nan 0.000 0.538 177 E N -1.833 118.287 120.200 -0.133 0.000 2.372 177 E HA 0.771 5.119 4.350 -0.004 0.000 0.279 177 E C -0.414 176.054 176.600 -0.220 0.000 0.946 177 E CA -0.442 55.786 56.400 -0.288 0.000 0.769 177 E CB 2.213 31.605 29.700 -0.512 0.000 1.230 177 E HN 1.554 nan 8.360 nan 0.000 0.442 178 T N -1.483 112.931 114.554 -0.233 0.000 2.816 178 T HA 0.574 4.922 4.350 -0.004 0.000 0.299 178 T C -2.989 171.625 174.700 -0.143 0.000 1.230 178 T CA -2.161 59.851 62.100 -0.147 0.000 1.007 178 T CB 1.382 70.195 68.868 -0.091 0.000 1.289 178 T HN 0.239 nan 8.240 nan 0.000 0.508 179 P HA 0.276 nan 4.420 nan 0.000 0.271 179 P C -0.818 176.450 177.300 -0.052 0.000 1.218 179 P CA -0.175 62.883 63.100 -0.069 0.000 0.780 179 P CB 0.302 31.975 31.700 -0.044 0.000 0.901 180 D N 3.859 124.236 120.400 -0.039 0.000 2.338 180 D HA 0.068 4.705 4.640 -0.004 0.000 0.255 180 D C -1.536 174.757 176.300 -0.012 0.000 1.237 180 D CA -1.961 52.027 54.000 -0.021 0.000 0.883 180 D CB 0.511 41.307 40.800 -0.006 0.000 1.087 180 D HN 0.111 nan 8.370 nan 0.000 0.485 181 P HA -0.159 nan 4.420 nan 0.000 0.215 181 P C 0.672 177.971 177.300 -0.002 0.000 1.157 181 P CA 1.251 64.348 63.100 -0.006 0.000 0.874 181 P CB 0.040 31.738 31.700 -0.004 0.000 0.790 182 E N -1.076 119.124 120.200 -0.000 0.000 2.416 182 E HA 0.019 4.367 4.350 -0.004 0.000 0.189 182 E C -0.296 176.306 176.600 0.003 0.000 1.091 182 E CA 0.141 56.542 56.400 0.001 0.000 0.889 182 E CB -0.505 29.196 29.700 0.001 0.000 1.015 182 E HN 0.070 nan 8.360 nan 0.000 0.479 183 D N 0.005 120.408 120.400 0.004 0.000 2.087 183 D HA 0.070 4.707 4.640 -0.004 0.000 0.161 183 D C -2.518 173.786 176.300 0.007 0.000 1.196 183 D CA -1.334 52.671 54.000 0.008 0.000 0.916 183 D CB 1.435 42.243 40.800 0.014 0.000 2.216 183 D HN -0.218 nan 8.370 nan 0.000 0.512 184 P HA -0.023 nan 4.420 nan 0.000 0.230 184 P C 0.923 178.230 177.300 0.010 0.000 1.158 184 P CA 0.735 63.838 63.100 0.005 0.000 0.769 184 P CB 0.228 31.931 31.700 0.005 0.000 0.807 185 S N -2.042 113.669 115.700 0.019 0.000 2.597 185 S HA 0.240 4.708 4.470 -0.004 0.000 0.224 185 S C 0.628 175.249 174.600 0.035 0.000 0.955 185 S CA -0.468 57.749 58.200 0.028 0.000 0.933 185 S CB -0.272 62.949 63.200 0.035 0.000 0.788 185 S HN 0.009 nan 8.310 nan 0.000 0.488 186 R N 0.043 120.558 120.500 0.024 0.000 2.867 186 R HA 0.649 4.987 4.340 -0.004 0.000 0.268 186 R C -1.145 175.150 176.300 -0.008 0.000 1.014 186 R CA -0.918 55.200 56.100 0.030 0.000 0.946 186 R CB 1.515 31.839 30.300 0.040 0.000 1.208 186 R HN 0.083 nan 8.270 nan 0.000 0.477 187 K N 0.931 121.317 120.400 -0.023 0.000 2.385 187 K HA 0.540 4.857 4.320 -0.004 0.000 0.248 187 K C -0.863 175.651 176.600 -0.144 0.000 0.955 187 K CA -0.681 55.523 56.287 -0.139 0.000 0.816 187 K CB 2.179 34.512 32.500 -0.277 0.000 1.250 187 K HN 0.371 nan 8.250 nan 0.000 0.434 188 I N 2.788 123.228 120.570 -0.216 0.000 2.362 188 I HA 0.266 4.433 4.170 -0.004 0.000 0.289 188 I C -1.100 174.867 176.117 -0.251 0.000 0.994 188 I CA -0.777 60.447 61.300 -0.126 0.000 1.158 188 I CB 0.769 38.731 38.000 -0.064 0.000 1.315 188 I HN 0.433 nan 8.210 nan 0.000 0.451 189 Y N 5.535 125.816 120.300 -0.032 0.000 2.341 189 Y HA 0.421 4.969 4.550 -0.004 0.000 0.337 189 Y C -0.010 175.698 175.900 -0.320 0.000 1.014 189 Y CA -0.560 57.427 58.100 -0.187 0.000 1.111 189 Y CB 1.488 39.891 38.460 -0.095 0.000 1.194 189 Y HN 0.382 nan 8.280 nan 0.000 0.462 190 K N 3.709 123.881 120.400 -0.379 0.000 2.207 190 K HA 0.702 5.020 4.320 -0.004 0.000 0.255 190 K C -1.583 174.634 176.600 -0.638 0.000 0.941 190 K CA -0.612 55.498 56.287 -0.295 0.000 0.825 190 K CB 1.599 34.042 32.500 -0.096 0.000 1.119 190 K HN 0.400 nan 8.250 nan 0.000 0.430 191 F N 1.409 121.434 119.950 0.125 0.000 2.626 191 F HA 0.575 5.100 4.527 -0.004 0.000 0.311 191 F C -0.413 175.432 175.800 0.076 0.000 1.088 191 F CA -0.995 57.064 58.000 0.098 0.000 0.949 191 F CB 1.521 40.592 39.000 0.118 0.000 1.322 191 F HN 0.155 nan 8.300 nan 0.000 0.461 192 I N 1.778 122.464 120.570 0.194 0.000 2.571 192 I HA 0.337 4.505 4.170 -0.004 0.000 0.289 192 I C -1.425 174.636 176.117 -0.093 0.000 1.115 192 I CA -0.794 60.537 61.300 0.051 0.000 1.045 192 I CB 2.286 40.320 38.000 0.056 0.000 1.238 192 I HN 0.424 nan 8.210 nan 0.000 0.424 193 Q N 5.385 125.006 119.800 -0.298 0.000 2.401 193 Q HA 0.348 4.685 4.340 -0.004 0.000 0.260 193 Q C -0.316 175.585 176.000 -0.166 0.000 1.034 193 Q CA -0.342 55.261 55.803 -0.333 0.000 0.737 193 Q CB 1.437 29.692 28.738 -0.807 0.000 1.227 193 Q HN 0.512 nan 8.270 nan 0.000 0.488 194 K N 1.580 121.927 120.400 -0.089 0.000 2.365 194 K HA 0.149 4.467 4.320 -0.004 0.000 0.197 194 K C -0.015 176.518 176.600 -0.112 0.000 1.042 194 K CA 0.266 56.504 56.287 -0.082 0.000 0.987 194 K CB 0.605 33.051 32.500 -0.089 0.000 0.779 194 K HN 0.297 nan 8.250 nan 0.000 0.484 195 V N 3.776 123.620 119.914 -0.116 0.000 2.432 195 V HA 0.134 4.251 4.120 -0.004 0.000 0.271 195 V C -2.337 173.746 176.094 -0.018 0.000 1.046 195 V CA -2.201 59.998 62.300 -0.169 0.000 0.945 195 V CB 0.828 32.384 31.823 -0.445 0.000 0.992 195 V HN -0.008 nan 8.190 nan 0.000 0.471 196 P HA 0.249 nan 4.420 nan 0.000 0.265 196 P C -0.538 176.840 177.300 0.130 0.000 1.193 196 P CA 0.363 63.492 63.100 0.049 0.000 0.765 196 P CB 0.286 31.995 31.700 0.015 0.000 0.823 197 I N -0.018 120.618 120.570 0.111 0.000 2.827 197 I HA 0.630 4.798 4.170 -0.004 0.000 0.298 197 I C -2.914 173.191 176.117 -0.020 0.000 1.235 197 I CA -3.276 58.073 61.300 0.081 0.000 1.021 197 I CB 2.847 40.908 38.000 0.102 0.000 1.259 197 I HN 0.080 nan 8.210 nan 0.000 0.427 198 P HA 0.034 nan 4.420 nan 0.000 0.272 198 P C 0.913 178.077 177.300 -0.226 0.000 1.223 198 P CA -0.201 62.793 63.100 -0.176 0.000 0.784 198 P CB 1.091 32.630 31.700 -0.269 0.000 0.923 199 C N 0.569 119.812 119.300 -0.095 0.000 2.449 199 C HA -0.072 4.385 4.460 -0.004 0.000 0.283 199 C C 2.510 177.470 174.990 -0.050 0.000 1.453 199 C CA 0.214 59.189 59.018 -0.071 0.000 1.779 199 C CB -2.590 25.134 27.740 -0.027 0.000 1.779 199 C HN 0.628 nan 8.230 nan 0.000 0.546 200 Y N 0.456 120.789 120.300 0.054 0.000 2.616 200 Y HA 0.353 4.901 4.550 -0.003 0.000 0.296 200 Y C 1.723 177.624 175.900 0.002 0.000 1.154 200 Y CA 0.219 58.357 58.100 0.064 0.000 1.325 200 Y CB -0.895 37.684 38.460 0.200 0.000 1.007 200 Y HN 0.259 nan 8.280 nan 0.000 0.542 201 L N 0.998 121.979 121.223 -0.404 0.000 2.592 201 L HA 0.233 4.570 4.340 -0.004 0.000 0.227 201 L C 0.282 177.050 176.870 -0.171 0.000 1.127 201 L CA -0.076 54.581 54.840 -0.307 0.000 0.884 201 L CB -0.032 41.775 42.059 -0.421 0.000 1.065 201 L HN 0.177 nan 8.230 nan 0.000 0.457 202 I N 0.834 121.320 120.570 -0.140 0.000 2.496 202 I HA 0.278 4.445 4.170 -0.004 0.000 0.285 202 I C 0.386 176.405 176.117 -0.164 0.000 1.080 202 I CA 0.013 61.215 61.300 -0.163 0.000 1.404 202 I CB 1.077 38.902 38.000 -0.291 0.000 1.403 202 I HN 0.023 nan 8.210 nan 0.000 0.539 203 A N 6.898 129.619 122.820 -0.165 0.000 2.556 203 A HA 0.900 5.217 4.320 -0.004 0.000 0.294 203 A C -1.600 175.922 177.584 -0.103 0.000 1.091 203 A CA -0.489 51.456 52.037 -0.153 0.000 0.704 203 A CB 2.069 20.864 19.000 -0.342 0.000 1.300 203 A HN 0.545 nan 8.150 nan 0.000 0.406 204 L N 0.935 122.152 121.223 -0.010 0.000 2.482 204 L HA 0.833 5.171 4.340 -0.004 0.000 0.263 204 L C -1.672 175.201 176.870 0.005 0.000 0.957 204 L CA -0.518 54.278 54.840 -0.074 0.000 0.836 204 L CB 1.980 43.952 42.059 -0.144 0.000 1.324 204 L HN 1.223 nan 8.230 nan 0.000 0.406 205 V N 5.286 125.128 119.914 -0.120 0.000 2.851 205 V HA 0.847 4.964 4.120 -0.004 0.000 0.307 205 V C -1.790 174.110 176.094 -0.324 0.000 1.129 205 V CA -0.286 61.894 62.300 -0.201 0.000 0.932 205 V CB 2.414 34.049 31.823 -0.313 0.000 1.024 205 V HN 0.609 nan 8.190 nan 0.000 0.426 206 V N 6.167 125.864 119.914 -0.361 0.000 2.525 206 V HA 1.024 5.142 4.120 -0.004 0.000 0.299 206 V C 0.425 176.268 176.094 -0.419 0.000 1.034 206 V CA 0.492 62.628 62.300 -0.273 0.000 0.863 206 V CB 1.088 32.902 31.823 -0.015 0.000 0.999 206 V HN 1.342 nan 8.190 nan 0.000 0.423 207 G N 2.770 111.315 108.800 -0.425 0.000 2.489 207 G HA2 0.627 4.584 3.960 -0.004 0.000 0.305 207 G HA3 0.627 4.584 3.960 -0.004 0.000 0.305 207 G C -1.024 173.774 174.900 -0.169 0.000 1.311 207 G CA -0.088 44.782 45.100 -0.385 0.000 0.813 207 G HN 1.022 nan 8.290 nan 0.000 0.480 208 A N 0.532 123.341 122.820 -0.019 0.000 2.922 208 A HA 0.638 4.955 4.320 -0.004 0.000 0.298 208 A C 0.095 177.734 177.584 0.091 0.000 1.588 208 A CA -0.085 51.963 52.037 0.018 0.000 1.288 208 A CB -0.989 18.077 19.000 0.110 0.000 1.130 208 A HN 0.511 nan 8.150 nan 0.000 0.557 209 L N 1.486 122.754 121.223 0.076 0.000 2.322 209 L HA 0.529 4.867 4.340 -0.004 0.000 0.279 209 L C 0.254 177.284 176.870 0.268 0.000 1.036 209 L CA -0.412 54.536 54.840 0.180 0.000 0.807 209 L CB 1.513 43.663 42.059 0.152 0.000 1.226 209 L HN 0.570 nan 8.230 nan 0.000 0.433 210 E N 1.155 121.508 120.200 0.256 0.000 2.277 210 E HA 0.531 4.878 4.350 -0.004 0.000 0.266 210 E C -1.171 175.430 176.600 0.003 0.000 0.901 210 E CA -0.615 55.866 56.400 0.134 0.000 0.782 210 E CB 2.584 32.324 29.700 0.067 0.000 1.228 210 E HN 0.650 nan 8.360 nan 0.000 0.424 211 S N 1.911 117.415 115.700 -0.328 0.000 2.600 211 S HA 0.729 5.197 4.470 -0.004 0.000 0.300 211 S C -0.529 173.831 174.600 -0.400 0.000 1.087 211 S CA -0.971 56.793 58.200 -0.727 0.000 0.965 211 S CB 2.468 64.617 63.200 -1.751 0.000 1.089 211 S HN 0.565 nan 8.310 nan 0.000 0.496 212 R N 0.858 121.153 120.500 -0.340 0.000 2.548 212 R HA 0.334 4.672 4.340 -0.004 0.000 0.280 212 R C -1.434 174.777 176.300 -0.150 0.000 1.061 212 R CA -0.402 55.591 56.100 -0.178 0.000 0.915 212 R CB 1.818 32.068 30.300 -0.082 0.000 1.210 212 R HN 0.882 nan 8.270 nan 0.000 0.442 213 Q N 4.495 124.234 119.800 -0.101 0.000 2.296 213 Q HA 0.215 4.552 4.340 -0.004 0.000 0.262 213 Q C 0.617 176.611 176.000 -0.009 0.000 0.981 213 Q CA -0.031 55.738 55.803 -0.057 0.000 0.905 213 Q CB 0.866 29.581 28.738 -0.037 0.000 1.186 213 Q HN 0.762 nan 8.270 nan 0.000 0.399 214 I N 0.211 120.791 120.570 0.017 0.000 4.227 214 I HA 0.584 4.751 4.170 -0.004 0.000 0.334 214 I C 0.408 176.557 176.117 0.053 0.000 1.341 214 I CA -0.266 61.062 61.300 0.047 0.000 1.123 214 I CB 1.012 39.061 38.000 0.082 0.000 1.097 214 I HN 0.513 nan 8.210 nan 0.000 0.399 215 G N 1.388 110.217 108.800 0.049 0.000 2.601 215 G HA2 0.364 4.322 3.960 -0.004 0.000 0.291 215 G HA3 0.364 4.322 3.960 -0.004 0.000 0.291 215 G C -2.596 172.334 174.900 0.051 0.000 1.456 215 G CA -0.524 44.607 45.100 0.052 0.000 0.804 215 G HN -0.238 nan 8.290 nan 0.000 0.499 216 P HA -0.198 nan 4.420 nan 0.000 0.218 216 P C 0.879 178.219 177.300 0.066 0.000 1.150 216 P CA 1.467 64.597 63.100 0.050 0.000 0.841 216 P CB 0.178 31.905 31.700 0.045 0.000 0.784 217 R N -2.805 117.743 120.500 0.079 0.000 2.590 217 R HA 0.366 4.704 4.340 -0.004 0.000 0.410 217 R C -0.455 175.926 176.300 0.135 0.000 1.010 217 R CA -0.313 55.853 56.100 0.111 0.000 1.155 217 R CB -0.051 30.323 30.300 0.123 0.000 1.455 217 R HN -0.156 nan 8.270 nan 0.000 0.567 218 T N 1.664 116.285 114.554 0.112 0.000 2.841 218 T HA 0.471 4.818 4.350 -0.004 0.000 0.285 218 T C -1.413 173.327 174.700 0.066 0.000 0.991 218 T CA -0.481 61.693 62.100 0.124 0.000 0.966 218 T CB 1.910 70.877 68.868 0.164 0.000 0.962 218 T HN -0.022 nan 8.240 nan 0.000 0.438 219 L N 3.400 124.652 121.223 0.048 0.000 2.346 219 L HA 0.734 5.072 4.340 -0.004 0.000 0.274 219 L C -0.561 176.270 176.870 -0.064 0.000 1.007 219 L CA -0.790 54.008 54.840 -0.070 0.000 0.818 219 L CB 2.028 44.009 42.059 -0.129 0.000 1.284 219 L HN 0.455 nan 8.230 nan 0.000 0.424 220 V N 3.820 123.656 119.914 -0.130 0.000 2.417 220 V HA 0.549 4.666 4.120 -0.004 0.000 0.291 220 V C -1.350 174.686 176.094 -0.096 0.000 1.024 220 V CA -0.344 61.951 62.300 -0.009 0.000 0.861 220 V CB 1.318 33.202 31.823 0.102 0.000 0.985 220 V HN 0.746 nan 8.190 nan 0.000 0.436 221 W N 4.618 125.909 121.300 -0.015 0.000 2.639 221 W HA 0.833 5.490 4.660 -0.004 0.000 0.347 221 W C 0.185 176.693 176.519 -0.017 0.000 1.067 221 W CA 0.170 57.501 57.345 -0.023 0.000 1.218 221 W CB 2.040 31.460 29.460 -0.067 0.000 1.393 221 W HN 0.831 nan 8.180 nan 0.000 0.557 222 S N -0.718 115.141 115.700 0.264 0.000 2.683 222 S HA 0.211 4.678 4.470 -0.004 0.000 0.264 222 S C -1.227 173.471 174.600 0.164 0.000 1.066 222 S CA -1.290 57.014 58.200 0.173 0.000 0.846 222 S CB 0.668 63.947 63.200 0.130 0.000 1.114 222 S HN 0.497 nan 8.310 nan 0.000 0.476 223 E N 0.936 121.221 120.200 0.142 0.000 2.404 223 E HA 0.161 4.508 4.350 -0.004 0.000 0.261 223 E C 0.870 177.529 176.600 0.098 0.000 1.074 223 E CA -0.372 56.107 56.400 0.132 0.000 0.917 223 E CB 0.664 30.434 29.700 0.117 0.000 0.965 223 E HN 0.646 nan 8.360 nan 0.000 0.433 224 K N 2.016 122.470 120.400 0.090 0.000 2.144 224 K HA -0.288 4.029 4.320 -0.004 0.000 0.209 224 K C 1.260 177.892 176.600 0.053 0.000 1.047 224 K CA 1.922 58.249 56.287 0.067 0.000 0.927 224 K CB 0.113 32.650 32.500 0.062 0.000 0.716 224 K HN 0.341 nan 8.250 nan 0.000 0.454 225 E N 0.318 120.550 120.200 0.053 0.000 2.153 225 E HA -0.182 4.165 4.350 -0.004 0.000 0.194 225 E C 1.719 178.342 176.600 0.039 0.000 0.988 225 E CA 1.249 57.673 56.400 0.040 0.000 0.811 225 E CB 0.006 29.728 29.700 0.037 0.000 0.746 225 E HN 0.341 nan 8.360 nan 0.000 0.466 226 Q N -0.717 119.113 119.800 0.050 0.000 2.356 226 Q HA 0.144 4.481 4.340 -0.004 0.000 0.205 226 Q C 1.781 177.819 176.000 0.063 0.000 0.901 226 Q CA 0.010 55.845 55.803 0.054 0.000 0.938 226 Q CB 0.387 29.164 28.738 0.065 0.000 1.081 226 Q HN 0.087 nan 8.270 nan 0.000 0.517 227 V N 0.910 120.859 119.914 0.059 0.000 2.231 227 V HA -0.348 3.769 4.120 -0.004 0.000 0.248 227 V C 2.197 178.321 176.094 0.050 0.000 1.054 227 V CA 2.396 64.729 62.300 0.055 0.000 1.015 227 V CB -0.433 31.410 31.823 0.033 0.000 0.638 227 V HN 0.485 nan 8.190 nan 0.000 0.444 228 E N -0.058 120.163 120.200 0.035 0.000 2.070 228 E HA -0.318 4.029 4.350 -0.004 0.000 0.197 228 E C 2.352 178.976 176.600 0.040 0.000 1.004 228 E CA 1.978 58.396 56.400 0.031 0.000 0.805 228 E CB -0.150 29.556 29.700 0.010 0.000 0.744 228 E HN 0.536 nan 8.360 nan 0.000 0.451 229 K N -0.177 120.239 120.400 0.026 0.000 2.097 229 K HA -0.094 4.223 4.320 -0.004 0.000 0.206 229 K C 2.203 178.805 176.600 0.002 0.000 1.049 229 K CA 1.501 57.799 56.287 0.018 0.000 0.933 229 K CB 0.033 32.534 32.500 0.002 0.000 0.717 229 K HN 0.005 nan 8.250 nan 0.000 0.442 230 S N 0.438 116.150 115.700 0.020 0.000 2.383 230 S HA -0.089 4.378 4.470 -0.004 0.000 0.227 230 S C 1.962 176.605 174.600 0.071 0.000 1.026 230 S CA 1.020 59.233 58.200 0.021 0.000 0.981 230 S CB -0.101 63.236 63.200 0.228 0.000 0.818 230 S HN 0.487 nan 8.310 nan 0.000 0.472 231 A N 0.207 123.092 122.820 0.108 0.000 1.969 231 A HA -0.066 4.251 4.320 -0.004 0.000 0.218 231 A C 1.924 179.574 177.584 0.111 0.000 1.169 231 A CA 1.236 53.347 52.037 0.123 0.000 0.635 231 A CB -0.646 18.410 19.000 0.092 0.000 0.810 231 A HN 0.593 nan 8.150 nan 0.000 0.445 232 Y N 0.098 120.378 120.300 -0.034 0.000 2.231 232 Y HA 0.003 4.550 4.550 -0.004 0.000 0.294 232 Y C 2.279 178.121 175.900 -0.095 0.000 1.120 232 Y CA 1.807 59.882 58.100 -0.043 0.000 1.141 232 Y CB -0.258 38.173 38.460 -0.048 0.000 1.022 232 Y HN 0.335 nan 8.280 nan 0.000 0.523 233 E N 0.249 120.343 120.200 -0.176 0.000 2.097 233 E HA -0.201 4.146 4.350 -0.004 0.000 0.196 233 E C 0.716 177.025 176.600 -0.485 0.000 1.000 233 E CA 1.723 57.851 56.400 -0.453 0.000 0.804 233 E CB -0.449 28.789 29.700 -0.770 0.000 0.740 233 E HN 0.444 nan 8.360 nan 0.000 0.454 234 F N -0.081 119.879 119.950 0.017 0.000 2.819 234 F HA 0.242 4.766 4.527 -0.004 0.000 0.294 234 F C 1.520 177.328 175.800 0.014 0.000 1.166 234 F CA 0.100 58.123 58.000 0.039 0.000 1.374 234 F CB -0.213 38.836 39.000 0.081 0.000 0.956 234 F HN -0.033 nan 8.300 nan 0.000 0.509 235 S N -1.374 114.350 115.700 0.039 0.000 2.522 235 S HA -0.088 4.379 4.470 -0.004 0.000 0.227 235 S C 1.310 175.927 174.600 0.030 0.000 0.986 235 S CA 0.523 58.731 58.200 0.013 0.000 0.929 235 S CB -0.370 62.770 63.200 -0.099 0.000 0.769 235 S HN 0.532 nan 8.310 nan 0.000 0.529 236 E N 1.098 121.330 120.200 0.052 0.000 2.489 236 E HA 0.040 4.387 4.350 -0.004 0.000 0.193 236 E C 1.282 177.925 176.600 0.071 0.000 1.057 236 E CA 0.499 56.931 56.400 0.053 0.000 0.866 236 E CB -0.290 29.456 29.700 0.076 0.000 0.916 236 E HN 0.484 nan 8.360 nan 0.000 0.500 237 T N 1.476 116.099 114.554 0.114 0.000 2.665 237 T HA -0.242 4.106 4.350 -0.004 0.000 0.268 237 T C 1.802 176.525 174.700 0.038 0.000 1.035 237 T CA 1.813 63.977 62.100 0.107 0.000 1.151 237 T CB -0.143 68.834 68.868 0.181 0.000 0.862 237 T HN 0.137 nan 8.240 nan 0.000 0.438 238 E N 1.332 121.556 120.200 0.040 0.000 2.150 238 E HA -0.092 4.255 4.350 -0.004 0.000 0.193 238 E C 2.334 178.928 176.600 -0.010 0.000 0.985 238 E CA 1.429 57.835 56.400 0.009 0.000 0.814 238 E CB -0.364 29.350 29.700 0.024 0.000 0.752 238 E HN 0.587 nan 8.360 nan 0.000 0.466 239 S N -0.731 114.964 115.700 -0.007 0.000 2.436 239 S HA -0.086 4.381 4.470 -0.004 0.000 0.228 239 S C 2.046 176.626 174.600 -0.034 0.000 1.014 239 S CA 0.917 59.103 58.200 -0.023 0.000 0.950 239 S CB -0.288 62.892 63.200 -0.032 0.000 0.784 239 S HN 0.253 nan 8.310 nan 0.000 0.504 240 M N 0.817 120.402 119.600 -0.026 0.000 2.156 240 M HA 0.098 4.576 4.480 -0.004 0.000 0.264 240 M C 2.213 178.485 176.300 -0.048 0.000 1.067 240 M CA 1.202 56.486 55.300 -0.028 0.000 1.131 240 M CB -0.636 31.968 32.600 0.006 0.000 1.368 240 M HN 0.295 nan 8.290 nan 0.000 0.416 241 L N 0.282 121.460 121.223 -0.075 0.000 2.046 241 L HA -0.243 4.094 4.340 -0.004 0.000 0.208 241 L C 2.505 179.364 176.870 -0.020 0.000 1.077 241 L CA 1.487 56.274 54.840 -0.089 0.000 0.747 241 L CB -0.481 41.469 42.059 -0.182 0.000 0.896 241 L HN 0.283 nan 8.230 nan 0.000 0.432 242 K N 0.059 120.445 120.400 -0.023 0.000 2.026 242 K HA -0.170 4.147 4.320 -0.004 0.000 0.208 242 K C 2.035 178.620 176.600 -0.025 0.000 1.048 242 K CA 1.423 57.707 56.287 -0.006 0.000 0.929 242 K CB -0.271 32.224 32.500 -0.008 0.000 0.713 242 K HN 0.241 nan 8.250 nan 0.000 0.439 243 I N 1.201 121.744 120.570 -0.045 0.000 2.208 243 I HA -0.296 3.871 4.170 -0.004 0.000 0.245 243 I C 2.568 178.613 176.117 -0.120 0.000 1.097 243 I CA 1.198 62.459 61.300 -0.065 0.000 1.363 243 I CB -0.427 37.538 38.000 -0.058 0.000 1.051 243 I HN 0.175 nan 8.210 nan 0.000 0.413 244 A N 0.274 123.003 122.820 -0.152 0.000 1.902 244 A HA -0.224 4.093 4.320 -0.004 0.000 0.217 244 A C 2.233 179.477 177.584 -0.568 0.000 1.181 244 A CA 1.623 53.439 52.037 -0.367 0.000 0.623 244 A CB -0.570 18.255 19.000 -0.291 0.000 0.818 244 A HN 0.432 nan 8.150 nan 0.000 0.443 245 E N -0.630 119.455 120.200 -0.191 0.000 2.058 245 E HA -0.258 4.089 4.350 -0.004 0.000 0.194 245 E C 1.741 178.285 176.600 -0.092 0.000 0.997 245 E CA 1.431 57.837 56.400 0.009 0.000 0.801 245 E CB -0.230 29.580 29.700 0.184 0.000 0.746 245 E HN 0.727 nan 8.360 nan 0.000 0.450 246 D N -0.106 120.241 120.400 -0.088 0.000 2.218 246 D HA -0.153 4.484 4.640 -0.004 0.000 0.204 246 D C 1.671 177.897 176.300 -0.124 0.000 0.976 246 D CA 0.674 54.630 54.000 -0.073 0.000 0.853 246 D CB 0.158 40.928 40.800 -0.051 0.000 0.939 246 D HN 0.008 nan 8.370 nan 0.000 0.481 247 L N -0.827 120.264 121.223 -0.220 0.000 2.168 247 L HA 0.302 4.640 4.340 -0.004 0.000 0.203 247 L C 2.349 179.035 176.870 -0.307 0.000 1.078 247 L CA 1.561 56.257 54.840 -0.239 0.000 0.780 247 L CB -0.382 41.528 42.059 -0.248 0.000 0.939 247 L HN 0.218 nan 8.230 nan 0.000 0.451 248 G N -2.277 106.190 108.800 -0.555 0.000 3.228 248 G HA2 0.500 4.457 3.960 -0.004 0.000 0.245 248 G HA3 0.500 4.457 3.960 -0.004 0.000 0.245 248 G C 0.558 175.341 174.900 -0.194 0.000 1.051 248 G CA 0.443 45.206 45.100 -0.562 0.000 0.809 248 G HN 0.604 nan 8.290 nan 0.000 0.531 249 G N -0.181 108.584 108.800 -0.058 0.000 2.498 249 G HA2 0.022 3.979 3.960 -0.004 0.000 0.651 249 G HA3 0.022 3.979 3.960 -0.004 0.000 0.651 249 G C -3.068 172.079 174.900 0.412 0.000 1.284 249 G CA -0.804 44.400 45.100 0.174 0.000 0.950 249 G HN 0.154 nan 8.290 nan 0.000 0.511 250 P HA 0.252 nan 4.420 nan 0.000 0.265 250 P C -0.584 176.930 177.300 0.356 0.000 1.187 250 P CA 0.195 63.471 63.100 0.293 0.000 0.766 250 P CB 0.203 31.988 31.700 0.141 0.000 0.820 251 Y N 3.826 124.240 120.300 0.191 0.000 2.393 251 Y HA 0.251 4.798 4.550 -0.005 0.000 0.338 251 Y C 1.096 176.938 175.900 -0.097 0.000 1.029 251 Y CA -0.194 57.897 58.100 -0.015 0.000 1.239 251 Y CB 0.577 39.096 38.460 0.099 0.000 1.170 251 Y HN 0.192 nan 8.280 nan 0.000 0.515 252 V N 3.015 122.529 119.914 -0.666 0.000 3.621 252 V HA 0.069 4.186 4.120 -0.004 0.000 0.285 252 V C 0.604 176.181 176.094 -0.863 0.000 1.346 252 V CA 0.097 61.992 62.300 -0.674 0.000 1.104 252 V CB -0.782 30.636 31.823 -0.675 0.000 0.913 252 V HN 0.857 nan 8.190 nan 0.000 0.432 253 W N 1.374 122.162 121.300 -0.853 0.000 3.047 253 W HA 0.592 5.249 4.660 -0.005 0.000 0.250 253 W C 2.024 178.425 176.519 -0.197 0.000 1.314 253 W CA 0.986 58.004 57.345 -0.545 0.000 1.540 253 W CB -0.068 29.013 29.460 -0.630 0.000 1.127 253 W HN 0.502 nan 8.180 nan 0.000 0.679 254 G N 0.347 109.191 108.800 0.073 0.000 5.353 254 G HA2 -0.389 3.568 3.960 -0.004 0.000 0.283 254 G HA3 -0.389 3.568 3.960 -0.004 0.000 0.283 254 G C 0.276 175.419 174.900 0.405 0.000 1.457 254 G CA 0.553 45.787 45.100 0.224 0.000 0.951 254 G HN 0.260 nan 8.290 nan 0.000 0.731 255 Q N -0.236 119.800 119.800 0.394 0.000 2.266 255 Q HA 0.716 5.053 4.340 -0.004 0.000 0.261 255 Q C -1.434 174.856 176.000 0.483 0.000 0.985 255 Q CA -0.927 55.098 55.803 0.370 0.000 0.873 255 Q CB 1.367 30.253 28.738 0.246 0.000 1.306 255 Q HN 0.681 nan 8.270 nan 0.000 0.447 256 Y N 2.989 123.429 120.300 0.234 0.000 2.646 256 Y HA 0.410 4.958 4.550 -0.005 0.000 0.334 256 Y C -1.419 174.556 175.900 0.125 0.000 1.004 256 Y CA -0.830 57.369 58.100 0.165 0.000 1.301 256 Y CB 0.761 39.199 38.460 -0.037 0.000 1.093 256 Y HN 0.666 nan 8.280 nan 0.000 0.530 257 D N 4.359 124.583 120.400 -0.293 0.000 2.332 257 D HA 0.546 5.183 4.640 -0.004 0.000 0.252 257 D C -0.935 175.170 176.300 -0.325 0.000 1.050 257 D CA -0.156 53.760 54.000 -0.140 0.000 0.970 257 D CB 2.004 42.880 40.800 0.127 0.000 1.141 257 D HN 0.526 nan 8.370 nan 0.000 0.485 258 L N 1.385 122.547 121.223 -0.102 0.000 2.409 258 L HA 0.442 4.779 4.340 -0.004 0.000 0.272 258 L C -1.161 175.700 176.870 -0.016 0.000 0.980 258 L CA -0.949 53.800 54.840 -0.151 0.000 0.826 258 L CB 1.933 43.855 42.059 -0.227 0.000 1.268 258 L HN 0.094 nan 8.230 nan 0.000 0.407 259 L N 4.434 125.596 121.223 -0.102 0.000 2.333 259 L HA 0.615 4.952 4.340 -0.004 0.000 0.280 259 L C -0.895 175.854 176.870 -0.201 0.000 1.004 259 L CA -0.339 54.417 54.840 -0.141 0.000 0.820 259 L CB 1.933 43.745 42.059 -0.411 0.000 1.247 259 L HN 0.266 nan 8.230 nan 0.000 0.416 260 V N 6.533 126.402 119.914 -0.075 0.000 2.364 260 V HA 0.352 4.469 4.120 -0.004 0.000 0.272 260 V C 0.437 176.449 176.094 -0.135 0.000 1.036 260 V CA -0.371 61.900 62.300 -0.048 0.000 0.880 260 V CB 0.850 32.744 31.823 0.118 0.000 0.991 260 V HN 0.675 nan 8.190 nan 0.000 0.460 261 L N 6.848 127.905 121.223 -0.276 0.000 2.488 261 L HA 0.498 4.835 4.340 -0.004 0.000 0.249 261 L C -2.103 174.603 176.870 -0.274 0.000 1.151 261 L CA -1.673 52.940 54.840 -0.380 0.000 0.806 261 L CB 0.299 41.910 42.059 -0.745 0.000 1.261 261 L HN 0.396 nan 8.230 nan 0.000 0.484 262 P HA 0.097 nan 4.420 nan 0.000 0.272 262 P C -2.139 175.124 177.300 -0.063 0.000 1.230 262 P CA -0.955 62.011 63.100 -0.223 0.000 0.788 262 P CB 0.095 31.636 31.700 -0.266 0.000 0.949 263 P HA -0.207 nan 4.420 nan 0.000 0.219 263 P C 0.994 178.350 177.300 0.093 0.000 1.144 263 P CA 1.655 64.788 63.100 0.055 0.000 0.806 263 P CB -0.327 31.406 31.700 0.054 0.000 0.771 264 S N -2.575 113.203 115.700 0.131 0.000 2.603 264 S HA -0.014 4.454 4.470 -0.004 0.000 0.220 264 S C 0.504 175.249 174.600 0.242 0.000 0.967 264 S CA -0.441 57.878 58.200 0.198 0.000 0.920 264 S CB -1.189 62.174 63.200 0.273 0.000 0.773 264 S HN -0.033 nan 8.310 nan 0.000 0.529 265 F N 5.219 125.152 119.950 -0.028 0.000 2.578 265 F HA 0.252 4.777 4.527 -0.003 0.000 0.381 265 F C -1.310 174.400 175.800 -0.150 0.000 1.069 265 F CA -2.653 55.275 58.000 -0.120 0.000 1.231 265 F CB 0.719 39.569 39.000 -0.249 0.000 1.086 265 F HN -0.003 nan 8.300 nan 0.000 0.564 266 P HA -0.153 nan 4.420 nan 0.000 0.220 266 P C -0.609 176.005 177.300 -1.144 0.000 1.148 266 P CA 1.610 64.112 63.100 -0.996 0.000 0.803 266 P CB 0.066 31.009 31.700 -1.260 0.000 0.782 267 Y N -1.859 117.878 120.300 -0.938 0.000 2.675 267 Y HA 0.592 5.138 4.550 -0.005 0.000 0.328 267 Y C 2.237 178.033 175.900 -0.174 0.000 1.092 267 Y CA -0.648 57.157 58.100 -0.492 0.000 1.190 267 Y CB -0.061 38.162 38.460 -0.394 0.000 1.350 267 Y HN -0.329 nan 8.280 nan 0.000 0.525 268 G N -0.573 108.295 108.800 0.113 0.000 2.403 268 G HA2 0.350 4.308 3.960 -0.004 0.000 0.216 268 G HA3 0.350 4.308 3.960 -0.004 0.000 0.216 268 G C 0.278 175.352 174.900 0.289 0.000 1.154 268 G CA 0.762 45.944 45.100 0.137 0.000 0.784 268 G HN 0.940 nan 8.290 nan 0.000 0.538 269 G N -1.248 107.761 108.800 0.347 0.000 2.702 269 G HA2 0.484 4.442 3.960 -0.004 0.000 0.296 269 G HA3 0.484 4.442 3.960 -0.004 0.000 0.296 269 G C -1.765 173.359 174.900 0.373 0.000 1.463 269 G CA -0.697 44.630 45.100 0.378 0.000 0.890 269 G HN 0.201 nan 8.290 nan 0.000 0.534 270 M N 2.047 121.843 119.600 0.327 0.000 2.197 270 M HA 0.382 4.859 4.480 -0.004 0.000 0.301 270 M C 0.509 176.841 176.300 0.054 0.000 0.987 270 M CA -1.214 54.190 55.300 0.172 0.000 0.921 270 M CB 1.736 34.440 32.600 0.173 0.000 1.569 270 M HN 0.565 nan 8.290 nan 0.000 0.431 271 E N 2.894 123.120 120.200 0.043 0.000 2.705 271 E HA 0.008 4.356 4.350 -0.004 0.000 0.272 271 E C -1.115 175.397 176.600 -0.147 0.000 1.528 271 E CA 0.076 56.480 56.400 0.007 0.000 1.750 271 E CB -1.205 28.517 29.700 0.037 0.000 1.439 271 E HN 0.788 nan 8.360 nan 0.000 0.449 272 N N 3.971 122.535 118.700 -0.227 0.000 2.440 272 N HA 0.048 4.785 4.740 -0.004 0.000 0.265 272 N C -2.318 173.016 175.510 -0.293 0.000 1.239 272 N CA -0.936 51.928 53.050 -0.309 0.000 0.909 272 N CB 0.441 38.645 38.487 -0.472 0.000 1.066 272 N HN 0.264 nan 8.380 nan 0.000 0.474 273 P HA -0.186 nan 4.420 nan 0.000 0.261 273 P C 0.131 177.294 177.300 -0.228 0.000 1.173 273 P CA 0.162 62.930 63.100 -0.553 0.000 0.760 273 P CB 0.506 31.735 31.700 -0.785 0.000 0.783 274 C N 0.629 119.858 119.300 -0.118 0.000 5.678 274 C HA -0.214 4.243 4.460 -0.004 0.000 0.302 274 C C 0.594 175.551 174.990 -0.055 0.000 2.210 274 C CA 0.934 59.968 59.018 0.027 0.000 1.973 274 C CB -2.410 25.376 27.740 0.077 0.000 2.925 274 C HN 0.683 nan 8.230 nan 0.000 0.410 275 L N 1.368 122.528 121.223 -0.105 0.000 2.492 275 L HA 0.467 4.804 4.340 -0.004 0.000 0.259 275 L C 0.077 176.950 176.870 0.006 0.000 1.229 275 L CA 0.400 55.206 54.840 -0.057 0.000 0.903 275 L CB 0.787 42.870 42.059 0.041 0.000 1.114 275 L HN 0.191 nan 8.230 nan 0.000 0.494 276 T N 3.499 117.978 114.554 -0.124 0.000 2.930 276 T HA 0.340 4.688 4.350 -0.004 0.000 0.306 276 T C -0.361 174.456 174.700 0.194 0.000 1.045 276 T CA 0.594 62.690 62.100 -0.006 0.000 1.134 276 T CB 0.096 68.932 68.868 -0.054 0.000 0.961 276 T HN 0.140 nan 8.240 nan 0.000 0.545 277 F N 2.985 122.821 119.950 -0.190 0.000 2.427 277 F HA 0.544 5.068 4.527 -0.004 0.000 0.346 277 F C 0.359 176.000 175.800 -0.265 0.000 1.120 277 F CA -1.637 56.158 58.000 -0.342 0.000 1.033 277 F CB 1.134 39.796 39.000 -0.564 0.000 1.126 277 F HN 0.285 nan 8.300 nan 0.000 0.462 278 V N -0.083 119.753 119.914 -0.131 0.000 2.823 278 V HA 0.670 4.787 4.120 -0.004 0.000 0.312 278 V C -0.201 175.908 176.094 0.024 0.000 1.072 278 V CA -0.754 61.545 62.300 -0.001 0.000 0.937 278 V CB 1.395 33.185 31.823 -0.055 0.000 1.013 278 V HN 0.729 nan 8.190 nan 0.000 0.430 279 T N 4.216 118.889 114.554 0.197 0.000 2.907 279 T HA 0.405 4.752 4.350 -0.004 0.000 0.298 279 T C -1.146 173.656 174.700 0.169 0.000 1.017 279 T CA -0.962 61.261 62.100 0.205 0.000 1.118 279 T CB 1.248 70.254 68.868 0.232 0.000 0.948 279 T HN 0.855 nan 8.240 nan 0.000 0.531 280 P HA 0.024 nan 4.420 nan 0.000 0.242 280 P C 1.095 178.473 177.300 0.130 0.000 1.197 280 P CA 0.576 63.750 63.100 0.123 0.000 0.765 280 P CB -0.303 31.438 31.700 0.068 0.000 0.936 281 T N -3.567 111.078 114.554 0.153 0.000 3.160 281 T HA 0.094 4.441 4.350 -0.004 0.000 0.257 281 T C 1.599 176.400 174.700 0.168 0.000 1.147 281 T CA 0.191 62.389 62.100 0.163 0.000 1.064 281 T CB -0.904 68.112 68.868 0.246 0.000 0.949 281 T HN 0.065 nan 8.240 nan 0.000 0.526 282 L N 0.090 121.423 121.223 0.183 0.000 2.509 282 L HA 0.342 4.679 4.340 -0.004 0.000 0.222 282 L C 1.018 177.948 176.870 0.100 0.000 1.123 282 L CA 0.174 55.128 54.840 0.189 0.000 0.856 282 L CB -0.230 42.018 42.059 0.314 0.000 0.985 282 L HN 0.294 nan 8.230 nan 0.000 0.456 283 L N 0.901 122.164 121.223 0.066 0.000 2.416 283 L HA 0.102 4.439 4.340 -0.004 0.000 0.243 283 L C 1.724 178.601 176.870 0.012 0.000 1.373 283 L CA -0.408 54.428 54.840 -0.006 0.000 1.227 283 L CB -0.087 41.975 42.059 0.005 0.000 1.428 283 L HN 0.126 nan 8.230 nan 0.000 0.425 284 A N 0.831 123.661 122.820 0.016 0.000 2.014 284 A HA 0.164 4.481 4.320 -0.004 0.000 0.218 284 A C 1.952 179.548 177.584 0.021 0.000 1.163 284 A CA 1.154 53.204 52.037 0.021 0.000 0.652 284 A CB -0.156 18.856 19.000 0.021 0.000 0.808 284 A HN 0.777 nan 8.150 nan 0.000 0.449 285 G N -0.399 108.421 108.800 0.032 0.000 2.213 285 G HA2 -0.271 3.687 3.960 -0.004 0.000 0.236 285 G HA3 -0.271 3.687 3.960 -0.004 0.000 0.236 285 G C 0.330 175.311 174.900 0.134 0.000 0.991 285 G CA 0.935 46.071 45.100 0.060 0.000 0.629 285 G HN 0.880 nan 8.290 nan 0.000 0.517 286 D N -0.210 120.251 120.400 0.103 0.000 2.527 286 D HA 0.236 4.873 4.640 -0.004 0.000 0.224 286 D C 1.017 177.355 176.300 0.064 0.000 1.217 286 D CA 0.391 54.460 54.000 0.115 0.000 0.819 286 D CB -0.287 40.546 40.800 0.055 0.000 1.061 286 D HN 0.502 nan 8.370 nan 0.000 0.515 287 K N -0.092 120.323 120.400 0.025 0.000 3.341 287 K HA -0.187 4.131 4.320 -0.004 0.000 0.305 287 K C 0.914 177.547 176.600 0.055 0.000 1.270 287 K CA 0.953 57.238 56.287 -0.003 0.000 0.897 287 K CB -2.371 30.096 32.500 -0.055 0.000 1.264 287 K HN 0.337 nan 8.250 nan 0.000 0.468 288 S N -0.041 115.680 115.700 0.035 0.000 2.522 288 S HA 0.035 4.502 4.470 -0.004 0.000 0.227 288 S C 1.246 175.878 174.600 0.052 0.000 0.986 288 S CA 0.300 58.510 58.200 0.016 0.000 0.929 288 S CB 0.031 63.169 63.200 -0.102 0.000 0.769 288 S HN 0.398 nan 8.310 nan 0.000 0.529 289 L N 2.094 123.375 121.223 0.097 0.000 2.910 289 L HA 0.281 4.619 4.340 -0.004 0.000 0.252 289 L C 1.725 178.728 176.870 0.221 0.000 1.195 289 L CA 0.153 55.081 54.840 0.146 0.000 1.003 289 L CB -0.052 42.087 42.059 0.135 0.000 1.328 289 L HN 0.370 nan 8.230 nan 0.000 0.540 290 S N -0.677 115.170 115.700 0.244 0.000 2.595 290 S HA -0.127 4.340 4.470 -0.004 0.000 0.235 290 S C 1.582 176.359 174.600 0.296 0.000 0.974 290 S CA 0.703 59.082 58.200 0.298 0.000 0.942 290 S CB -0.525 62.845 63.200 0.284 0.000 0.766 290 S HN 0.650 nan 8.310 nan 0.000 0.536 291 N N 1.517 120.390 118.700 0.288 0.000 2.550 291 N HA -0.039 4.698 4.740 -0.004 0.000 0.186 291 N C 1.255 176.909 175.510 0.240 0.000 1.110 291 N CA 0.677 53.889 53.050 0.269 0.000 0.912 291 N CB -0.413 38.228 38.487 0.257 0.000 0.968 291 N HN 0.416 nan 8.380 nan 0.000 0.448 292 V N 1.078 121.133 119.914 0.234 0.000 2.719 292 V HA -0.056 4.061 4.120 -0.004 0.000 0.252 292 V C 2.312 178.567 176.094 0.269 0.000 1.065 292 V CA 0.668 63.102 62.300 0.223 0.000 1.086 292 V CB -0.271 31.669 31.823 0.196 0.000 0.700 292 V HN 0.207 nan 8.190 nan 0.000 0.467 293 I N 0.673 121.397 120.570 0.256 0.000 2.406 293 I HA -0.052 4.116 4.170 -0.004 0.000 0.249 293 I C 2.698 178.952 176.117 0.228 0.000 1.122 293 I CA 1.586 63.027 61.300 0.234 0.000 1.431 293 I CB -1.632 36.498 38.000 0.217 0.000 1.087 293 I HN 0.281 nan 8.210 nan 0.000 0.424 294 A N 0.390 123.341 122.820 0.218 0.000 1.933 294 A HA -0.284 4.033 4.320 -0.004 0.000 0.218 294 A C 2.297 179.989 177.584 0.180 0.000 1.175 294 A CA 2.091 54.231 52.037 0.172 0.000 0.628 294 A CB -1.081 18.025 19.000 0.177 0.000 0.814 294 A HN 0.543 nan 8.150 nan 0.000 0.444 295 H N -0.545 118.609 119.070 0.139 0.000 2.293 295 H HA -0.119 4.434 4.556 -0.005 0.000 0.300 295 H C 2.241 177.663 175.328 0.157 0.000 1.082 295 H CA 2.074 58.196 56.048 0.123 0.000 1.308 295 H CB 0.003 29.857 29.762 0.154 0.000 1.375 295 H HN 0.365 nan 8.280 nan 0.000 0.495 296 Q N 0.472 120.477 119.800 0.342 0.000 2.050 296 Q HA -0.128 4.209 4.340 -0.004 0.000 0.202 296 Q C 2.726 178.891 176.000 0.276 0.000 0.980 296 Q CA 1.558 57.576 55.803 0.358 0.000 0.840 296 Q CB -0.442 28.514 28.738 0.364 0.000 0.898 296 Q HN 0.601 nan 8.270 nan 0.000 0.424 297 I N 0.887 121.578 120.570 0.203 0.000 2.163 297 I HA -0.299 3.868 4.170 -0.004 0.000 0.243 297 I C 2.207 178.485 176.117 0.268 0.000 1.085 297 I CA 1.217 62.577 61.300 0.101 0.000 1.347 297 I CB -0.359 37.614 38.000 -0.046 0.000 1.044 297 I HN 0.087 nan 8.210 nan 0.000 0.408 298 S N -0.470 115.336 115.700 0.176 0.000 2.387 298 S HA -0.232 4.236 4.470 -0.004 0.000 0.230 298 S C 1.896 176.651 174.600 0.258 0.000 1.035 298 S CA 1.154 59.468 58.200 0.190 0.000 1.014 298 S CB -0.550 62.636 63.200 -0.024 0.000 0.836 298 S HN 0.449 nan 8.310 nan 0.000 0.466 299 H N 1.351 120.504 119.070 0.139 0.000 2.489 299 H HA 0.072 4.625 4.556 -0.005 0.000 0.295 299 H C 2.116 177.490 175.328 0.077 0.000 1.082 299 H CA 0.946 57.048 56.048 0.090 0.000 1.295 299 H CB -0.402 29.374 29.762 0.023 0.000 1.380 299 H HN 0.304 nan 8.280 nan 0.000 0.548 300 S N -0.417 115.402 115.700 0.198 0.000 2.537 300 S HA -0.131 4.336 4.470 -0.004 0.000 0.240 300 S C 1.352 175.884 174.600 -0.113 0.000 0.981 300 S CA 0.545 58.684 58.200 -0.102 0.000 0.948 300 S CB 0.067 63.160 63.200 -0.179 0.000 0.759 300 S HN 0.521 nan 8.310 nan 0.000 0.531 301 W N 0.785 122.191 121.300 0.176 0.000 3.797 301 W HA 0.139 4.796 4.660 -0.005 0.000 0.217 301 W C 0.544 177.095 176.519 0.053 0.000 0.934 301 W CA 0.135 57.541 57.345 0.102 0.000 2.464 301 W CB -1.125 28.379 29.460 0.074 0.000 1.165 301 W HN 0.101 nan 8.180 nan 0.000 0.677 302 T N 0.145 114.904 114.554 0.343 0.000 2.738 302 T HA 0.514 4.861 4.350 -0.004 0.000 0.294 302 T C 0.659 175.517 174.700 0.263 0.000 0.914 302 T CA 0.824 63.052 62.100 0.214 0.000 1.052 302 T CB 0.841 69.840 68.868 0.219 0.000 0.897 302 T HN 0.504 nan 8.240 nan 0.000 0.522 303 G N 4.329 113.238 108.800 0.182 0.000 3.131 303 G HA2 -0.250 3.707 3.960 -0.004 0.000 0.198 303 G HA3 -0.250 3.707 3.960 -0.004 0.000 0.198 303 G C 0.974 175.941 174.900 0.112 0.000 1.435 303 G CA -0.073 45.151 45.100 0.207 0.000 1.016 303 G HN 0.547 nan 8.290 nan 0.000 0.499 304 N N 0.547 119.300 118.700 0.088 0.000 2.368 304 N HA 0.296 5.033 4.740 -0.004 0.000 0.176 304 N C 2.184 177.793 175.510 0.166 0.000 1.021 304 N CA 0.960 54.038 53.050 0.048 0.000 0.888 304 N CB 0.042 38.434 38.487 -0.157 0.000 0.995 304 N HN 0.478 nan 8.380 nan 0.000 0.437 305 L N -0.148 121.126 121.223 0.085 0.000 2.189 305 L HA 0.180 4.518 4.340 -0.004 0.000 0.199 305 L C 0.010 176.782 176.870 -0.163 0.000 1.074 305 L CA 0.470 55.241 54.840 -0.115 0.000 0.783 305 L CB 0.324 42.243 42.059 -0.232 0.000 0.955 305 L HN -0.151 nan 8.230 nan 0.000 0.460 306 V N 0.037 119.872 119.914 -0.132 0.000 2.398 306 V HA 0.356 4.473 4.120 -0.004 0.000 0.286 306 V C -0.309 175.724 176.094 -0.102 0.000 1.026 306 V CA -0.390 61.803 62.300 -0.178 0.000 0.868 306 V CB 1.419 33.039 31.823 -0.338 0.000 0.982 306 V HN 0.157 nan 8.190 nan 0.000 0.443 307 T N 3.795 118.288 114.554 -0.102 0.000 2.916 307 T HA 0.384 4.732 4.350 -0.004 0.000 0.292 307 T C -0.229 174.396 174.700 -0.125 0.000 1.055 307 T CA -0.801 61.261 62.100 -0.062 0.000 1.009 307 T CB 1.362 70.222 68.868 -0.012 0.000 1.118 307 T HN 0.864 nan 8.240 nan 0.000 0.497 308 N N 0.890 119.510 118.700 -0.133 0.000 2.520 308 N HA 0.227 4.964 4.740 -0.004 0.000 0.273 308 N C 0.840 176.228 175.510 -0.204 0.000 1.155 308 N CA -0.706 52.244 53.050 -0.168 0.000 0.967 308 N CB 1.420 39.830 38.487 -0.128 0.000 1.092 308 N HN 0.522 nan 8.380 nan 0.000 0.457 309 K N 0.617 120.925 120.400 -0.153 0.000 2.097 309 K HA -0.097 4.220 4.320 -0.004 0.000 0.205 309 K C 0.505 177.009 176.600 -0.160 0.000 1.050 309 K CA 1.404 57.612 56.287 -0.131 0.000 0.938 309 K CB 0.046 32.491 32.500 -0.092 0.000 0.718 309 K HN 0.868 nan 8.250 nan 0.000 0.442 310 T N -5.261 109.225 114.554 -0.113 0.000 2.812 310 T HA 0.210 4.557 4.350 -0.004 0.000 0.294 310 T C -0.134 174.426 174.700 -0.234 0.000 1.159 310 T CA -0.917 61.069 62.100 -0.189 0.000 1.008 310 T CB 0.260 69.142 68.868 0.024 0.000 1.289 310 T HN 0.274 nan 8.240 nan 0.000 0.514 311 W N 0.202 121.522 121.300 0.033 0.000 2.937 311 W HA 0.160 4.816 4.660 -0.006 0.000 0.245 311 W C 1.042 177.564 176.519 0.005 0.000 1.306 311 W CA -0.152 57.191 57.345 -0.004 0.000 1.470 311 W CB -0.113 29.282 29.460 -0.108 0.000 1.132 311 W HN 0.699 nan 8.180 nan 0.000 0.675 312 D N -1.410 119.047 120.400 0.094 0.000 2.312 312 D HA -0.112 4.525 4.640 -0.004 0.000 0.211 312 D C 1.300 177.488 176.300 -0.187 0.000 0.964 312 D CA 1.225 55.178 54.000 -0.078 0.000 0.877 312 D CB -0.261 40.403 40.800 -0.227 0.000 0.924 312 D HN 0.314 nan 8.370 nan 0.000 0.515 313 H N -0.867 118.333 119.070 0.217 0.000 2.488 313 H HA 0.082 4.636 4.556 -0.003 0.000 0.294 313 H C 1.002 176.389 175.328 0.097 0.000 1.088 313 H CA -0.406 55.745 56.048 0.172 0.000 1.086 313 H CB -0.228 29.549 29.762 0.025 0.000 1.569 313 H HN 0.059 nan 8.280 nan 0.000 0.548 314 F N 2.317 122.357 119.950 0.150 0.000 2.184 314 F HA -0.272 4.253 4.527 -0.004 0.000 0.301 314 F C 2.314 178.164 175.800 0.084 0.000 1.076 314 F CA 1.315 59.407 58.000 0.153 0.000 1.295 314 F CB -0.221 38.920 39.000 0.236 0.000 1.026 314 F HN 0.393 nan 8.300 nan 0.000 0.494 315 W N 0.524 121.824 121.300 -0.001 0.000 2.392 315 W HA -0.182 4.475 4.660 -0.005 0.000 0.279 315 W C 1.532 177.968 176.519 -0.139 0.000 1.225 315 W CA 0.931 58.188 57.345 -0.145 0.000 1.233 315 W CB -1.483 27.947 29.460 -0.051 0.000 1.122 315 W HN 0.123 nan 8.180 nan 0.000 0.561 316 L N 1.318 121.921 121.223 -1.034 0.000 2.083 316 L HA -0.256 4.081 4.340 -0.004 0.000 0.209 316 L C 2.432 179.095 176.870 -0.345 0.000 1.083 316 L CA 1.818 56.064 54.840 -0.989 0.000 0.752 316 L CB -0.973 40.605 42.059 -0.801 0.000 0.899 316 L HN -0.005 nan 8.230 nan 0.000 0.433 317 N N -0.356 118.176 118.700 -0.280 0.000 2.051 317 N HA -0.152 4.585 4.740 -0.004 0.000 0.192 317 N C 1.807 177.272 175.510 -0.076 0.000 1.049 317 N CA 1.122 54.105 53.050 -0.113 0.000 0.845 317 N CB -0.095 38.324 38.487 -0.114 0.000 1.031 317 N HN 0.157 nan 8.380 nan 0.000 0.425 318 E N -0.114 119.883 120.200 -0.339 0.000 2.150 318 E HA -0.022 4.326 4.350 -0.004 0.000 0.193 318 E C 1.985 178.549 176.600 -0.061 0.000 0.985 318 E CA 0.848 57.068 56.400 -0.301 0.000 0.814 318 E CB -0.646 28.452 29.700 -1.004 0.000 0.752 318 E HN 0.442 nan 8.360 nan 0.000 0.466 319 G N 0.748 109.547 108.800 -0.003 0.000 2.433 319 G HA2 -0.265 3.692 3.960 -0.004 0.000 0.216 319 G HA3 -0.265 3.692 3.960 -0.004 0.000 0.216 319 G C 1.268 176.271 174.900 0.171 0.000 1.186 319 G CA 1.007 46.204 45.100 0.162 0.000 0.779 319 G HN 0.319 nan 8.290 nan 0.000 0.543 320 H N 0.021 119.159 119.070 0.113 0.000 2.353 320 H HA 0.017 4.570 4.556 -0.005 0.000 0.300 320 H C 2.945 178.416 175.328 0.238 0.000 1.090 320 H CA 1.736 57.908 56.048 0.206 0.000 1.327 320 H CB -0.385 29.459 29.762 0.136 0.000 1.383 320 H HN 0.262 nan 8.280 nan 0.000 0.508 321 T N -0.085 114.580 114.554 0.186 0.000 2.720 321 T HA -0.137 4.211 4.350 -0.004 0.000 0.268 321 T C 2.231 176.966 174.700 0.058 0.000 1.037 321 T CA 1.372 63.438 62.100 -0.057 0.000 1.144 321 T CB -0.385 68.134 68.868 -0.582 0.000 0.864 321 T HN 0.107 nan 8.240 nan 0.000 0.444 322 V N 0.185 120.237 119.914 0.230 0.000 2.548 322 V HA -0.110 4.007 4.120 -0.004 0.000 0.249 322 V C 1.954 178.235 176.094 0.313 0.000 1.055 322 V CA 1.278 63.755 62.300 0.295 0.000 1.065 322 V CB -0.687 31.332 31.823 0.327 0.000 0.681 322 V HN 0.499 nan 8.190 nan 0.000 0.462 323 Y N 0.369 120.899 120.300 0.382 0.000 2.200 323 Y HA -0.169 4.379 4.550 -0.004 0.000 0.290 323 Y C 2.183 178.319 175.900 0.393 0.000 1.137 323 Y CA 1.591 59.988 58.100 0.495 0.000 1.163 323 Y CB -0.115 38.599 38.460 0.425 0.000 0.988 323 Y HN 0.124 nan 8.280 nan 0.000 0.518 324 L N 0.082 121.514 121.223 0.349 0.000 2.027 324 L HA -0.187 4.150 4.340 -0.004 0.000 0.206 324 L C 2.607 179.542 176.870 0.109 0.000 1.074 324 L CA 1.766 56.734 54.840 0.213 0.000 0.745 324 L CB -0.667 41.495 42.059 0.171 0.000 0.898 324 L HN 0.305 nan 8.230 nan 0.000 0.433 325 E N 0.799 121.057 120.200 0.096 0.000 2.086 325 E HA -0.307 4.040 4.350 -0.004 0.000 0.200 325 E C 2.228 178.854 176.600 0.043 0.000 1.012 325 E CA 1.722 58.173 56.400 0.085 0.000 0.812 325 E CB -0.006 29.778 29.700 0.140 0.000 0.743 325 E HN 0.407 nan 8.360 nan 0.000 0.453 326 R N -0.927 119.547 120.500 -0.042 0.000 2.189 326 R HA -0.050 4.287 4.340 -0.004 0.000 0.223 326 R C 2.435 178.619 176.300 -0.193 0.000 1.092 326 R CA 0.913 56.918 56.100 -0.158 0.000 0.989 326 R CB -0.155 29.958 30.300 -0.312 0.000 0.876 326 R HN 0.349 nan 8.270 nan 0.000 0.457 327 H N 0.044 119.049 119.070 -0.109 0.000 2.470 327 H HA 0.048 4.601 4.556 -0.005 0.000 0.289 327 H C 2.019 177.331 175.328 -0.027 0.000 1.033 327 H CA 1.037 57.034 56.048 -0.085 0.000 1.331 327 H CB 0.261 29.953 29.762 -0.117 0.000 1.414 327 H HN 0.171 nan 8.280 nan 0.000 0.545 328 I N -0.337 120.285 120.570 0.087 0.000 2.252 328 I HA -0.254 3.913 4.170 -0.004 0.000 0.245 328 I C 2.466 178.614 176.117 0.052 0.000 1.102 328 I CA 0.635 61.964 61.300 0.048 0.000 1.385 328 I CB -0.139 37.886 38.000 0.041 0.000 1.064 328 I HN 0.189 nan 8.210 nan 0.000 0.414 329 C N 0.879 120.251 119.300 0.119 0.000 2.435 329 C HA -0.051 4.407 4.460 -0.004 0.000 0.279 329 C C 2.927 178.084 174.990 0.278 0.000 1.321 329 C CA 0.980 60.167 59.018 0.281 0.000 1.752 329 C CB -1.612 26.340 27.740 0.353 0.000 1.959 329 C HN 0.665 nan 8.230 nan 0.000 0.500 330 G N 0.072 108.958 108.800 0.144 0.000 2.402 330 G HA2 -0.154 3.803 3.960 -0.004 0.000 0.216 330 G HA3 -0.154 3.803 3.960 -0.004 0.000 0.216 330 G C 1.838 176.801 174.900 0.105 0.000 1.162 330 G CA 0.284 45.471 45.100 0.144 0.000 0.777 330 G HN 0.438 nan 8.290 nan 0.000 0.539 331 R N -0.174 120.357 120.500 0.051 0.000 2.115 331 R HA 0.148 4.486 4.340 -0.004 0.000 0.230 331 R C 2.514 178.753 176.300 -0.103 0.000 1.111 331 R CA 0.466 56.564 56.100 -0.002 0.000 0.976 331 R CB -0.465 29.832 30.300 -0.005 0.000 0.870 331 R HN 0.382 nan 8.270 nan 0.000 0.445 332 L N -1.112 119.967 121.223 -0.240 0.000 2.162 332 L HA 0.019 4.357 4.340 -0.004 0.000 0.205 332 L C 1.010 177.451 176.870 -0.714 0.000 1.086 332 L CA 0.907 55.389 54.840 -0.596 0.000 0.778 332 L CB 0.026 41.469 42.059 -1.028 0.000 0.928 332 L HN 0.040 nan 8.230 nan 0.000 0.446 333 F N -0.634 119.332 119.950 0.027 0.000 2.746 333 F HA 0.496 5.020 4.527 -0.005 0.000 0.320 333 F C 0.920 176.728 175.800 0.012 0.000 1.097 333 F CA -0.214 57.749 58.000 -0.062 0.000 1.195 333 F CB 0.367 39.185 39.000 -0.304 0.000 1.056 333 F HN -0.031 nan 8.300 nan 0.000 0.562 334 G N 0.910 109.832 108.800 0.203 0.000 2.617 334 G HA2 -0.141 3.816 3.960 -0.004 0.000 0.686 334 G HA3 -0.141 3.816 3.960 -0.004 0.000 0.686 334 G C 0.109 175.152 174.900 0.237 0.000 1.214 334 G CA -0.362 44.849 45.100 0.185 0.000 0.796 334 G HN 0.070 nan 8.290 nan 0.000 0.654 335 E N 0.341 120.662 120.200 0.202 0.000 2.153 335 E HA -0.040 4.308 4.350 -0.004 0.000 0.194 335 E C 2.280 179.071 176.600 0.319 0.000 0.988 335 E CA 2.068 58.614 56.400 0.244 0.000 0.811 335 E CB -0.091 29.746 29.700 0.228 0.000 0.746 335 E HN 0.602 nan 8.360 nan 0.000 0.466 336 K N -0.847 119.710 120.400 0.263 0.000 2.209 336 K HA -0.116 4.202 4.320 -0.004 0.000 0.204 336 K C 1.799 178.607 176.600 0.347 0.000 1.048 336 K CA 0.971 57.419 56.287 0.269 0.000 0.940 336 K CB -0.223 32.384 32.500 0.179 0.000 0.729 336 K HN 0.168 nan 8.250 nan 0.000 0.451 337 F N 1.906 121.949 119.950 0.156 0.000 2.163 337 F HA -0.042 4.483 4.527 -0.004 0.000 0.297 337 F C 2.358 178.268 175.800 0.183 0.000 1.094 337 F CA 1.014 59.094 58.000 0.134 0.000 1.290 337 F CB -0.126 38.920 39.000 0.076 0.000 1.017 337 F HN -0.176 nan 8.300 nan 0.000 0.483 338 R N -0.753 119.813 120.500 0.109 0.000 2.091 338 R HA -0.197 4.140 4.340 -0.004 0.000 0.238 338 R C 2.384 178.598 176.300 -0.144 0.000 1.136 338 R CA 1.902 57.938 56.100 -0.107 0.000 0.959 338 R CB -0.610 29.625 30.300 -0.109 0.000 0.856 338 R HN 0.388 nan 8.270 nan 0.000 0.437 339 H N -1.086 118.019 119.070 0.058 0.000 2.423 339 H HA -0.140 4.413 4.556 -0.004 0.000 0.297 339 H C 1.841 177.238 175.328 0.115 0.000 1.075 339 H CA 1.568 57.701 56.048 0.142 0.000 1.342 339 H CB -0.152 29.750 29.762 0.234 0.000 1.395 339 H HN 0.248 nan 8.280 nan 0.000 0.530 340 F N 2.137 122.121 119.950 0.056 0.000 2.075 340 F HA -0.187 4.338 4.527 -0.004 0.000 0.297 340 F C 1.979 177.687 175.800 -0.154 0.000 1.113 340 F CA 1.595 59.581 58.000 -0.022 0.000 1.218 340 F CB -0.436 38.554 39.000 -0.017 0.000 0.984 340 F HN 0.027 nan 8.300 nan 0.000 0.472 341 N N 0.088 118.609 118.700 -0.297 0.000 2.166 341 N HA -0.146 4.591 4.740 -0.004 0.000 0.186 341 N C 1.978 177.241 175.510 -0.412 0.000 1.019 341 N CA 0.949 53.743 53.050 -0.426 0.000 0.856 341 N CB -0.357 37.849 38.487 -0.469 0.000 0.993 341 N HN 0.401 nan 8.380 nan 0.000 0.426 342 A N 0.921 123.528 122.820 -0.355 0.000 1.933 342 A HA -0.091 4.227 4.320 -0.004 0.000 0.218 342 A C 2.070 179.570 177.584 -0.139 0.000 1.175 342 A CA 0.953 52.817 52.037 -0.288 0.000 0.628 342 A CB -0.523 18.352 19.000 -0.208 0.000 0.814 342 A HN 0.242 nan 8.150 nan 0.000 0.444 343 L N -0.076 120.992 121.223 -0.258 0.000 2.217 343 L HA 0.087 4.424 4.340 -0.004 0.000 0.211 343 L C 2.269 178.945 176.870 -0.324 0.000 1.107 343 L CA 1.873 56.405 54.840 -0.514 0.000 0.783 343 L CB -0.823 40.992 42.059 -0.408 0.000 0.919 343 L HN 0.281 nan 8.230 nan 0.000 0.442 344 G N -1.149 107.430 108.800 -0.368 0.000 2.421 344 G HA2 -0.146 3.811 3.960 -0.004 0.000 0.217 344 G HA3 -0.146 3.811 3.960 -0.004 0.000 0.217 344 G C 1.507 176.301 174.900 -0.177 0.000 1.143 344 G CA 0.445 45.361 45.100 -0.306 0.000 0.784 344 G HN 0.543 nan 8.290 nan 0.000 0.541 345 G N -0.064 108.632 108.800 -0.173 0.000 2.432 345 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.219 345 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.219 345 G C 1.556 176.478 174.900 0.037 0.000 1.135 345 G CA 0.779 45.824 45.100 -0.091 0.000 0.767 345 G HN 0.430 nan 8.290 nan 0.000 0.550 346 W N 1.924 123.160 121.300 -0.107 0.000 2.388 346 W HA -0.012 4.646 4.660 -0.003 0.000 0.294 346 W C 2.128 178.607 176.519 -0.068 0.000 1.212 346 W CA 1.196 58.512 57.345 -0.049 0.000 1.271 346 W CB -0.298 29.071 29.460 -0.152 0.000 1.126 346 W HN 0.213 nan 8.180 nan 0.000 0.535 347 G N 0.462 109.266 108.800 0.007 0.000 2.408 347 G HA2 -0.336 3.621 3.960 -0.004 0.000 0.217 347 G HA3 -0.336 3.621 3.960 -0.004 0.000 0.217 347 G C 1.242 176.066 174.900 -0.126 0.000 1.150 347 G CA 1.188 46.251 45.100 -0.061 0.000 0.776 347 G HN 0.287 nan 8.290 nan 0.000 0.542 348 E N 0.006 120.139 120.200 -0.112 0.000 2.268 348 E HA -0.031 4.316 4.350 -0.004 0.000 0.195 348 E C 2.197 178.722 176.600 -0.126 0.000 0.995 348 E CA 0.350 56.688 56.400 -0.103 0.000 0.836 348 E CB -0.269 29.380 29.700 -0.085 0.000 0.763 348 E HN 0.328 nan 8.360 nan 0.000 0.491 349 L N 0.289 121.394 121.223 -0.197 0.000 2.131 349 L HA -0.019 4.319 4.340 -0.004 0.000 0.206 349 L C 2.046 178.739 176.870 -0.295 0.000 1.087 349 L CA 1.638 56.329 54.840 -0.248 0.000 0.767 349 L CB -0.461 41.359 42.059 -0.398 0.000 0.917 349 L HN 0.108 nan 8.230 nan 0.000 0.441 350 Q N -0.458 119.116 119.800 -0.377 0.000 2.050 350 Q HA -0.208 4.129 4.340 -0.004 0.000 0.202 350 Q C 1.945 177.851 176.000 -0.155 0.000 0.980 350 Q CA 1.871 57.509 55.803 -0.275 0.000 0.840 350 Q CB -0.178 28.427 28.738 -0.222 0.000 0.898 350 Q HN 0.555 nan 8.270 nan 0.000 0.424 351 N N 0.066 118.686 118.700 -0.133 0.000 2.043 351 N HA -0.121 4.616 4.740 -0.004 0.000 0.193 351 N C 1.855 177.301 175.510 -0.107 0.000 1.037 351 N CA 1.598 54.584 53.050 -0.107 0.000 0.851 351 N CB -0.547 37.883 38.487 -0.095 0.000 1.027 351 N HN 0.039 nan 8.380 nan 0.000 0.422 352 S N 0.150 115.796 115.700 -0.090 0.000 2.383 352 S HA -0.054 4.414 4.470 -0.004 0.000 0.229 352 S C 2.134 176.753 174.600 0.032 0.000 1.030 352 S CA 0.721 58.891 58.200 -0.050 0.000 1.002 352 S CB -0.292 62.930 63.200 0.037 0.000 0.829 352 S HN 0.103 nan 8.310 nan 0.000 0.467 353 V N 1.645 121.562 119.914 0.006 0.000 2.667 353 V HA -0.101 4.016 4.120 -0.004 0.000 0.252 353 V C 2.298 178.398 176.094 0.010 0.000 1.065 353 V CA 1.506 63.827 62.300 0.036 0.000 1.083 353 V CB -0.457 31.338 31.823 -0.047 0.000 0.692 353 V HN 0.421 nan 8.190 nan 0.000 0.468 354 K N -0.080 120.292 120.400 -0.046 0.000 2.062 354 K HA -0.132 4.185 4.320 -0.004 0.000 0.205 354 K C 2.120 178.674 176.600 -0.076 0.000 1.051 354 K CA 1.682 57.936 56.287 -0.055 0.000 0.941 354 K CB -0.164 32.294 32.500 -0.070 0.000 0.719 354 K HN 0.432 nan 8.250 nan 0.000 0.440 355 T N 0.247 114.715 114.554 -0.143 0.000 2.904 355 T HA -0.045 4.302 4.350 -0.004 0.000 0.267 355 T C 1.189 175.713 174.700 -0.294 0.000 1.059 355 T CA 1.010 62.958 62.100 -0.253 0.000 1.137 355 T CB -0.141 68.489 68.868 -0.397 0.000 0.879 355 T HN 0.119 nan 8.240 nan 0.000 0.467 356 F N 1.041 120.910 119.950 -0.135 0.000 2.387 356 F HA 0.412 4.937 4.527 -0.004 0.000 0.294 356 F C 1.643 177.353 175.800 -0.151 0.000 1.093 356 F CA 0.286 58.129 58.000 -0.262 0.000 1.420 356 F CB -0.157 38.664 39.000 -0.298 0.000 1.086 356 F HN 0.275 nan 8.300 nan 0.000 0.531 357 G N 0.707 109.581 108.800 0.123 0.000 3.055 357 G HA2 -0.116 3.841 3.960 -0.004 0.000 0.685 357 G HA3 -0.116 3.841 3.960 -0.004 0.000 0.685 357 G C 0.431 175.393 174.900 0.103 0.000 1.212 357 G CA -0.260 44.897 45.100 0.095 0.000 0.822 357 G HN 0.384 nan 8.290 nan 0.000 0.610 358 E N -0.051 120.179 120.200 0.050 0.000 2.510 358 E HA -0.092 4.256 4.350 -0.004 0.000 0.202 358 E C 1.519 178.134 176.600 0.025 0.000 1.072 358 E CA 1.546 57.963 56.400 0.028 0.000 0.883 358 E CB -0.121 29.579 29.700 0.000 0.000 0.818 358 E HN 0.908 nan 8.360 nan 0.000 0.548 359 T N -3.173 111.405 114.554 0.039 0.000 3.091 359 T HA 0.072 4.420 4.350 -0.004 0.000 0.277 359 T C 0.047 174.746 174.700 -0.003 0.000 0.996 359 T CA -0.537 61.569 62.100 0.009 0.000 0.897 359 T CB -0.339 68.525 68.868 -0.007 0.000 1.109 359 T HN 0.225 nan 8.240 nan 0.000 0.534 360 H N 2.772 121.807 119.070 -0.058 0.000 2.848 360 H HA 0.236 4.792 4.556 0.002 0.000 0.341 360 H C -1.727 173.504 175.328 -0.161 0.000 1.060 360 H CA -1.176 54.791 56.048 -0.135 0.000 1.444 360 H CB 1.195 30.890 29.762 -0.113 0.000 1.446 360 H HN -0.090 nan 8.280 nan 0.000 0.583 361 P HA -0.182 nan 4.420 nan 0.000 0.219 361 P C 0.549 177.900 177.300 0.086 0.000 1.146 361 P CA 1.072 64.049 63.100 -0.205 0.000 0.808 361 P CB 0.145 31.659 31.700 -0.310 0.000 0.779 362 F N -0.817 119.118 119.950 -0.025 0.000 2.802 362 F HA 0.030 4.557 4.527 0.001 0.000 0.300 362 F C 1.729 177.390 175.800 -0.231 0.000 1.168 362 F CA 0.812 58.694 58.000 -0.197 0.000 1.433 362 F CB -1.897 36.746 39.000 -0.595 0.000 1.115 362 F HN 0.041 nan 8.300 nan 0.000 0.582 363 T N -3.232 111.360 114.554 0.065 0.000 3.145 363 T HA 0.160 4.507 4.350 -0.004 0.000 0.255 363 T C 0.538 175.256 174.700 0.029 0.000 1.039 363 T CA -0.313 61.811 62.100 0.041 0.000 0.928 363 T CB -0.202 68.701 68.868 0.058 0.000 1.029 363 T HN -0.025 nan 8.240 nan 0.000 0.554 364 K N 0.673 121.102 120.400 0.048 0.000 2.143 364 K HA 0.409 4.727 4.320 -0.004 0.000 0.272 364 K C 0.603 177.217 176.600 0.023 0.000 1.001 364 K CA -0.734 55.574 56.287 0.036 0.000 0.915 364 K CB 1.706 34.253 32.500 0.078 0.000 1.047 364 K HN -0.081 nan 8.250 nan 0.000 0.458 365 L N 2.995 124.189 121.223 -0.048 0.000 1.994 365 L HA -0.080 4.258 4.340 -0.004 0.000 0.208 365 L C 0.361 177.205 176.870 -0.044 0.000 1.071 365 L CA 1.747 56.507 54.840 -0.134 0.000 0.745 365 L CB 0.329 42.163 42.059 -0.375 0.000 0.892 365 L HN 0.338 nan 8.230 nan 0.000 0.431 366 V N 1.976 121.885 119.914 -0.008 0.000 2.304 366 V HA 0.295 4.413 4.120 -0.004 0.000 0.269 366 V C 0.064 176.254 176.094 0.160 0.000 1.036 366 V CA -0.591 61.795 62.300 0.143 0.000 0.840 366 V CB 0.670 32.640 31.823 0.246 0.000 1.036 366 V HN 0.138 nan 8.190 nan 0.000 0.466 367 V N 1.536 121.523 119.914 0.122 0.000 2.997 367 V HA 0.649 4.766 4.120 -0.004 0.000 0.311 367 V C -0.135 176.009 176.094 0.083 0.000 1.066 367 V CA -0.646 61.721 62.300 0.111 0.000 1.039 367 V CB 1.917 33.796 31.823 0.094 0.000 1.081 367 V HN 0.758 nan 8.190 nan 0.000 0.467 368 D N 1.465 121.919 120.400 0.090 0.000 2.477 368 D HA 0.339 4.976 4.640 -0.004 0.000 0.239 368 D C 0.518 176.866 176.300 0.079 0.000 1.102 368 D CA -0.264 53.780 54.000 0.074 0.000 0.901 368 D CB 0.400 41.240 40.800 0.067 0.000 1.026 368 D HN 0.598 nan 8.370 nan 0.000 0.515 369 L N 2.639 123.903 121.223 0.068 0.000 2.762 369 L HA 0.101 4.438 4.340 -0.004 0.000 0.250 369 L C 0.548 177.476 176.870 0.097 0.000 1.160 369 L CA 0.182 55.059 54.840 0.061 0.000 0.951 369 L CB -0.769 41.318 42.059 0.047 0.000 1.148 369 L HN 0.330 nan 8.230 nan 0.000 0.424 370 T N 0.709 115.321 114.554 0.097 0.000 2.751 370 T HA 0.051 4.398 4.350 -0.004 0.000 0.290 370 T C 0.340 175.115 174.700 0.126 0.000 0.919 370 T CA -0.073 62.090 62.100 0.106 0.000 1.136 370 T CB 0.307 69.222 68.868 0.077 0.000 0.875 370 T HN 0.325 nan 8.240 nan 0.000 0.532 371 D N 1.072 121.584 120.400 0.186 0.000 3.090 371 D HA -0.128 4.509 4.640 -0.004 0.000 0.215 371 D C -0.433 175.992 176.300 0.208 0.000 1.140 371 D CA 0.682 54.818 54.000 0.228 0.000 0.937 371 D CB -0.931 39.951 40.800 0.138 0.000 1.108 371 D HN 0.397 nan 8.370 nan 0.000 0.420 372 I N 1.064 121.706 120.570 0.120 0.000 2.410 372 I HA 0.174 4.341 4.170 -0.004 0.000 0.286 372 I C 0.452 176.316 176.117 -0.423 0.000 1.009 372 I CA -0.875 60.391 61.300 -0.057 0.000 1.111 372 I CB 1.590 39.599 38.000 0.015 0.000 1.262 372 I HN -0.147 nan 8.210 nan 0.000 0.443 373 D N 9.098 129.033 120.400 -0.774 0.000 2.434 373 D HA 0.058 4.695 4.640 -0.004 0.000 0.252 373 D C -1.685 174.271 176.300 -0.573 0.000 1.185 373 D CA -1.247 52.079 54.000 -1.124 0.000 0.886 373 D CB 1.806 42.141 40.800 -0.775 0.000 1.148 373 D HN 0.208 nan 8.370 nan 0.000 0.483 374 P HA -0.130 nan 4.420 nan 0.000 0.217 374 P C 0.678 177.743 177.300 -0.392 0.000 1.148 374 P CA 0.862 63.681 63.100 -0.468 0.000 0.828 374 P CB 0.306 31.637 31.700 -0.615 0.000 0.783 375 D N -1.222 118.980 120.400 -0.329 0.000 2.178 375 D HA -0.097 4.540 4.640 -0.004 0.000 0.201 375 D C 1.891 178.131 176.300 -0.098 0.000 0.980 375 D CA 0.934 54.823 54.000 -0.184 0.000 0.842 375 D CB -0.562 40.181 40.800 -0.094 0.000 0.948 375 D HN 0.046 nan 8.370 nan 0.000 0.472 376 V N 0.847 120.672 119.914 -0.149 0.000 2.488 376 V HA -0.086 4.031 4.120 -0.004 0.000 0.246 376 V C 2.369 178.382 176.094 -0.136 0.000 1.046 376 V CA 1.523 63.781 62.300 -0.069 0.000 1.053 376 V CB -0.405 31.390 31.823 -0.046 0.000 0.679 376 V HN 0.171 nan 8.190 nan 0.000 0.458 377 A N -1.327 121.245 122.820 -0.413 0.000 2.016 377 A HA -0.034 4.284 4.320 -0.004 0.000 0.217 377 A C 1.170 178.527 177.584 -0.379 0.000 1.162 377 A CA 0.097 51.611 52.037 -0.871 0.000 0.662 377 A CB -0.481 17.895 19.000 -1.040 0.000 0.812 377 A HN 0.511 nan 8.150 nan 0.000 0.450 378 Y N 2.197 122.329 120.300 -0.281 0.000 2.987 378 Y HA 0.175 4.721 4.550 -0.006 0.000 0.339 378 Y C 0.786 176.732 175.900 0.077 0.000 1.272 378 Y CA 0.672 58.710 58.100 -0.104 0.000 1.562 378 Y CB 0.281 38.686 38.460 -0.093 0.000 1.253 378 Y HN 0.491 nan 8.280 nan 0.000 0.604 379 S N 1.030 116.497 115.700 -0.387 0.000 2.714 379 S HA 0.281 4.748 4.470 -0.004 0.000 0.280 379 S C 0.045 174.557 174.600 -0.147 0.000 1.200 379 S CA -0.316 57.774 58.200 -0.184 0.000 0.900 379 S CB 0.763 64.104 63.200 0.235 0.000 1.235 379 S HN 0.406 nan 8.310 nan 0.000 0.512 380 S N 0.237 115.932 115.700 -0.008 0.000 2.528 380 S HA 0.120 4.588 4.470 -0.004 0.000 0.219 380 S C 1.770 176.497 174.600 0.211 0.000 0.985 380 S CA 0.598 58.829 58.200 0.053 0.000 0.914 380 S CB -0.404 62.772 63.200 -0.041 0.000 0.776 380 S HN 0.526 nan 8.310 nan 0.000 0.526 381 V N 3.661 123.683 119.914 0.181 0.000 2.219 381 V HA -0.156 3.962 4.120 -0.004 0.000 0.248 381 V C -0.360 175.846 176.094 0.188 0.000 1.053 381 V CA 1.906 64.299 62.300 0.155 0.000 1.009 381 V CB -1.805 30.087 31.823 0.115 0.000 0.636 381 V HN 0.344 nan 8.190 nan 0.000 0.445 382 P HA -0.193 nan 4.420 nan 0.000 0.218 382 P C 1.190 178.542 177.300 0.087 0.000 1.146 382 P CA 1.859 65.058 63.100 0.165 0.000 0.813 382 P CB -0.113 31.712 31.700 0.208 0.000 0.778 383 Y N 0.769 121.155 120.300 0.145 0.000 2.130 383 Y HA -0.077 4.470 4.550 -0.005 0.000 0.287 383 Y C 2.734 178.753 175.900 0.199 0.000 1.124 383 Y CA 1.285 59.475 58.100 0.151 0.000 1.118 383 Y CB -1.046 37.467 38.460 0.088 0.000 0.994 383 Y HN -0.109 nan 8.280 nan 0.000 0.497 384 E N 0.195 120.597 120.200 0.337 0.000 2.216 384 E HA -0.108 4.239 4.350 -0.004 0.000 0.192 384 E C 1.870 178.650 176.600 0.299 0.000 0.988 384 E CA 0.690 57.263 56.400 0.289 0.000 0.834 384 E CB -0.128 29.661 29.700 0.148 0.000 0.772 384 E HN 0.405 nan 8.360 nan 0.000 0.479 385 K N 0.383 120.912 120.400 0.214 0.000 2.243 385 K HA -0.001 4.316 4.320 -0.004 0.000 0.201 385 K C 1.962 178.681 176.600 0.198 0.000 1.051 385 K CA 0.889 57.295 56.287 0.200 0.000 0.970 385 K CB 0.002 32.560 32.500 0.096 0.000 0.755 385 K HN 0.102 nan 8.250 nan 0.000 0.465 386 G N 0.581 109.498 108.800 0.196 0.000 2.394 386 G HA2 -0.241 3.716 3.960 -0.004 0.000 0.215 386 G HA3 -0.241 3.716 3.960 -0.004 0.000 0.215 386 G C 1.256 176.292 174.900 0.227 0.000 1.165 386 G CA 0.324 45.548 45.100 0.207 0.000 0.784 386 G HN 0.357 nan 8.290 nan 0.000 0.535 387 F N 2.496 122.563 119.950 0.194 0.000 2.113 387 F HA 0.108 4.632 4.527 -0.005 0.000 0.297 387 F C 2.771 178.723 175.800 0.253 0.000 1.103 387 F CA 1.380 59.512 58.000 0.220 0.000 1.248 387 F CB -0.351 38.780 39.000 0.218 0.000 0.999 387 F HN 0.217 nan 8.300 nan 0.000 0.475 388 A N 0.569 123.568 122.820 0.298 0.000 1.948 388 A HA -0.218 4.099 4.320 -0.004 0.000 0.220 388 A C 2.127 179.753 177.584 0.071 0.000 1.177 388 A CA 1.919 54.161 52.037 0.343 0.000 0.636 388 A CB -1.343 18.063 19.000 0.676 0.000 0.815 388 A HN 0.554 nan 8.150 nan 0.000 0.449 389 L N -0.391 120.777 121.223 -0.092 0.000 2.093 389 L HA -0.054 4.283 4.340 -0.004 0.000 0.208 389 L C 2.157 178.806 176.870 -0.369 0.000 1.085 389 L CA 1.652 56.180 54.840 -0.519 0.000 0.755 389 L CB -0.479 41.286 42.059 -0.491 0.000 0.904 389 L HN 0.395 nan 8.230 nan 0.000 0.435 390 L N -1.945 119.100 121.223 -0.295 0.000 2.156 390 L HA -0.140 4.197 4.340 -0.004 0.000 0.208 390 L C 2.381 178.850 176.870 -0.668 0.000 1.095 390 L CA 0.831 55.412 54.840 -0.432 0.000 0.770 390 L CB -0.675 41.133 42.059 -0.419 0.000 0.914 390 L HN 0.263 nan 8.230 nan 0.000 0.439 391 F N 0.047 119.580 119.950 -0.694 0.000 2.206 391 F HA -0.239 4.285 4.527 -0.005 0.000 0.298 391 F C 2.536 178.075 175.800 -0.435 0.000 1.090 391 F CA 1.049 58.718 58.000 -0.553 0.000 1.323 391 F CB -0.507 38.106 39.000 -0.644 0.000 1.028 391 F HN 0.045 nan 8.300 nan 0.000 0.492 392 Y N 0.561 120.568 120.300 -0.489 0.000 2.224 392 Y HA -0.160 4.388 4.550 -0.004 0.000 0.289 392 Y C 1.948 177.503 175.900 -0.575 0.000 1.146 392 Y CA 1.727 59.515 58.100 -0.520 0.000 1.182 392 Y CB -0.728 37.474 38.460 -0.429 0.000 0.983 392 Y HN 0.105 nan 8.280 nan 0.000 0.524 393 L N 0.193 120.898 121.223 -0.864 0.000 2.056 393 L HA -0.167 4.170 4.340 -0.004 0.000 0.207 393 L C 2.616 178.923 176.870 -0.939 0.000 1.078 393 L CA 1.791 56.081 54.840 -0.918 0.000 0.749 393 L CB -0.672 41.002 42.059 -0.642 0.000 0.901 393 L HN 0.293 nan 8.230 nan 0.000 0.433 394 E N 0.375 119.900 120.200 -1.126 0.000 2.038 394 E HA -0.289 4.058 4.350 -0.004 0.000 0.195 394 E C 2.126 178.432 176.600 -0.489 0.000 1.000 394 E CA 1.646 57.547 56.400 -0.832 0.000 0.803 394 E CB -0.017 29.372 29.700 -0.517 0.000 0.750 394 E HN 0.549 nan 8.360 nan 0.000 0.448 395 Q N -0.088 119.374 119.800 -0.563 0.000 2.124 395 Q HA -0.168 4.170 4.340 -0.004 0.000 0.202 395 Q C 2.337 178.099 176.000 -0.396 0.000 0.977 395 Q CA 0.996 56.530 55.803 -0.448 0.000 0.850 395 Q CB -0.098 28.327 28.738 -0.522 0.000 0.901 395 Q HN 0.261 nan 8.270 nan 0.000 0.429 396 L N 0.196 121.101 121.223 -0.529 0.000 2.156 396 L HA -0.079 4.258 4.340 -0.004 0.000 0.208 396 L C 1.617 178.243 176.870 -0.406 0.000 1.095 396 L CA 1.448 55.990 54.840 -0.497 0.000 0.770 396 L CB 0.031 41.648 42.059 -0.736 0.000 0.914 396 L HN 0.152 nan 8.230 nan 0.000 0.439 397 L N -1.290 119.674 121.223 -0.431 0.000 2.653 397 L HA 0.325 4.662 4.340 -0.004 0.000 0.231 397 L C 1.240 177.991 176.870 -0.197 0.000 1.153 397 L CA 0.556 55.159 54.840 -0.395 0.000 0.933 397 L CB -0.183 41.482 42.059 -0.656 0.000 1.175 397 L HN 0.432 nan 8.230 nan 0.000 0.473 398 G N -0.997 107.713 108.800 -0.151 0.000 2.192 398 G HA2 0.023 3.981 3.960 -0.004 0.000 0.193 398 G HA3 0.023 3.981 3.960 -0.004 0.000 0.193 398 G C 0.452 175.349 174.900 -0.005 0.000 0.999 398 G CA -0.359 44.706 45.100 -0.058 0.000 0.659 398 G HN 0.774 nan 8.290 nan 0.000 0.503 399 G N -0.846 107.951 108.800 -0.005 0.000 2.459 399 G HA2 0.459 4.417 3.960 -0.004 0.000 0.685 399 G HA3 0.459 4.417 3.960 -0.004 0.000 0.685 399 G C -1.083 173.922 174.900 0.175 0.000 1.303 399 G CA 0.220 45.359 45.100 0.064 0.000 0.907 399 G HN 0.565 nan 8.290 nan 0.000 0.632 400 P HA -0.133 nan 4.420 nan 0.000 0.216 400 P C 1.223 178.689 177.300 0.276 0.000 1.150 400 P CA 1.917 65.231 63.100 0.357 0.000 0.843 400 P CB 0.103 32.053 31.700 0.417 0.000 0.787 401 E N -0.461 119.860 120.200 0.201 0.000 2.150 401 E HA -0.083 4.264 4.350 -0.004 0.000 0.193 401 E C 2.231 178.943 176.600 0.187 0.000 0.985 401 E CA 0.783 57.276 56.400 0.155 0.000 0.814 401 E CB -0.368 29.404 29.700 0.118 0.000 0.752 401 E HN 0.345 nan 8.360 nan 0.000 0.466 402 I N -0.126 120.587 120.570 0.237 0.000 2.480 402 I HA -0.154 4.013 4.170 -0.004 0.000 0.251 402 I C 2.027 178.400 176.117 0.428 0.000 1.124 402 I CA 0.493 61.974 61.300 0.302 0.000 1.444 402 I CB -0.037 38.139 38.000 0.294 0.000 1.098 402 I HN 0.012 nan 8.210 nan 0.000 0.428 403 F N 1.291 121.409 119.950 0.280 0.000 2.325 403 F HA -0.042 4.482 4.527 -0.005 0.000 0.299 403 F C 2.095 178.088 175.800 0.322 0.000 1.090 403 F CA 1.269 59.474 58.000 0.342 0.000 1.392 403 F CB -0.047 39.098 39.000 0.242 0.000 1.053 403 F HN -0.099 nan 8.300 nan 0.000 0.521 404 L N -0.982 120.419 121.223 0.297 0.000 2.376 404 L HA -0.058 4.279 4.340 -0.004 0.000 0.219 404 L C 2.534 179.428 176.870 0.041 0.000 1.133 404 L CA 0.953 55.867 54.840 0.124 0.000 0.816 404 L CB -1.126 40.934 42.059 0.001 0.000 0.933 404 L HN 0.252 nan 8.230 nan 0.000 0.449 405 G N -0.291 108.559 108.800 0.083 0.000 2.408 405 G HA2 -0.281 3.676 3.960 -0.004 0.000 0.215 405 G HA3 -0.281 3.676 3.960 -0.004 0.000 0.215 405 G C 1.419 176.239 174.900 -0.132 0.000 1.156 405 G CA 0.149 45.283 45.100 0.056 0.000 0.793 405 G HN 0.328 nan 8.290 nan 0.000 0.535 406 F N 1.054 120.704 119.950 -0.500 0.000 2.146 406 F HA 0.145 4.669 4.527 -0.005 0.000 0.298 406 F C 2.172 177.647 175.800 -0.542 0.000 1.096 406 F CA 0.959 58.235 58.000 -1.207 0.000 1.275 406 F CB -0.293 38.025 39.000 -1.137 0.000 1.008 406 F HN 0.079 nan 8.300 nan 0.000 0.480 407 L N 0.755 121.673 121.223 -0.509 0.000 2.017 407 L HA -0.235 4.103 4.340 -0.004 0.000 0.208 407 L C 2.694 179.453 176.870 -0.185 0.000 1.073 407 L CA 2.047 56.692 54.840 -0.325 0.000 0.745 407 L CB -0.616 41.450 42.059 0.012 0.000 0.894 407 L HN 0.227 nan 8.230 nan 0.000 0.432 408 K N -0.414 119.892 120.400 -0.156 0.000 2.097 408 K HA -0.191 4.126 4.320 -0.004 0.000 0.206 408 K C 1.914 178.432 176.600 -0.137 0.000 1.049 408 K CA 1.291 57.508 56.287 -0.117 0.000 0.933 408 K CB -0.134 32.316 32.500 -0.084 0.000 0.717 408 K HN 0.411 nan 8.250 nan 0.000 0.442 409 A N 0.379 123.092 122.820 -0.179 0.000 1.930 409 A HA -0.174 4.144 4.320 -0.004 0.000 0.217 409 A C 2.019 179.477 177.584 -0.210 0.000 1.175 409 A CA 1.275 53.248 52.037 -0.107 0.000 0.627 409 A CB -0.839 18.166 19.000 0.008 0.000 0.815 409 A HN 0.610 nan 8.150 nan 0.000 0.443 410 Y N 0.787 120.808 120.300 -0.464 0.000 2.128 410 Y HA -0.193 4.354 4.550 -0.005 0.000 0.284 410 Y C 2.203 177.875 175.900 -0.380 0.000 1.154 410 Y CA 1.967 59.728 58.100 -0.565 0.000 1.149 410 Y CB -0.533 37.533 38.460 -0.657 0.000 0.976 410 Y HN 0.051 nan 8.280 nan 0.000 0.505 411 V N 1.051 120.731 119.914 -0.390 0.000 2.307 411 V HA -0.282 3.836 4.120 -0.004 0.000 0.245 411 V C 2.213 178.113 176.094 -0.322 0.000 1.045 411 V CA 2.312 64.396 62.300 -0.361 0.000 1.024 411 V CB -0.650 31.126 31.823 -0.079 0.000 0.651 411 V HN 0.453 nan 8.190 nan 0.000 0.449 412 E N 0.249 120.293 120.200 -0.259 0.000 2.031 412 E HA -0.300 4.047 4.350 -0.004 0.000 0.193 412 E C 2.201 178.601 176.600 -0.334 0.000 0.994 412 E CA 1.548 57.813 56.400 -0.224 0.000 0.800 412 E CB -0.234 29.377 29.700 -0.148 0.000 0.752 412 E HN 0.435 nan 8.360 nan 0.000 0.447 413 K N 0.882 120.967 120.400 -0.525 0.000 2.020 413 K HA -0.161 4.157 4.320 -0.004 0.000 0.212 413 K C 1.187 177.282 176.600 -0.841 0.000 1.050 413 K CA 1.482 57.282 56.287 -0.812 0.000 0.929 413 K CB -0.261 31.362 32.500 -1.462 0.000 0.714 413 K HN 0.037 nan 8.250 nan 0.000 0.443 414 F N 1.086 120.736 119.950 -0.499 0.000 2.645 414 F HA 0.346 4.871 4.527 -0.003 0.000 0.300 414 F C 0.190 175.770 175.800 -0.366 0.000 1.115 414 F CA -0.423 57.322 58.000 -0.425 0.000 1.355 414 F CB -0.229 38.450 39.000 -0.534 0.000 1.026 414 F HN -0.233 nan 8.300 nan 0.000 0.536 415 S N 0.124 115.677 115.700 -0.246 0.000 2.546 415 S HA -0.001 4.466 4.470 -0.004 0.000 0.290 415 S C 0.051 174.482 174.600 -0.282 0.000 1.290 415 S CA 0.186 58.133 58.200 -0.422 0.000 1.069 415 S CB -0.363 62.513 63.200 -0.540 0.000 0.846 415 S HN 0.544 nan 8.310 nan 0.000 0.495 416 Y N -0.932 119.315 120.300 -0.089 0.000 4.841 416 Y HA -0.254 4.293 4.550 -0.005 0.000 0.242 416 Y C 0.428 176.295 175.900 -0.054 0.000 1.002 416 Y CA 0.440 58.493 58.100 -0.078 0.000 2.011 416 Y CB -1.678 36.721 38.460 -0.101 0.000 1.554 416 Y HN 0.369 nan 8.280 nan 0.000 0.618 417 K N 0.127 120.543 120.400 0.027 0.000 2.280 417 K HA 0.798 5.115 4.320 -0.004 0.000 0.234 417 K C -0.285 176.286 176.600 -0.049 0.000 1.028 417 K CA -0.749 55.546 56.287 0.014 0.000 0.882 417 K CB 1.664 34.198 32.500 0.057 0.000 1.194 417 K HN -0.043 nan 8.250 nan 0.000 0.458 418 S N 0.838 116.497 115.700 -0.068 0.000 2.552 418 S HA 0.623 5.090 4.470 -0.004 0.000 0.314 418 S C -0.579 173.921 174.600 -0.166 0.000 1.099 418 S CA -0.877 57.257 58.200 -0.110 0.000 1.070 418 S CB 0.178 63.329 63.200 -0.082 0.000 0.998 418 S HN 0.543 nan 8.310 nan 0.000 0.474 419 I N 0.255 120.679 120.570 -0.243 0.000 3.067 419 I HA 0.854 5.021 4.170 -0.004 0.000 0.312 419 I C -0.112 175.825 176.117 -0.299 0.000 1.073 419 I CA -0.857 60.255 61.300 -0.315 0.000 1.016 419 I CB 2.230 39.901 38.000 -0.550 0.000 1.227 419 I HN 0.562 nan 8.210 nan 0.000 0.456 420 T N -1.360 112.998 114.554 -0.326 0.000 2.949 420 T HA 0.346 4.693 4.350 -0.004 0.000 0.287 420 T C 0.836 175.334 174.700 -0.338 0.000 1.034 420 T CA -0.244 61.536 62.100 -0.533 0.000 1.018 420 T CB 1.482 70.073 68.868 -0.460 0.000 1.135 420 T HN 0.696 nan 8.240 nan 0.000 0.532 421 T N 1.082 115.417 114.554 -0.365 0.000 2.699 421 T HA -0.131 4.217 4.350 -0.004 0.000 0.268 421 T C 1.358 176.231 174.700 0.289 0.000 1.036 421 T CA 1.798 64.027 62.100 0.214 0.000 1.147 421 T CB -0.604 68.615 68.868 0.585 0.000 0.862 421 T HN 0.679 nan 8.240 nan 0.000 0.446 422 D N 1.124 121.612 120.400 0.147 0.000 2.182 422 D HA -0.088 4.549 4.640 -0.004 0.000 0.201 422 D C 2.007 178.376 176.300 0.115 0.000 0.986 422 D CA 0.851 54.929 54.000 0.131 0.000 0.847 422 D CB -0.359 40.490 40.800 0.082 0.000 0.942 422 D HN 0.390 nan 8.370 nan 0.000 0.467 423 D N -0.549 119.890 120.400 0.065 0.000 2.117 423 D HA -0.140 4.498 4.640 -0.004 0.000 0.198 423 D C 1.936 178.356 176.300 0.201 0.000 0.982 423 D CA 0.530 54.564 54.000 0.057 0.000 0.828 423 D CB -0.299 40.396 40.800 -0.175 0.000 0.967 423 D HN 0.331 nan 8.370 nan 0.000 0.464 424 W N 2.514 123.830 121.300 0.026 0.000 2.354 424 W HA -0.151 4.507 4.660 -0.004 0.000 0.315 424 W C 2.307 179.006 176.519 0.300 0.000 1.206 424 W CA 1.499 58.960 57.345 0.193 0.000 1.290 424 W CB -0.212 29.317 29.460 0.115 0.000 1.152 424 W HN -0.204 nan 8.180 nan 0.000 0.489 425 K N 0.026 120.564 120.400 0.230 0.000 2.280 425 K HA -0.192 4.125 4.320 -0.004 0.000 0.202 425 K C 1.411 177.970 176.600 -0.068 0.000 1.047 425 K CA 1.822 58.018 56.287 -0.152 0.000 0.942 425 K CB -0.330 32.102 32.500 -0.114 0.000 0.739 425 K HN 0.158 nan 8.250 nan 0.000 0.457 426 D N -0.169 120.269 120.400 0.063 0.000 2.162 426 D HA -0.122 4.516 4.640 -0.004 0.000 0.205 426 D C 1.562 177.988 176.300 0.210 0.000 0.964 426 D CA 0.685 54.745 54.000 0.099 0.000 0.847 426 D CB -0.230 40.641 40.800 0.119 0.000 0.988 426 D HN 0.167 nan 8.370 nan 0.000 0.480 427 F N 1.616 121.669 119.950 0.172 0.000 2.186 427 F HA -0.091 4.433 4.527 -0.005 0.000 0.299 427 F C 2.047 177.979 175.800 0.220 0.000 1.090 427 F CA 0.526 58.671 58.000 0.242 0.000 1.307 427 F CB -0.237 39.021 39.000 0.431 0.000 1.019 427 F HN -0.144 nan 8.300 nan 0.000 0.489 428 L N -0.460 120.764 121.223 0.000 0.000 2.012 428 L HA -0.243 4.094 4.340 -0.004 0.000 0.210 428 L C 2.074 178.858 176.870 -0.143 0.000 1.073 428 L CA 1.962 56.639 54.840 -0.272 0.000 0.748 428 L CB -1.243 40.437 42.059 -0.630 0.000 0.891 428 L HN 0.167 nan 8.230 nan 0.000 0.431 429 Y N -1.065 119.139 120.300 -0.160 0.000 2.224 429 Y HA -0.206 4.341 4.550 -0.004 0.000 0.289 429 Y C 3.045 178.893 175.900 -0.088 0.000 1.146 429 Y CA 1.759 59.809 58.100 -0.082 0.000 1.182 429 Y CB -0.662 37.749 38.460 -0.082 0.000 0.983 429 Y HN 0.330 nan 8.280 nan 0.000 0.524 430 S N -1.232 114.471 115.700 0.005 0.000 2.387 430 S HA -0.236 4.231 4.470 -0.004 0.000 0.226 430 S C 1.988 176.445 174.600 -0.239 0.000 1.026 430 S CA 0.988 59.138 58.200 -0.084 0.000 0.972 430 S CB -0.591 62.579 63.200 -0.049 0.000 0.814 430 S HN 0.558 nan 8.310 nan 0.000 0.477 431 Y N 0.471 120.436 120.300 -0.558 0.000 2.263 431 Y HA 0.166 4.714 4.550 -0.004 0.000 0.292 431 Y C 0.547 176.069 175.900 -0.630 0.000 1.130 431 Y CA 1.252 58.937 58.100 -0.691 0.000 1.179 431 Y CB -0.020 37.904 38.460 -0.892 0.000 0.998 431 Y HN 0.305 nan 8.280 nan 0.000 0.532 432 F N 1.481 121.299 119.950 -0.219 0.000 2.925 432 F HA 0.232 4.756 4.527 -0.005 0.000 0.302 432 F C 1.518 177.182 175.800 -0.227 0.000 1.189 432 F CA -0.699 57.157 58.000 -0.240 0.000 1.346 432 F CB -0.280 38.574 39.000 -0.244 0.000 0.954 432 F HN 0.018 nan 8.300 nan 0.000 0.506 433 K N -1.260 119.094 120.400 -0.077 0.000 2.281 433 K HA -0.169 4.148 4.320 -0.004 0.000 0.203 433 K C 0.338 176.918 176.600 -0.034 0.000 1.046 433 K CA 1.751 58.011 56.287 -0.044 0.000 0.938 433 K CB -0.120 32.349 32.500 -0.052 0.000 0.737 433 K HN 0.091 nan 8.250 nan 0.000 0.458 434 D N 1.160 121.536 120.400 -0.041 0.000 2.349 434 D HA 0.028 4.665 4.640 -0.004 0.000 0.224 434 D C 0.204 176.489 176.300 -0.026 0.000 1.029 434 D CA 0.713 54.694 54.000 -0.032 0.000 0.879 434 D CB 0.378 41.154 40.800 -0.040 0.000 0.906 434 D HN 0.334 nan 8.370 nan 0.000 0.528 435 K N 0.068 120.449 120.400 -0.032 0.000 2.860 435 K HA 0.098 4.416 4.320 -0.004 0.000 0.204 435 K C 1.315 177.842 176.600 -0.121 0.000 1.127 435 K CA 0.072 56.312 56.287 -0.078 0.000 1.050 435 K CB 1.523 33.955 32.500 -0.114 0.000 0.745 435 K HN -0.077 nan 8.250 nan 0.000 0.459 436 V N -2.118 117.746 119.914 -0.083 0.000 2.594 436 V HA -0.216 3.901 4.120 -0.004 0.000 0.253 436 V C 1.547 177.626 176.094 -0.025 0.000 1.069 436 V CA 1.514 63.766 62.300 -0.081 0.000 1.082 436 V CB -0.258 31.587 31.823 0.037 0.000 0.680 436 V HN 0.176 nan 8.190 nan 0.000 0.469 437 D N 1.122 121.510 120.400 -0.020 0.000 2.104 437 D HA -0.137 4.500 4.640 -0.004 0.000 0.194 437 D C 2.310 178.592 176.300 -0.030 0.000 0.994 437 D CA 1.935 55.931 54.000 -0.006 0.000 0.830 437 D CB -0.273 40.519 40.800 -0.015 0.000 0.959 437 D HN 0.471 nan 8.370 nan 0.000 0.452 438 V N 1.266 121.129 119.914 -0.085 0.000 2.261 438 V HA -0.219 3.898 4.120 -0.004 0.000 0.246 438 V C 2.727 178.735 176.094 -0.143 0.000 1.047 438 V CA 1.144 63.364 62.300 -0.134 0.000 1.015 438 V CB -0.544 31.158 31.823 -0.201 0.000 0.642 438 V HN 0.197 nan 8.190 nan 0.000 0.446 439 L N 0.492 121.613 121.223 -0.170 0.000 2.187 439 L HA -0.164 4.174 4.340 -0.004 0.000 0.213 439 L C 2.033 179.001 176.870 0.162 0.000 1.100 439 L CA 1.216 55.981 54.840 -0.125 0.000 0.765 439 L CB -0.572 41.200 42.059 -0.479 0.000 0.904 439 L HN 0.438 nan 8.230 nan 0.000 0.437 440 N N -0.525 118.270 118.700 0.158 0.000 2.461 440 N HA -0.077 4.660 4.740 -0.004 0.000 0.188 440 N C 1.527 177.118 175.510 0.134 0.000 1.134 440 N CA 0.444 53.645 53.050 0.251 0.000 0.878 440 N CB 0.269 38.882 38.487 0.210 0.000 0.972 440 N HN 0.533 nan 8.380 nan 0.000 0.456 441 Q N 0.070 119.894 119.800 0.039 0.000 2.165 441 Q HA 0.044 4.382 4.340 -0.004 0.000 0.197 441 Q C 0.777 176.770 176.000 -0.011 0.000 0.952 441 Q CA 0.178 55.987 55.803 0.010 0.000 0.848 441 Q CB 0.308 29.033 28.738 -0.020 0.000 0.931 441 Q HN 0.173 nan 8.270 nan 0.000 0.470 442 V N 2.042 121.883 119.914 -0.123 0.000 2.673 442 V HA -0.043 4.075 4.120 -0.004 0.000 0.303 442 V C -0.054 175.892 176.094 -0.247 0.000 1.046 442 V CA 0.070 62.239 62.300 -0.218 0.000 1.126 442 V CB 0.971 32.400 31.823 -0.655 0.000 0.934 442 V HN 0.163 nan 8.190 nan 0.000 0.487 443 D N 5.868 126.272 120.400 0.007 0.000 2.608 443 D HA 0.096 4.733 4.640 -0.004 0.000 0.224 443 D C 0.785 177.203 176.300 0.196 0.000 1.123 443 D CA -0.010 54.041 54.000 0.086 0.000 1.030 443 D CB -0.308 40.518 40.800 0.044 0.000 1.093 443 D HN 0.792 nan 8.370 nan 0.000 0.497 444 W N 1.825 123.308 121.300 0.306 0.000 2.304 444 W HA -0.250 4.407 4.660 -0.006 0.000 0.315 444 W C 2.390 179.037 176.519 0.213 0.000 1.233 444 W CA 0.695 58.207 57.345 0.279 0.000 1.261 444 W CB -0.371 29.233 29.460 0.240 0.000 1.150 444 W HN 0.350 nan 8.180 nan 0.000 0.494 445 N N 0.624 119.583 118.700 0.432 0.000 2.120 445 N HA -0.183 4.555 4.740 -0.004 0.000 0.188 445 N C 1.718 177.356 175.510 0.212 0.000 1.024 445 N CA 1.929 55.201 53.050 0.370 0.000 0.852 445 N CB -0.372 38.307 38.487 0.321 0.000 1.003 445 N HN 0.166 nan 8.380 nan 0.000 0.424 446 A N -0.038 122.851 122.820 0.115 0.000 1.898 446 A HA -0.113 4.204 4.320 -0.004 0.000 0.216 446 A C 2.078 179.588 177.584 -0.123 0.000 1.181 446 A CA 0.979 52.987 52.037 -0.049 0.000 0.620 446 A CB -1.166 17.732 19.000 -0.171 0.000 0.819 446 A HN 0.510 nan 8.150 nan 0.000 0.442 447 W N -0.149 121.112 121.300 -0.064 0.000 2.379 447 W HA -0.018 4.640 4.660 -0.004 0.000 0.307 447 W C 2.081 178.474 176.519 -0.210 0.000 1.200 447 W CA 1.134 58.406 57.345 -0.122 0.000 1.297 447 W CB -0.189 29.204 29.460 -0.111 0.000 1.140 447 W HN 0.203 nan 8.180 nan 0.000 0.507 448 L N -2.231 118.981 121.223 -0.019 0.000 2.202 448 L HA -0.055 4.282 4.340 -0.004 0.000 0.205 448 L C 1.124 177.621 176.870 -0.623 0.000 1.083 448 L CA 0.878 55.442 54.840 -0.460 0.000 0.790 448 L CB -0.423 41.205 42.059 -0.718 0.000 0.942 448 L HN 0.018 nan 8.230 nan 0.000 0.452 449 Y N -1.602 118.760 120.300 0.104 0.000 2.500 449 Y HA 0.282 4.830 4.550 -0.004 0.000 0.246 449 Y C 0.935 176.855 175.900 0.032 0.000 1.146 449 Y CA -0.671 57.471 58.100 0.069 0.000 1.230 449 Y CB 0.213 38.726 38.460 0.087 0.000 1.214 449 Y HN -0.137 nan 8.280 nan 0.000 0.526 450 S N 3.813 119.564 115.700 0.086 0.000 2.554 450 S HA 0.365 4.833 4.470 -0.004 0.000 0.278 450 S C -2.348 172.243 174.600 -0.014 0.000 1.242 450 S CA -1.222 56.996 58.200 0.030 0.000 1.051 450 S CB 1.234 64.422 63.200 -0.019 0.000 0.986 450 S HN -0.003 nan 8.310 nan 0.000 0.502 451 P HA 0.485 nan 4.420 nan 0.000 0.282 451 P C 0.498 177.773 177.300 -0.043 0.000 1.287 451 P CA 0.043 63.134 63.100 -0.015 0.000 0.792 451 P CB 0.175 31.873 31.700 -0.003 0.000 1.163 452 G N -0.988 107.793 108.800 -0.031 0.000 2.741 452 G HA2 -0.197 3.761 3.960 -0.004 0.000 0.222 452 G HA3 -0.197 3.761 3.960 -0.004 0.000 0.222 452 G C -0.572 174.263 174.900 -0.109 0.000 1.364 452 G CA -0.523 44.545 45.100 -0.054 0.000 0.866 452 G HN 0.572 nan 8.290 nan 0.000 0.555 453 L N 1.440 122.586 121.223 -0.128 0.000 2.483 453 L HA 0.262 4.600 4.340 -0.004 0.000 0.275 453 L C -1.320 175.414 176.870 -0.227 0.000 1.220 453 L CA -1.193 53.538 54.840 -0.183 0.000 0.833 453 L CB 0.094 42.077 42.059 -0.127 0.000 1.102 453 L HN 0.414 nan 8.230 nan 0.000 0.490 454 P HA 0.020 nan 4.420 nan 0.000 0.269 454 P C -1.918 175.044 177.300 -0.564 0.000 1.217 454 P CA -0.859 61.850 63.100 -0.651 0.000 0.783 454 P CB 0.020 31.340 31.700 -0.633 0.000 0.898 455 P HA 0.013 nan 4.420 nan 0.000 0.229 455 P C 0.212 177.311 177.300 -0.335 0.000 1.160 455 P CA 1.450 64.253 63.100 -0.495 0.000 0.777 455 P CB 0.560 31.944 31.700 -0.528 0.000 0.814 456 I N -0.585 119.763 120.570 -0.370 0.000 2.692 456 I HA 0.321 4.489 4.170 -0.004 0.000 0.293 456 I C -1.351 174.699 176.117 -0.111 0.000 1.200 456 I CA -1.252 59.924 61.300 -0.207 0.000 1.036 456 I CB 3.061 40.894 38.000 -0.279 0.000 1.258 456 I HN -0.259 nan 8.210 nan 0.000 0.421 457 K N 8.389 128.706 120.400 -0.138 0.000 2.213 457 K HA 0.608 4.925 4.320 -0.004 0.000 0.270 457 K C -2.462 173.997 176.600 -0.236 0.000 1.002 457 K CA -1.360 54.736 56.287 -0.318 0.000 0.868 457 K CB 1.432 33.583 32.500 -0.582 0.000 1.093 457 K HN 0.331 nan 8.250 nan 0.000 0.454 458 P HA 0.019 nan 4.420 nan 0.000 0.280 458 P C -1.091 175.957 177.300 -0.419 0.000 1.278 458 P CA -0.376 62.537 63.100 -0.311 0.000 0.787 458 P CB 0.439 31.904 31.700 -0.392 0.000 1.163 459 N N 0.073 118.481 118.700 -0.486 0.000 2.408 459 N HA 0.269 5.007 4.740 -0.004 0.000 0.280 459 N C -1.014 174.332 175.510 -0.273 0.000 1.002 459 N CA -0.148 52.734 53.050 -0.280 0.000 0.907 459 N CB 0.669 39.052 38.487 -0.173 0.000 1.161 459 N HN 0.351 nan 8.380 nan 0.000 0.488 460 Y N -0.430 119.968 120.300 0.164 0.000 2.429 460 Y HA 0.210 4.758 4.550 -0.005 0.000 0.342 460 Y C 0.391 176.384 175.900 0.154 0.000 1.004 460 Y CA -1.169 57.124 58.100 0.321 0.000 1.075 460 Y CB 1.279 39.891 38.460 0.253 0.000 1.214 460 Y HN 0.423 nan 8.280 nan 0.000 0.455 461 D N 1.650 122.189 120.400 0.230 0.000 2.382 461 D HA 0.151 4.788 4.640 -0.004 0.000 0.245 461 D C 0.435 176.845 176.300 0.183 0.000 1.120 461 D CA 0.014 54.042 54.000 0.047 0.000 0.890 461 D CB 0.834 41.543 40.800 -0.153 0.000 1.201 461 D HN 0.434 nan 8.370 nan 0.000 0.433 462 M N 1.946 121.628 119.600 0.137 0.000 2.414 462 M HA 0.006 4.484 4.480 -0.004 0.000 0.251 462 M C 1.703 178.097 176.300 0.157 0.000 1.116 462 M CA 0.206 55.596 55.300 0.151 0.000 1.056 462 M CB -0.679 31.990 32.600 0.114 0.000 1.388 462 M HN 0.452 nan 8.290 nan 0.000 0.487 463 T N 2.620 117.251 114.554 0.128 0.000 2.464 463 T HA -0.250 4.097 4.350 -0.004 0.000 0.245 463 T C 1.854 176.631 174.700 0.129 0.000 1.298 463 T CA 1.917 64.084 62.100 0.110 0.000 1.152 463 T CB -0.745 68.177 68.868 0.089 0.000 0.854 463 T HN 0.369 nan 8.240 nan 0.000 0.428 464 L N 0.580 121.901 121.223 0.165 0.000 2.362 464 L HA -0.061 4.276 4.340 -0.004 0.000 0.219 464 L C 2.680 179.702 176.870 0.254 0.000 1.134 464 L CA 0.993 55.903 54.840 0.116 0.000 0.807 464 L CB -0.714 41.327 42.059 -0.030 0.000 0.927 464 L HN 0.369 nan 8.230 nan 0.000 0.447 465 T N -1.412 113.365 114.554 0.372 0.000 3.009 465 T HA -0.035 4.313 4.350 -0.004 0.000 0.258 465 T C 1.573 176.406 174.700 0.222 0.000 1.063 465 T CA 0.676 62.995 62.100 0.365 0.000 1.139 465 T CB -0.183 68.836 68.868 0.251 0.000 0.890 465 T HN 0.400 nan 8.240 nan 0.000 0.471 466 N N 1.675 120.475 118.700 0.165 0.000 2.094 466 N HA -0.132 4.605 4.740 -0.004 0.000 0.191 466 N C 2.161 177.744 175.510 0.122 0.000 1.023 466 N CA 1.067 54.192 53.050 0.125 0.000 0.857 466 N CB -0.170 38.376 38.487 0.097 0.000 1.013 466 N HN 0.345 nan 8.380 nan 0.000 0.426 467 A N 0.679 123.568 122.820 0.114 0.000 1.933 467 A HA -0.157 4.161 4.320 -0.004 0.000 0.218 467 A C 2.441 180.095 177.584 0.117 0.000 1.175 467 A CA 1.162 53.253 52.037 0.091 0.000 0.628 467 A CB -0.837 18.198 19.000 0.058 0.000 0.814 467 A HN 0.503 nan 8.150 nan 0.000 0.444 468 C N -0.562 118.842 119.300 0.174 0.000 2.453 468 C HA 0.003 4.461 4.460 -0.004 0.000 0.277 468 C C 2.505 177.657 174.990 0.271 0.000 1.262 468 C CA 0.659 59.823 59.018 0.243 0.000 1.718 468 C CB -1.409 26.513 27.740 0.303 0.000 2.031 468 C HN 0.610 nan 8.230 nan 0.000 0.480 469 I N 2.024 122.721 120.570 0.212 0.000 2.163 469 I HA -0.234 3.933 4.170 -0.004 0.000 0.243 469 I C 2.864 179.099 176.117 0.196 0.000 1.085 469 I CA 1.727 63.140 61.300 0.189 0.000 1.347 469 I CB -0.685 37.399 38.000 0.141 0.000 1.044 469 I HN 0.300 nan 8.210 nan 0.000 0.408 470 A N 0.716 123.635 122.820 0.165 0.000 1.877 470 A HA -0.226 4.092 4.320 -0.004 0.000 0.216 470 A C 2.257 179.958 177.584 0.196 0.000 1.186 470 A CA 1.623 53.750 52.037 0.149 0.000 0.620 470 A CB -0.824 18.240 19.000 0.106 0.000 0.822 470 A HN 0.375 nan 8.150 nan 0.000 0.443 471 L N -0.321 121.022 121.223 0.200 0.000 2.093 471 L HA -0.065 4.272 4.340 -0.004 0.000 0.208 471 L C 2.630 179.812 176.870 0.521 0.000 1.085 471 L CA 2.407 57.392 54.840 0.242 0.000 0.755 471 L CB -0.691 41.331 42.059 -0.061 0.000 0.904 471 L HN 0.364 nan 8.230 nan 0.000 0.435 472 S N -1.363 114.690 115.700 0.588 0.000 2.368 472 S HA -0.207 4.260 4.470 -0.004 0.000 0.225 472 S C 1.969 176.834 174.600 0.442 0.000 1.030 472 S CA 1.179 59.761 58.200 0.636 0.000 0.999 472 S CB -0.215 63.225 63.200 0.399 0.000 0.844 472 S HN 0.557 nan 8.310 nan 0.000 0.459 473 Q N 0.772 120.763 119.800 0.319 0.000 2.167 473 Q HA 0.037 4.374 4.340 -0.004 0.000 0.202 473 Q C 2.325 178.480 176.000 0.259 0.000 0.970 473 Q CA 1.068 57.015 55.803 0.240 0.000 0.855 473 Q CB -0.373 28.466 28.738 0.170 0.000 0.911 473 Q HN 0.585 nan 8.270 nan 0.000 0.438 474 R N -1.146 119.532 120.500 0.297 0.000 2.092 474 R HA -0.137 4.200 4.340 -0.004 0.000 0.231 474 R C 1.978 178.493 176.300 0.359 0.000 1.119 474 R CA 1.202 57.461 56.100 0.266 0.000 0.970 474 R CB -0.175 30.277 30.300 0.254 0.000 0.864 474 R HN 0.294 nan 8.270 nan 0.000 0.440 475 W N 0.503 122.017 121.300 0.356 0.000 2.453 475 W HA 0.056 4.713 4.660 -0.004 0.000 0.289 475 W C 1.883 178.563 176.519 0.270 0.000 1.215 475 W CA 0.456 57.945 57.345 0.240 0.000 1.297 475 W CB -0.085 29.456 29.460 0.135 0.000 1.113 475 W HN -0.035 nan 8.180 nan 0.000 0.551 476 I N -0.091 120.739 120.570 0.434 0.000 2.252 476 I HA -0.239 3.928 4.170 -0.004 0.000 0.245 476 I C 2.368 178.617 176.117 0.221 0.000 1.102 476 I CA 1.810 63.273 61.300 0.272 0.000 1.385 476 I CB -0.708 37.403 38.000 0.185 0.000 1.064 476 I HN -0.033 nan 8.210 nan 0.000 0.414 477 T N -1.379 113.301 114.554 0.210 0.000 3.107 477 T HA 0.375 4.722 4.350 -0.004 0.000 0.249 477 T C 0.710 175.509 174.700 0.165 0.000 1.096 477 T CA -0.169 62.023 62.100 0.153 0.000 1.012 477 T CB -0.250 68.685 68.868 0.113 0.000 0.977 477 T HN 0.177 nan 8.240 nan 0.000 0.527 478 A N 2.077 125.044 122.820 0.245 0.000 2.440 478 A HA 0.557 4.874 4.320 -0.004 0.000 0.251 478 A C 0.373 178.129 177.584 0.288 0.000 1.089 478 A CA -0.537 51.623 52.037 0.204 0.000 0.779 478 A CB 0.411 19.521 19.000 0.184 0.000 1.022 478 A HN 0.273 nan 8.150 nan 0.000 0.492 479 K N 1.001 121.482 120.400 0.135 0.000 2.210 479 K HA 0.202 4.520 4.320 -0.004 0.000 0.236 479 K C 1.115 177.767 176.600 0.086 0.000 1.016 479 K CA -0.582 55.790 56.287 0.142 0.000 0.913 479 K CB 0.781 33.322 32.500 0.069 0.000 1.141 479 K HN 0.894 nan 8.250 nan 0.000 0.462 480 E N 1.180 121.442 120.200 0.104 0.000 2.114 480 E HA -0.251 4.096 4.350 -0.004 0.000 0.199 480 E C 0.406 176.998 176.600 -0.013 0.000 1.008 480 E CA 1.990 58.420 56.400 0.050 0.000 0.810 480 E CB 0.071 29.805 29.700 0.056 0.000 0.739 480 E HN 0.574 nan 8.360 nan 0.000 0.456 481 D N -0.432 119.957 120.400 -0.018 0.000 2.323 481 D HA -0.086 4.552 4.640 -0.004 0.000 0.239 481 D C 0.357 176.606 176.300 -0.085 0.000 1.129 481 D CA 0.326 54.299 54.000 -0.044 0.000 0.865 481 D CB 0.091 40.870 40.800 -0.034 0.000 0.913 481 D HN 0.181 nan 8.370 nan 0.000 0.517 482 D N -0.289 120.045 120.400 -0.110 0.000 2.473 482 D HA 0.098 4.736 4.640 -0.004 0.000 0.230 482 D C 2.223 178.362 176.300 -0.267 0.000 1.097 482 D CA -0.144 53.734 54.000 -0.202 0.000 0.861 482 D CB 0.527 41.215 40.800 -0.187 0.000 1.114 482 D HN 0.208 nan 8.370 nan 0.000 0.500 483 L N 1.199 122.334 121.223 -0.146 0.000 2.081 483 L HA -0.203 4.135 4.340 -0.004 0.000 0.212 483 L C 2.139 178.984 176.870 -0.042 0.000 1.080 483 L CA 1.087 55.898 54.840 -0.049 0.000 0.754 483 L CB -0.473 41.541 42.059 -0.076 0.000 0.893 483 L HN 0.006 nan 8.230 nan 0.000 0.433 484 N N -0.053 118.588 118.700 -0.099 0.000 2.443 484 N HA -0.167 4.571 4.740 -0.004 0.000 0.184 484 N C 1.838 177.261 175.510 -0.146 0.000 1.037 484 N CA 1.150 54.147 53.050 -0.089 0.000 0.896 484 N CB 0.040 38.480 38.487 -0.078 0.000 0.959 484 N HN 0.334 nan 8.380 nan 0.000 0.442 485 S N -1.479 114.046 115.700 -0.291 0.000 2.562 485 S HA 0.085 4.553 4.470 -0.004 0.000 0.221 485 S C 0.228 174.567 174.600 -0.435 0.000 0.975 485 S CA -0.289 57.687 58.200 -0.373 0.000 0.918 485 S CB -0.488 62.430 63.200 -0.469 0.000 0.772 485 S HN 0.095 nan 8.310 nan 0.000 0.531 486 F N 3.012 122.827 119.950 -0.225 0.000 2.412 486 F HA 0.579 5.103 4.527 -0.004 0.000 0.348 486 F C 0.752 176.507 175.800 -0.074 0.000 1.102 486 F CA -0.832 57.054 58.000 -0.190 0.000 1.196 486 F CB 0.616 39.397 39.000 -0.365 0.000 1.144 486 F HN 0.182 nan 8.300 nan 0.000 0.541 487 N N 0.966 119.796 118.700 0.217 0.000 2.494 487 N HA 0.357 5.094 4.740 -0.004 0.000 0.270 487 N C 0.290 175.956 175.510 0.260 0.000 1.285 487 N CA -0.141 53.002 53.050 0.154 0.000 0.812 487 N CB 2.072 40.599 38.487 0.068 0.000 1.557 487 N HN 0.555 nan 8.380 nan 0.000 0.487 488 A N 0.732 123.661 122.820 0.182 0.000 2.084 488 A HA -0.164 4.153 4.320 -0.004 0.000 0.221 488 A C 1.737 179.379 177.584 0.097 0.000 1.161 488 A CA 2.556 54.702 52.037 0.181 0.000 0.653 488 A CB -1.072 17.973 19.000 0.075 0.000 0.802 488 A HN 0.831 nan 8.150 nan 0.000 0.457 489 T N -2.910 111.691 114.554 0.078 0.000 3.085 489 T HA -0.071 4.277 4.350 -0.004 0.000 0.263 489 T C 1.082 175.794 174.700 0.020 0.000 1.127 489 T CA 1.034 63.152 62.100 0.029 0.000 1.103 489 T CB -0.324 68.555 68.868 0.018 0.000 0.921 489 T HN 0.414 nan 8.240 nan 0.000 0.510 490 D N 1.957 122.402 120.400 0.075 0.000 2.182 490 D HA -0.028 4.609 4.640 -0.004 0.000 0.201 490 D C 1.749 177.994 176.300 -0.092 0.000 0.986 490 D CA 0.922 54.949 54.000 0.045 0.000 0.847 490 D CB -0.116 40.806 40.800 0.204 0.000 0.942 490 D HN 0.463 nan 8.370 nan 0.000 0.467 491 L N 0.675 121.793 121.223 -0.176 0.000 2.592 491 L HA 0.089 4.426 4.340 -0.004 0.000 0.227 491 L C 2.204 178.998 176.870 -0.127 0.000 1.127 491 L CA -0.022 54.679 54.840 -0.231 0.000 0.884 491 L CB -0.180 41.654 42.059 -0.375 0.000 1.065 491 L HN 0.021 nan 8.230 nan 0.000 0.457 492 K N -0.220 120.132 120.400 -0.080 0.000 2.152 492 K HA -0.173 4.144 4.320 -0.004 0.000 0.206 492 K C 0.607 177.177 176.600 -0.049 0.000 1.048 492 K CA 1.651 57.904 56.287 -0.055 0.000 0.933 492 K CB -0.091 32.388 32.500 -0.035 0.000 0.721 492 K HN 0.258 nan 8.250 nan 0.000 0.447 493 D N 0.646 121.016 120.400 -0.049 0.000 2.369 493 D HA 0.145 4.782 4.640 -0.004 0.000 0.211 493 D C 0.140 176.412 176.300 -0.048 0.000 1.077 493 D CA 0.053 54.028 54.000 -0.042 0.000 0.842 493 D CB 0.356 41.137 40.800 -0.032 0.000 0.947 493 D HN 0.186 nan 8.370 nan 0.000 0.509 494 L N 1.697 122.887 121.223 -0.056 0.000 2.305 494 L HA 0.181 4.518 4.340 -0.004 0.000 0.281 494 L C 1.187 178.034 176.870 -0.038 0.000 1.085 494 L CA -0.455 54.357 54.840 -0.047 0.000 0.813 494 L CB 1.391 43.417 42.059 -0.054 0.000 1.157 494 L HN -0.091 nan 8.230 nan 0.000 0.436 495 S N 0.559 116.240 115.700 -0.032 0.000 2.640 495 S HA 0.105 4.572 4.470 -0.004 0.000 0.262 495 S C 1.231 175.850 174.600 0.032 0.000 1.232 495 S CA -0.136 58.059 58.200 -0.009 0.000 0.988 495 S CB 1.234 64.424 63.200 -0.018 0.000 1.034 495 S HN 0.722 nan 8.310 nan 0.000 0.569 496 S N -0.092 115.628 115.700 0.033 0.000 2.406 496 S HA -0.149 4.319 4.470 -0.004 0.000 0.228 496 S C 1.467 176.057 174.600 -0.016 0.000 1.020 496 S CA 1.174 59.361 58.200 -0.022 0.000 0.965 496 S CB -1.079 62.059 63.200 -0.104 0.000 0.798 496 S HN 0.825 nan 8.310 nan 0.000 0.488 497 H N 1.556 120.664 119.070 0.063 0.000 2.357 497 H HA 0.128 4.681 4.556 -0.005 0.000 0.301 497 H C 2.417 177.894 175.328 0.248 0.000 1.082 497 H CA 1.780 57.940 56.048 0.186 0.000 1.342 497 H CB -0.345 29.566 29.762 0.248 0.000 1.389 497 H HN 0.506 nan 8.280 nan 0.000 0.511 498 Q N -0.338 119.597 119.800 0.226 0.000 2.230 498 Q HA -0.064 4.273 4.340 -0.004 0.000 0.202 498 Q C 1.900 178.040 176.000 0.233 0.000 0.963 498 Q CA 0.614 56.554 55.803 0.228 0.000 0.866 498 Q CB 0.037 28.811 28.738 0.060 0.000 0.931 498 Q HN 0.283 nan 8.270 nan 0.000 0.452 499 L N 1.015 122.338 121.223 0.166 0.000 2.093 499 L HA -0.138 4.199 4.340 -0.004 0.000 0.208 499 L C 1.807 178.785 176.870 0.180 0.000 1.085 499 L CA 1.738 56.685 54.840 0.179 0.000 0.755 499 L CB -0.447 41.689 42.059 0.128 0.000 0.904 499 L HN 0.139 nan 8.230 nan 0.000 0.435 500 N N -0.692 118.092 118.700 0.140 0.000 2.244 500 N HA -0.229 4.509 4.740 -0.004 0.000 0.183 500 N C 1.839 177.413 175.510 0.107 0.000 1.016 500 N CA 1.150 54.255 53.050 0.091 0.000 0.866 500 N CB -0.012 38.531 38.487 0.093 0.000 0.980 500 N HN 0.363 nan 8.380 nan 0.000 0.430 501 E N -0.600 119.729 120.200 0.215 0.000 2.152 501 E HA -0.100 4.248 4.350 -0.004 0.000 0.192 501 E C 1.544 178.239 176.600 0.157 0.000 0.983 501 E CA 0.601 57.107 56.400 0.176 0.000 0.818 501 E CB -0.522 29.356 29.700 0.297 0.000 0.758 501 E HN 0.451 nan 8.360 nan 0.000 0.467 502 F N 0.787 120.777 119.950 0.067 0.000 2.075 502 F HA -0.118 4.406 4.527 -0.004 0.000 0.297 502 F C 1.704 177.490 175.800 -0.024 0.000 1.113 502 F CA 1.542 59.565 58.000 0.038 0.000 1.218 502 F CB -0.625 38.396 39.000 0.034 0.000 0.984 502 F HN 0.054 nan 8.300 nan 0.000 0.472 503 L N 0.233 121.173 121.223 -0.472 0.000 2.083 503 L HA -0.193 4.144 4.340 -0.004 0.000 0.209 503 L C 2.845 179.499 176.870 -0.360 0.000 1.083 503 L CA 1.228 55.708 54.840 -0.600 0.000 0.752 503 L CB -1.243 40.566 42.059 -0.416 0.000 0.899 503 L HN 0.318 nan 8.230 nan 0.000 0.433 504 A N -0.783 121.921 122.820 -0.194 0.000 1.902 504 A HA -0.218 4.099 4.320 -0.004 0.000 0.217 504 A C 2.251 179.757 177.584 -0.129 0.000 1.181 504 A CA 1.323 53.281 52.037 -0.132 0.000 0.623 504 A CB -0.363 18.597 19.000 -0.066 0.000 0.818 504 A HN 0.399 nan 8.150 nan 0.000 0.443 505 Q N -0.619 119.116 119.800 -0.108 0.000 2.167 505 Q HA -0.101 4.236 4.340 -0.004 0.000 0.202 505 Q C 2.047 177.986 176.000 -0.102 0.000 0.970 505 Q CA 1.933 57.700 55.803 -0.059 0.000 0.855 505 Q CB -0.683 28.073 28.738 0.031 0.000 0.911 505 Q HN 0.691 nan 8.270 nan 0.000 0.438 506 T N 1.353 115.766 114.554 -0.234 0.000 2.978 506 T HA -0.045 4.303 4.350 -0.004 0.000 0.262 506 T C 1.827 176.405 174.700 -0.202 0.000 1.063 506 T CA 0.308 62.264 62.100 -0.241 0.000 1.140 506 T CB -0.092 68.489 68.868 -0.478 0.000 0.886 506 T HN 0.058 nan 8.240 nan 0.000 0.470 507 L N 1.432 122.519 121.223 -0.227 0.000 2.093 507 L HA 0.025 4.362 4.340 -0.004 0.000 0.208 507 L C 2.375 179.157 176.870 -0.147 0.000 1.085 507 L CA 1.670 56.389 54.840 -0.201 0.000 0.755 507 L CB -0.667 41.259 42.059 -0.222 0.000 0.904 507 L HN 0.196 nan 8.230 nan 0.000 0.435 508 Q N -0.886 118.843 119.800 -0.118 0.000 2.297 508 Q HA -0.186 4.151 4.340 -0.004 0.000 0.208 508 Q C 1.314 177.272 176.000 -0.070 0.000 0.981 508 Q CA 1.222 56.974 55.803 -0.084 0.000 0.876 508 Q CB 0.080 28.782 28.738 -0.060 0.000 0.921 508 Q HN 0.343 nan 8.270 nan 0.000 0.446 509 R N -0.802 119.655 120.500 -0.070 0.000 2.468 509 R HA 0.269 4.607 4.340 -0.004 0.000 0.280 509 R C -0.322 175.936 176.300 -0.071 0.000 0.963 509 R CA 0.024 56.093 56.100 -0.052 0.000 1.083 509 R CB 0.643 30.931 30.300 -0.021 0.000 1.200 509 R HN 0.061 nan 8.270 nan 0.000 0.541 510 A N 2.241 125.000 122.820 -0.101 0.000 2.425 510 A HA 0.345 4.662 4.320 -0.004 0.000 0.242 510 A C -1.780 175.739 177.584 -0.107 0.000 1.077 510 A CA -0.839 51.126 52.037 -0.121 0.000 0.781 510 A CB -0.265 18.641 19.000 -0.156 0.000 1.020 510 A HN 0.064 nan 8.150 nan 0.000 0.494 511 P HA 0.540 nan 4.420 nan 0.000 0.276 511 P C -1.182 176.044 177.300 -0.124 0.000 1.261 511 P CA -0.348 62.670 63.100 -0.136 0.000 0.800 511 P CB 0.757 32.370 31.700 -0.145 0.000 1.066 512 L N 0.872 122.012 121.223 -0.139 0.000 2.323 512 L HA 0.532 4.869 4.340 -0.004 0.000 0.265 512 L C -2.310 174.449 176.870 -0.186 0.000 1.012 512 L CA -2.314 52.440 54.840 -0.144 0.000 0.820 512 L CB 1.040 43.047 42.059 -0.086 0.000 1.334 512 L HN 0.270 nan 8.230 nan 0.000 0.427 513 P HA -0.036 nan 4.420 nan 0.000 0.264 513 P C 0.601 177.813 177.300 -0.146 0.000 1.183 513 P CA -0.184 62.769 63.100 -0.245 0.000 0.763 513 P CB 0.445 31.896 31.700 -0.415 0.000 0.807 514 L N 4.462 125.607 121.223 -0.131 0.000 2.081 514 L HA -0.115 4.222 4.340 -0.004 0.000 0.212 514 L C 2.141 178.895 176.870 -0.193 0.000 1.080 514 L CA 2.533 57.264 54.840 -0.181 0.000 0.754 514 L CB -1.590 40.377 42.059 -0.152 0.000 0.893 514 L HN 0.540 nan 8.230 nan 0.000 0.433 515 G N -2.257 106.508 108.800 -0.058 0.000 2.422 515 G HA2 -0.298 3.659 3.960 -0.004 0.000 0.218 515 G HA3 -0.298 3.659 3.960 -0.004 0.000 0.218 515 G C 1.330 176.287 174.900 0.095 0.000 1.146 515 G CA 0.927 46.027 45.100 0.000 0.000 0.769 515 G HN 0.524 nan 8.290 nan 0.000 0.547 516 H N 0.490 119.558 119.070 -0.003 0.000 2.319 516 H HA -0.023 4.530 4.556 -0.004 0.000 0.299 516 H C 2.670 178.015 175.328 0.029 0.000 1.092 516 H CA 0.989 57.120 56.048 0.139 0.000 1.302 516 H CB -0.181 29.697 29.762 0.193 0.000 1.373 516 H HN 0.191 nan 8.280 nan 0.000 0.497 517 I N 0.985 121.559 120.570 0.007 0.000 2.163 517 I HA -0.253 3.915 4.170 -0.004 0.000 0.243 517 I C 2.032 178.011 176.117 -0.230 0.000 1.085 517 I CA 1.402 62.628 61.300 -0.124 0.000 1.347 517 I CB -0.870 36.963 38.000 -0.279 0.000 1.044 517 I HN 0.273 nan 8.210 nan 0.000 0.408 518 K N 0.094 120.207 120.400 -0.478 0.000 2.097 518 K HA -0.222 4.095 4.320 -0.004 0.000 0.206 518 K C 2.212 178.740 176.600 -0.120 0.000 1.049 518 K CA 1.230 57.227 56.287 -0.483 0.000 0.933 518 K CB -0.175 32.067 32.500 -0.431 0.000 0.717 518 K HN 0.048 nan 8.250 nan 0.000 0.442 519 R N 1.344 121.824 120.500 -0.034 0.000 2.092 519 R HA 0.004 4.342 4.340 -0.004 0.000 0.231 519 R C 2.029 178.343 176.300 0.024 0.000 1.119 519 R CA 1.353 57.486 56.100 0.054 0.000 0.970 519 R CB -0.334 30.058 30.300 0.155 0.000 0.864 519 R HN 0.157 nan 8.270 nan 0.000 0.440 520 M N -0.124 119.428 119.600 -0.081 0.000 2.117 520 M HA -0.194 4.283 4.480 -0.004 0.000 0.262 520 M C 2.011 178.170 176.300 -0.235 0.000 1.065 520 M CA 2.048 57.121 55.300 -0.377 0.000 1.114 520 M CB -0.062 32.283 32.600 -0.425 0.000 1.361 520 M HN 0.202 nan 8.290 nan 0.000 0.408 521 Q N 0.596 120.423 119.800 0.045 0.000 2.123 521 Q HA -0.209 4.128 4.340 -0.004 0.000 0.199 521 Q C 1.651 177.659 176.000 0.014 0.000 0.966 521 Q CA 2.146 58.017 55.803 0.114 0.000 0.845 521 Q CB -0.367 28.703 28.738 0.553 0.000 0.907 521 Q HN 0.651 nan 8.270 nan 0.000 0.439 522 E N -0.571 119.637 120.200 0.015 0.000 2.118 522 E HA -0.167 4.180 4.350 -0.004 0.000 0.195 522 E C 1.591 178.157 176.600 -0.056 0.000 0.992 522 E CA 1.968 58.369 56.400 0.002 0.000 0.804 522 E CB 0.080 29.788 29.700 0.012 0.000 0.741 522 E HN 0.388 nan 8.360 nan 0.000 0.458 523 V N -2.178 117.646 119.914 -0.149 0.000 3.085 523 V HA 0.040 4.158 4.120 -0.004 0.000 0.245 523 V C 1.551 177.565 176.094 -0.134 0.000 1.114 523 V CA 0.394 62.597 62.300 -0.162 0.000 1.108 523 V CB -0.529 31.172 31.823 -0.203 0.000 0.798 523 V HN 0.158 nan 8.190 nan 0.000 0.471 524 Y N 0.912 121.016 120.300 -0.327 0.000 2.478 524 Y HA 0.382 4.930 4.550 -0.005 0.000 0.261 524 Y C 1.331 176.787 175.900 -0.741 0.000 1.127 524 Y CA -0.748 56.954 58.100 -0.664 0.000 1.288 524 Y CB -1.215 36.488 38.460 -1.262 0.000 1.084 524 Y HN 0.508 nan 8.280 nan 0.000 0.530 525 N N 0.541 119.032 118.700 -0.349 0.000 2.686 525 N HA -0.263 4.474 4.740 -0.004 0.000 0.261 525 N C -0.137 175.190 175.510 -0.305 0.000 1.001 525 N CA -0.140 52.773 53.050 -0.228 0.000 0.764 525 N CB -0.956 37.461 38.487 -0.117 0.000 0.898 525 N HN 0.138 nan 8.380 nan 0.000 0.544 526 F N 0.332 120.035 119.950 -0.410 0.000 2.502 526 F HA 0.004 4.529 4.527 -0.004 0.000 0.298 526 F C 2.125 177.702 175.800 -0.371 0.000 1.111 526 F CA 0.781 58.400 58.000 -0.635 0.000 1.445 526 F CB -0.265 37.812 39.000 -1.539 0.000 1.081 526 F HN 0.392 nan 8.300 nan 0.000 0.558 527 N N -0.202 118.543 118.700 0.074 0.000 2.381 527 N HA -0.118 4.619 4.740 -0.004 0.000 0.182 527 N C 1.921 177.499 175.510 0.112 0.000 1.025 527 N CA 0.648 53.843 53.050 0.240 0.000 0.888 527 N CB -0.100 38.542 38.487 0.258 0.000 0.965 527 N HN 0.257 nan 8.380 nan 0.000 0.438 528 A N 0.881 123.729 122.820 0.047 0.000 2.021 528 A HA 0.116 4.434 4.320 -0.004 0.000 0.216 528 A C 0.981 178.579 177.584 0.023 0.000 1.163 528 A CA 0.018 52.069 52.037 0.024 0.000 0.676 528 A CB -0.047 18.951 19.000 -0.003 0.000 0.818 528 A HN 0.105 nan 8.150 nan 0.000 0.453 529 I N 1.167 121.756 120.570 0.032 0.000 2.752 529 I HA -0.041 4.126 4.170 -0.004 0.000 0.287 529 I C 0.643 176.782 176.117 0.036 0.000 1.188 529 I CA -0.176 61.147 61.300 0.037 0.000 1.427 529 I CB 0.440 38.483 38.000 0.072 0.000 1.365 529 I HN 0.238 nan 8.210 nan 0.000 0.585 530 N N 3.190 121.903 118.700 0.021 0.000 2.294 530 N HA -0.036 4.701 4.740 -0.004 0.000 0.186 530 N C 0.475 175.989 175.510 0.006 0.000 1.107 530 N CA 0.145 53.204 53.050 0.014 0.000 0.884 530 N CB -0.027 38.467 38.487 0.011 0.000 1.030 530 N HN 0.546 nan 8.380 nan 0.000 0.482 531 N N 2.357 121.062 118.700 0.008 0.000 2.332 531 N HA -0.082 4.655 4.740 -0.004 0.000 0.274 531 N C 1.148 176.647 175.510 -0.019 0.000 1.351 531 N CA 0.214 53.266 53.050 0.002 0.000 0.875 531 N CB 0.614 39.100 38.487 -0.001 0.000 1.140 531 N HN 0.158 nan 8.380 nan 0.000 0.489 532 S N 3.467 119.148 115.700 -0.031 0.000 2.387 532 S HA -0.157 4.310 4.470 -0.004 0.000 0.230 532 S C 1.310 175.751 174.600 -0.266 0.000 1.035 532 S CA 0.800 58.906 58.200 -0.156 0.000 1.014 532 S CB -0.042 63.106 63.200 -0.087 0.000 0.836 532 S HN 0.610 nan 8.310 nan 0.000 0.466 533 E N 1.327 121.502 120.200 -0.043 0.000 2.072 533 E HA 0.010 4.357 4.350 -0.004 0.000 0.191 533 E C 2.159 178.794 176.600 0.059 0.000 0.985 533 E CA 1.136 57.578 56.400 0.069 0.000 0.801 533 E CB -0.315 29.468 29.700 0.140 0.000 0.750 533 E HN 0.640 nan 8.360 nan 0.000 0.452 534 I N 0.353 120.927 120.570 0.008 0.000 2.333 534 I HA -0.181 3.986 4.170 -0.004 0.000 0.246 534 I C 2.782 178.887 176.117 -0.019 0.000 1.106 534 I CA 0.629 61.916 61.300 -0.021 0.000 1.411 534 I CB -0.263 37.724 38.000 -0.022 0.000 1.082 534 I HN -0.007 nan 8.210 nan 0.000 0.420 535 R N 1.008 121.506 120.500 -0.003 0.000 2.083 535 R HA -0.244 4.093 4.340 -0.004 0.000 0.237 535 R C 2.476 178.788 176.300 0.020 0.000 1.137 535 R CA 1.949 58.078 56.100 0.048 0.000 0.951 535 R CB -0.456 29.850 30.300 0.010 0.000 0.851 535 R HN 0.255 nan 8.270 nan 0.000 0.434 536 F N 1.474 121.264 119.950 -0.267 0.000 2.065 536 F HA -0.224 4.299 4.527 -0.005 0.000 0.298 536 F C 2.087 177.793 175.800 -0.157 0.000 1.112 536 F CA 1.786 59.601 58.000 -0.310 0.000 1.212 536 F CB -0.249 38.392 39.000 -0.599 0.000 0.975 536 F HN -0.062 nan 8.300 nan 0.000 0.476 537 R N -0.412 119.878 120.500 -0.350 0.000 2.115 537 R HA -0.209 4.128 4.340 -0.004 0.000 0.230 537 R C 2.394 178.515 176.300 -0.298 0.000 1.111 537 R CA 1.565 57.394 56.100 -0.453 0.000 0.976 537 R CB -1.101 29.066 30.300 -0.222 0.000 0.870 537 R HN 0.672 nan 8.270 nan 0.000 0.445 538 W N 1.591 122.661 121.300 -0.384 0.000 2.379 538 W HA -0.157 4.501 4.660 -0.004 0.000 0.307 538 W C 1.321 177.688 176.519 -0.253 0.000 1.200 538 W CA 0.967 58.106 57.345 -0.343 0.000 1.297 538 W CB -0.152 29.136 29.460 -0.287 0.000 1.140 538 W HN 0.042 nan 8.180 nan 0.000 0.507 539 L N 0.760 121.780 121.223 -0.339 0.000 2.131 539 L HA -0.199 4.138 4.340 -0.004 0.000 0.210 539 L C 2.866 179.469 176.870 -0.444 0.000 1.092 539 L CA 1.259 55.821 54.840 -0.463 0.000 0.759 539 L CB -0.807 41.092 42.059 -0.267 0.000 0.903 539 L HN -0.024 nan 8.230 nan 0.000 0.435 540 R N -0.290 119.930 120.500 -0.468 0.000 2.066 540 R HA -0.179 4.158 4.340 -0.004 0.000 0.232 540 R C 2.236 178.308 176.300 -0.381 0.000 1.131 540 R CA 1.224 57.066 56.100 -0.431 0.000 0.955 540 R CB -0.581 29.390 30.300 -0.548 0.000 0.851 540 R HN 0.164 nan 8.270 nan 0.000 0.432 541 L N 1.028 122.014 121.223 -0.394 0.000 1.990 541 L HA -0.271 4.067 4.340 -0.004 0.000 0.213 541 L C 2.247 178.886 176.870 -0.385 0.000 1.072 541 L CA 1.790 56.420 54.840 -0.349 0.000 0.755 541 L CB -0.654 41.226 42.059 -0.299 0.000 0.889 541 L HN 0.230 nan 8.230 nan 0.000 0.432 542 C N -0.569 118.413 119.300 -0.531 0.000 2.413 542 C HA -0.172 4.286 4.460 -0.004 0.000 0.277 542 C C 2.688 177.497 174.990 -0.302 0.000 1.228 542 C CA 0.626 59.396 59.018 -0.413 0.000 1.731 542 C CB -1.067 26.359 27.740 -0.523 0.000 2.042 542 C HN 0.576 nan 8.230 nan 0.000 0.468 543 I N 0.851 121.221 120.570 -0.333 0.000 2.163 543 I HA -0.225 3.943 4.170 -0.004 0.000 0.243 543 I C 2.587 178.438 176.117 -0.443 0.000 1.085 543 I CA 1.719 62.819 61.300 -0.333 0.000 1.347 543 I CB -1.672 36.195 38.000 -0.221 0.000 1.044 543 I HN 0.527 nan 8.210 nan 0.000 0.408 544 Q N -0.065 119.534 119.800 -0.335 0.000 2.291 544 Q HA -0.104 4.234 4.340 -0.004 0.000 0.206 544 Q C 1.827 177.641 176.000 -0.310 0.000 0.976 544 Q CA 1.178 56.804 55.803 -0.295 0.000 0.875 544 Q CB -0.010 28.590 28.738 -0.230 0.000 0.927 544 Q HN 0.359 nan 8.270 nan 0.000 0.450 545 S N 0.102 115.614 115.700 -0.313 0.000 2.597 545 S HA 0.053 4.520 4.470 -0.004 0.000 0.224 545 S C -0.219 174.206 174.600 -0.292 0.000 0.955 545 S CA -0.093 57.951 58.200 -0.261 0.000 0.933 545 S CB 0.361 63.431 63.200 -0.217 0.000 0.788 545 S HN 0.215 nan 8.310 nan 0.000 0.488 546 K N -0.120 119.968 120.400 -0.520 0.000 3.192 546 K HA -0.165 4.152 4.320 -0.004 0.000 0.278 546 K C -0.802 175.681 176.600 -0.194 0.000 1.164 546 K CA 0.497 56.335 56.287 -0.748 0.000 0.816 546 K CB -2.024 30.240 32.500 -0.393 0.000 1.256 546 K HN 0.546 nan 8.250 nan 0.000 0.497 547 W N 3.114 124.224 121.300 -0.317 0.000 2.416 547 W HA 0.201 4.858 4.660 -0.005 0.000 0.318 547 W C 1.131 177.648 176.519 -0.005 0.000 1.150 547 W CA -0.999 56.269 57.345 -0.129 0.000 1.392 547 W CB 0.029 29.382 29.460 -0.179 0.000 1.311 547 W HN 0.150 nan 8.180 nan 0.000 0.436 548 E N 2.100 122.476 120.200 0.294 0.000 2.171 548 E HA -0.276 4.071 4.350 -0.004 0.000 0.197 548 E C 1.039 177.558 176.600 -0.135 0.000 0.997 548 E CA 1.898 58.389 56.400 0.152 0.000 0.810 548 E CB 0.235 30.028 29.700 0.155 0.000 0.738 548 E HN 0.454 nan 8.360 nan 0.000 0.467 549 D N 0.480 120.604 120.400 -0.460 0.000 2.178 549 D HA -0.132 4.505 4.640 -0.004 0.000 0.201 549 D C 1.662 177.601 176.300 -0.602 0.000 0.980 549 D CA 1.266 54.892 54.000 -0.624 0.000 0.842 549 D CB -0.143 40.039 40.800 -1.029 0.000 0.948 549 D HN 0.204 nan 8.370 nan 0.000 0.472 550 A N -0.052 122.368 122.820 -0.667 0.000 2.167 550 A HA 0.037 4.354 4.320 -0.004 0.000 0.214 550 A C 2.079 179.511 177.584 -0.254 0.000 1.151 550 A CA 0.089 51.850 52.037 -0.461 0.000 0.735 550 A CB -0.508 18.207 19.000 -0.475 0.000 0.802 550 A HN 0.164 nan 8.150 nan 0.000 0.467 551 I N 0.926 121.397 120.570 -0.166 0.000 2.118 551 I HA -0.201 3.966 4.170 -0.004 0.000 0.241 551 I C -0.202 175.845 176.117 -0.118 0.000 1.070 551 I CA 1.803 63.050 61.300 -0.089 0.000 1.327 551 I CB -1.091 36.888 38.000 -0.035 0.000 1.034 551 I HN 0.263 nan 8.210 nan 0.000 0.405 552 P HA -0.155 nan 4.420 nan 0.000 0.217 552 P C 1.927 179.160 177.300 -0.111 0.000 1.150 552 P CA 1.633 64.671 63.100 -0.104 0.000 0.832 552 P CB -0.070 31.574 31.700 -0.093 0.000 0.787 553 L N -0.564 120.578 121.223 -0.135 0.000 2.056 553 L HA -0.088 4.249 4.340 -0.004 0.000 0.207 553 L C 2.845 179.640 176.870 -0.125 0.000 1.078 553 L CA 1.557 56.327 54.840 -0.117 0.000 0.749 553 L CB -1.373 40.610 42.059 -0.126 0.000 0.901 553 L HN -0.062 nan 8.230 nan 0.000 0.433 554 A N 0.284 123.011 122.820 -0.156 0.000 1.902 554 A HA -0.144 4.173 4.320 -0.004 0.000 0.217 554 A C 2.300 179.767 177.584 -0.195 0.000 1.181 554 A CA 1.321 53.257 52.037 -0.168 0.000 0.623 554 A CB -0.641 18.254 19.000 -0.176 0.000 0.818 554 A HN 0.325 nan 8.150 nan 0.000 0.443 555 L N -0.687 120.423 121.223 -0.187 0.000 2.017 555 L HA -0.208 4.129 4.340 -0.004 0.000 0.208 555 L C 2.678 179.440 176.870 -0.181 0.000 1.073 555 L CA 1.969 56.679 54.840 -0.217 0.000 0.745 555 L CB -0.400 41.573 42.059 -0.143 0.000 0.894 555 L HN 0.477 nan 8.230 nan 0.000 0.432 556 K N 0.244 120.572 120.400 -0.119 0.000 1.991 556 K HA -0.285 4.033 4.320 -0.004 0.000 0.212 556 K C 2.250 178.802 176.600 -0.081 0.000 1.049 556 K CA 2.159 58.397 56.287 -0.081 0.000 0.932 556 K CB -0.189 32.278 32.500 -0.054 0.000 0.717 556 K HN 0.150 nan 8.250 nan 0.000 0.441 557 M N 0.265 119.816 119.600 -0.082 0.000 2.108 557 M HA -0.153 4.324 4.480 -0.004 0.000 0.261 557 M C 1.930 178.195 176.300 -0.058 0.000 1.066 557 M CA 1.936 57.201 55.300 -0.058 0.000 1.107 557 M CB -0.142 32.423 32.600 -0.058 0.000 1.356 557 M HN 0.247 nan 8.290 nan 0.000 0.406 558 A N -0.457 122.282 122.820 -0.134 0.000 2.070 558 A HA -0.145 4.173 4.320 -0.004 0.000 0.220 558 A C 2.020 179.560 177.584 -0.073 0.000 1.159 558 A CA 2.085 54.015 52.037 -0.177 0.000 0.656 558 A CB -0.970 17.690 19.000 -0.567 0.000 0.800 558 A HN 0.747 nan 8.150 nan 0.000 0.453 559 T N -4.618 109.873 114.554 -0.105 0.000 2.964 559 T HA 0.184 4.531 4.350 -0.004 0.000 0.249 559 T C 1.333 176.016 174.700 -0.028 0.000 1.000 559 T CA 0.563 62.601 62.100 -0.105 0.000 0.992 559 T CB -0.047 68.584 68.868 -0.395 0.000 1.087 559 T HN 0.457 nan 8.240 nan 0.000 0.489 560 E N 1.271 121.465 120.200 -0.009 0.000 2.347 560 E HA 0.027 4.374 4.350 -0.004 0.000 0.196 560 E C 0.582 177.213 176.600 0.052 0.000 1.008 560 E CA 0.551 56.969 56.400 0.030 0.000 0.852 560 E CB 0.105 29.818 29.700 0.020 0.000 0.783 560 E HN 0.740 nan 8.360 nan 0.000 0.505 561 Q N -2.019 117.817 119.800 0.059 0.000 2.544 561 Q HA 0.548 4.885 4.340 -0.004 0.000 0.291 561 Q C 0.125 176.177 176.000 0.087 0.000 1.068 561 Q CA -0.852 55.001 55.803 0.082 0.000 0.785 561 Q CB 1.207 30.008 28.738 0.104 0.000 1.481 561 Q HN -0.063 nan 8.270 nan 0.000 0.430 562 G N -0.163 108.682 108.800 0.074 0.000 4.299 562 G HA2 0.129 4.087 3.960 -0.004 0.000 0.290 562 G HA3 0.129 4.087 3.960 -0.004 0.000 0.290 562 G C -0.662 174.197 174.900 -0.068 0.000 1.019 562 G CA -0.590 44.534 45.100 0.040 0.000 0.790 562 G HN 0.452 nan 8.290 nan 0.000 0.452 563 R N 0.942 121.394 120.500 -0.080 0.000 2.446 563 R HA 0.223 4.561 4.340 -0.004 0.000 0.314 563 R C 1.633 177.738 176.300 -0.324 0.000 1.003 563 R CA -0.252 55.687 56.100 -0.269 0.000 1.018 563 R CB 0.172 30.269 30.300 -0.339 0.000 0.945 563 R HN 0.199 nan 8.270 nan 0.000 0.419 564 M N 3.439 122.808 119.600 -0.386 0.000 2.195 564 M HA -0.275 4.203 4.480 -0.004 0.000 0.260 564 M C 2.002 178.135 176.300 -0.279 0.000 1.066 564 M CA 1.847 56.973 55.300 -0.290 0.000 1.089 564 M CB -0.238 32.162 32.600 -0.333 0.000 1.377 564 M HN 0.615 nan 8.290 nan 0.000 0.411 565 K N 0.120 120.250 120.400 -0.450 0.000 2.218 565 K HA -0.183 4.134 4.320 -0.004 0.000 0.205 565 K C 1.173 177.397 176.600 -0.627 0.000 1.046 565 K CA 1.468 57.426 56.287 -0.547 0.000 0.933 565 K CB 0.113 32.142 32.500 -0.785 0.000 0.728 565 K HN 0.200 nan 8.250 nan 0.000 0.454 566 F N -0.650 119.003 119.950 -0.496 0.000 2.480 566 F HA 0.123 4.647 4.527 -0.004 0.000 0.280 566 F C 2.433 178.164 175.800 -0.115 0.000 1.002 566 F CA 0.386 58.000 58.000 -0.643 0.000 1.325 566 F CB -0.985 37.702 39.000 -0.522 0.000 1.134 566 F HN -0.146 nan 8.300 nan 0.000 0.646 567 T N 1.080 115.711 114.554 0.129 0.000 2.665 567 T HA -0.207 4.141 4.350 -0.004 0.000 0.268 567 T C 2.124 176.963 174.700 0.232 0.000 1.035 567 T CA 1.818 64.024 62.100 0.176 0.000 1.151 567 T CB -0.291 68.673 68.868 0.161 0.000 0.862 567 T HN 0.133 nan 8.240 nan 0.000 0.438 568 R N 0.606 121.183 120.500 0.127 0.000 2.073 568 R HA -0.048 4.289 4.340 -0.004 0.000 0.234 568 R C -0.431 175.955 176.300 0.144 0.000 1.134 568 R CA 1.430 57.601 56.100 0.117 0.000 0.952 568 R CB -1.245 29.070 30.300 0.025 0.000 0.850 568 R HN 0.368 nan 8.270 nan 0.000 0.433 569 P HA -0.104 nan 4.420 nan 0.000 0.217 569 P C 1.123 178.518 177.300 0.160 0.000 1.151 569 P CA 1.094 64.305 63.100 0.186 0.000 0.828 569 P CB 0.036 31.948 31.700 0.354 0.000 0.788 570 L N -2.725 118.616 121.223 0.198 0.000 2.083 570 L HA -0.153 4.185 4.340 -0.004 0.000 0.209 570 L C 2.242 179.083 176.870 -0.049 0.000 1.083 570 L CA 1.379 56.243 54.840 0.041 0.000 0.752 570 L CB -0.746 41.313 42.059 -0.001 0.000 0.899 570 L HN -0.073 nan 8.230 nan 0.000 0.433 571 F N 0.235 120.196 119.950 0.019 0.000 2.206 571 F HA -0.158 4.367 4.527 -0.004 0.000 0.298 571 F C 2.599 178.380 175.800 -0.031 0.000 1.090 571 F CA 1.310 59.299 58.000 -0.018 0.000 1.323 571 F CB -0.215 38.759 39.000 -0.043 0.000 1.028 571 F HN -0.084 nan 8.300 nan 0.000 0.492 572 K N 0.191 120.689 120.400 0.163 0.000 2.057 572 K HA -0.162 4.155 4.320 -0.004 0.000 0.206 572 K C 1.626 178.260 176.600 0.056 0.000 1.050 572 K CA 1.769 58.103 56.287 0.078 0.000 0.935 572 K CB -0.104 32.419 32.500 0.038 0.000 0.715 572 K HN 0.079 nan 8.250 nan 0.000 0.439 573 D N 0.640 121.059 120.400 0.032 0.000 2.149 573 D HA -0.120 4.517 4.640 -0.004 0.000 0.201 573 D C 1.911 178.244 176.300 0.056 0.000 0.972 573 D CA 0.884 54.888 54.000 0.007 0.000 0.835 573 D CB -0.013 40.752 40.800 -0.058 0.000 0.966 573 D HN 0.230 nan 8.370 nan 0.000 0.476 574 L N 0.650 121.903 121.223 0.049 0.000 2.141 574 L HA -0.070 4.267 4.340 -0.004 0.000 0.209 574 L C 2.416 179.355 176.870 0.115 0.000 1.094 574 L CA 0.877 55.766 54.840 0.082 0.000 0.763 574 L CB -0.288 41.762 42.059 -0.015 0.000 0.908 574 L HN -0.037 nan 8.230 nan 0.000 0.437 575 A N -0.262 122.619 122.820 0.102 0.000 2.066 575 A HA 0.054 4.371 4.320 -0.004 0.000 0.218 575 A C 2.338 180.064 177.584 0.236 0.000 1.157 575 A CA 1.277 53.378 52.037 0.107 0.000 0.670 575 A CB -0.375 18.656 19.000 0.053 0.000 0.804 575 A HN 0.359 nan 8.150 nan 0.000 0.453 576 A N -1.677 121.245 122.820 0.170 0.000 2.178 576 A HA 0.361 4.678 4.320 -0.004 0.000 0.211 576 A C 0.470 178.182 177.584 0.213 0.000 1.157 576 A CA -0.030 52.099 52.037 0.153 0.000 0.780 576 A CB -0.225 18.824 19.000 0.081 0.000 0.828 576 A HN 0.451 nan 8.150 nan 0.000 0.476 577 F N 2.418 122.391 119.950 0.039 0.000 2.350 577 F HA 0.346 4.870 4.527 -0.005 0.000 0.365 577 F C 0.876 176.705 175.800 0.049 0.000 1.122 577 F CA -1.986 56.025 58.000 0.019 0.000 1.139 577 F CB 0.563 39.558 39.000 -0.008 0.000 1.220 577 F HN 0.324 nan 8.300 nan 0.000 0.499 578 D N 3.311 123.738 120.400 0.046 0.000 2.220 578 D HA -0.269 4.368 4.640 -0.004 0.000 0.198 578 D C 1.275 177.396 176.300 -0.299 0.000 1.001 578 D CA 1.549 55.483 54.000 -0.111 0.000 0.875 578 D CB -0.066 40.695 40.800 -0.065 0.000 0.921 578 D HN 0.358 nan 8.370 nan 0.000 0.454 579 K N -0.047 119.883 120.400 -0.783 0.000 2.155 579 K HA 0.031 4.348 4.320 -0.004 0.000 0.203 579 K C 2.137 178.450 176.600 -0.477 0.000 1.052 579 K CA 1.319 57.175 56.287 -0.719 0.000 0.948 579 K CB -0.201 31.655 32.500 -1.072 0.000 0.728 579 K HN 0.472 nan 8.250 nan 0.000 0.448 580 S N -0.458 114.959 115.700 -0.472 0.000 2.524 580 S HA 0.014 4.481 4.470 -0.004 0.000 0.215 580 S C 1.686 176.258 174.600 -0.046 0.000 0.986 580 S CA -0.300 57.797 58.200 -0.172 0.000 0.911 580 S CB -0.250 62.910 63.200 -0.067 0.000 0.805 580 S HN 0.264 nan 8.310 nan 0.000 0.501 581 H N 2.959 121.970 119.070 -0.098 0.000 2.255 581 H HA -0.181 4.372 4.556 -0.005 0.000 0.290 581 H C 1.090 176.419 175.328 0.001 0.000 1.087 581 H CA 2.609 58.643 56.048 -0.024 0.000 1.213 581 H CB -0.536 29.207 29.762 -0.030 0.000 1.349 581 H HN 0.336 nan 8.280 nan 0.000 0.487 582 D N 0.279 120.743 120.400 0.107 0.000 2.116 582 D HA -0.191 4.446 4.640 -0.004 0.000 0.193 582 D C 2.340 178.639 176.300 -0.002 0.000 0.998 582 D CA 1.310 55.346 54.000 0.060 0.000 0.836 582 D CB -0.560 40.283 40.800 0.072 0.000 0.951 582 D HN 0.546 nan 8.370 nan 0.000 0.449 583 Q N 0.028 119.826 119.800 -0.004 0.000 2.167 583 Q HA -0.055 4.283 4.340 -0.004 0.000 0.202 583 Q C 1.990 178.018 176.000 0.048 0.000 0.970 583 Q CA 1.260 57.070 55.803 0.013 0.000 0.855 583 Q CB 0.008 28.742 28.738 -0.008 0.000 0.911 583 Q HN 0.224 nan 8.270 nan 0.000 0.438 584 A N -0.329 122.511 122.820 0.033 0.000 1.930 584 A HA -0.113 4.205 4.320 -0.004 0.000 0.217 584 A C 2.145 179.869 177.584 0.232 0.000 1.175 584 A CA 1.368 53.501 52.037 0.159 0.000 0.627 584 A CB -0.568 18.505 19.000 0.121 0.000 0.815 584 A HN 0.290 nan 8.150 nan 0.000 0.443 585 V N -0.080 119.857 119.914 0.037 0.000 2.307 585 V HA -0.233 3.884 4.120 -0.004 0.000 0.245 585 V C 2.627 178.794 176.094 0.122 0.000 1.045 585 V CA 2.105 64.430 62.300 0.042 0.000 1.024 585 V CB -0.778 31.004 31.823 -0.068 0.000 0.651 585 V HN 0.504 nan 8.190 nan 0.000 0.449 586 R N -0.336 120.217 120.500 0.089 0.000 2.091 586 R HA -0.156 4.182 4.340 -0.004 0.000 0.238 586 R C 2.411 178.791 176.300 0.134 0.000 1.136 586 R CA 1.981 58.133 56.100 0.087 0.000 0.959 586 R CB -0.659 29.678 30.300 0.062 0.000 0.856 586 R HN 0.497 nan 8.270 nan 0.000 0.437 587 T N 0.217 114.892 114.554 0.203 0.000 2.777 587 T HA -0.189 4.158 4.350 -0.004 0.000 0.266 587 T C 1.416 176.326 174.700 0.350 0.000 1.040 587 T CA 1.350 63.631 62.100 0.301 0.000 1.141 587 T CB -0.379 68.662 68.868 0.288 0.000 0.868 587 T HN 0.321 nan 8.240 nan 0.000 0.444 588 Y N 2.218 122.612 120.300 0.158 0.000 2.145 588 Y HA -0.168 4.380 4.550 -0.004 0.000 0.286 588 Y C 2.514 178.411 175.900 -0.005 0.000 1.145 588 Y CA 1.316 59.371 58.100 -0.076 0.000 1.148 588 Y CB -0.426 37.821 38.460 -0.354 0.000 0.981 588 Y HN 0.085 nan 8.280 nan 0.000 0.507 589 Q N 0.484 120.195 119.800 -0.148 0.000 2.170 589 Q HA -0.183 4.155 4.340 -0.004 0.000 0.203 589 Q C 2.031 177.931 176.000 -0.165 0.000 0.976 589 Q CA 1.863 57.537 55.803 -0.215 0.000 0.858 589 Q CB -0.295 28.418 28.738 -0.042 0.000 0.907 589 Q HN 0.706 nan 8.270 nan 0.000 0.433 590 E N -0.509 119.657 120.200 -0.058 0.000 2.158 590 E HA -0.126 4.221 4.350 -0.004 0.000 0.191 590 E C 1.467 177.958 176.600 -0.180 0.000 0.982 590 E CA 0.666 57.012 56.400 -0.090 0.000 0.823 590 E CB 0.028 29.697 29.700 -0.051 0.000 0.766 590 E HN 0.502 nan 8.360 nan 0.000 0.468 591 H N 0.067 119.078 119.070 -0.098 0.000 2.562 591 H HA 0.103 4.656 4.556 -0.005 0.000 0.267 591 H C 1.704 176.946 175.328 -0.143 0.000 0.959 591 H CA 0.506 56.512 56.048 -0.070 0.000 1.204 591 H CB 0.270 30.042 29.762 0.018 0.000 1.430 591 H HN -0.050 nan 8.280 nan 0.000 0.545 592 K N 1.204 121.472 120.400 -0.220 0.000 2.030 592 K HA -0.301 4.016 4.320 -0.004 0.000 0.222 592 K C 2.254 178.765 176.600 -0.148 0.000 1.056 592 K CA 1.903 57.986 56.287 -0.339 0.000 0.957 592 K CB -0.334 31.817 32.500 -0.582 0.000 0.727 592 K HN 0.296 nan 8.250 nan 0.000 0.452 593 A N 0.181 122.924 122.820 -0.128 0.000 2.042 593 A HA -0.177 4.140 4.320 -0.004 0.000 0.222 593 A C 1.876 179.438 177.584 -0.036 0.000 1.167 593 A CA 2.363 54.355 52.037 -0.075 0.000 0.649 593 A CB -0.529 18.427 19.000 -0.073 0.000 0.809 593 A HN 0.581 nan 8.150 nan 0.000 0.457 594 S N -2.130 113.560 115.700 -0.018 0.000 2.568 594 S HA 0.536 5.003 4.470 -0.004 0.000 0.232 594 S C 0.401 175.041 174.600 0.067 0.000 0.975 594 S CA -0.490 57.726 58.200 0.027 0.000 0.949 594 S CB -0.254 62.963 63.200 0.028 0.000 0.829 594 S HN 0.417 nan 8.310 nan 0.000 0.479 595 M N 1.538 121.172 119.600 0.056 0.000 2.368 595 M HA 0.346 4.823 4.480 -0.004 0.000 0.311 595 M C 0.288 176.638 176.300 0.084 0.000 1.168 595 M CA -0.665 54.692 55.300 0.096 0.000 1.044 595 M CB 0.495 33.149 32.600 0.089 0.000 1.506 595 M HN 0.331 nan 8.290 nan 0.000 0.475 596 H N 3.115 122.207 119.070 0.037 0.000 2.964 596 H HA 0.026 4.579 4.556 -0.005 0.000 0.328 596 H C -1.702 173.611 175.328 -0.026 0.000 1.030 596 H CA -0.427 55.623 56.048 0.004 0.000 1.445 596 H CB 0.703 30.475 29.762 0.017 0.000 1.449 596 H HN 0.256 nan 8.280 nan 0.000 0.581 597 P HA -0.255 nan 4.420 nan 0.000 0.216 597 P C 1.383 178.666 177.300 -0.029 0.000 1.157 597 P CA 1.477 64.474 63.100 -0.172 0.000 0.880 597 P CB 0.175 31.718 31.700 -0.262 0.000 0.791 598 V N 0.241 120.202 119.914 0.078 0.000 2.427 598 V HA -0.177 3.940 4.120 -0.004 0.000 0.248 598 V C 2.699 178.830 176.094 0.062 0.000 1.051 598 V CA 2.541 64.893 62.300 0.086 0.000 1.048 598 V CB -1.948 29.928 31.823 0.088 0.000 0.666 598 V HN 0.196 nan 8.190 nan 0.000 0.456 599 T N 0.505 115.115 114.554 0.094 0.000 2.777 599 T HA -0.127 4.220 4.350 -0.004 0.000 0.266 599 T C 2.115 176.850 174.700 0.058 0.000 1.040 599 T CA 1.509 63.622 62.100 0.022 0.000 1.141 599 T CB -0.423 68.460 68.868 0.025 0.000 0.868 599 T HN 0.562 nan 8.240 nan 0.000 0.444 600 A N 2.324 125.201 122.820 0.095 0.000 1.883 600 A HA -0.114 4.203 4.320 -0.004 0.000 0.217 600 A C 2.313 179.988 177.584 0.151 0.000 1.186 600 A CA 1.747 53.882 52.037 0.163 0.000 0.624 600 A CB -0.785 18.264 19.000 0.082 0.000 0.822 600 A HN 0.379 nan 8.150 nan 0.000 0.444 601 M N -0.129 119.517 119.600 0.076 0.000 2.115 601 M HA -0.164 4.313 4.480 -0.004 0.000 0.258 601 M C 2.155 178.457 176.300 0.004 0.000 1.071 601 M CA 2.015 57.343 55.300 0.047 0.000 1.100 601 M CB -0.878 31.744 32.600 0.037 0.000 1.292 601 M HN 0.444 nan 8.290 nan 0.000 0.415 602 L N -0.472 120.744 121.223 -0.011 0.000 2.079 602 L HA -0.221 4.116 4.340 -0.004 0.000 0.210 602 L C 2.404 179.216 176.870 -0.097 0.000 1.081 602 L CA 0.907 55.725 54.840 -0.037 0.000 0.752 602 L CB -0.784 41.258 42.059 -0.027 0.000 0.896 602 L HN 0.172 nan 8.230 nan 0.000 0.433 603 V N 0.028 119.853 119.914 -0.147 0.000 2.427 603 V HA -0.152 3.965 4.120 -0.004 0.000 0.248 603 V C 2.609 178.368 176.094 -0.558 0.000 1.051 603 V CA 1.797 63.897 62.300 -0.332 0.000 1.048 603 V CB -1.086 30.489 31.823 -0.414 0.000 0.666 603 V HN 0.560 nan 8.190 nan 0.000 0.456 604 G N -0.404 108.121 108.800 -0.458 0.000 2.422 604 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.218 604 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.218 604 G C 1.702 176.466 174.900 -0.227 0.000 1.146 604 G CA 0.783 45.639 45.100 -0.407 0.000 0.769 604 G HN 0.447 nan 8.290 nan 0.000 0.547 605 K N 0.173 120.491 120.400 -0.136 0.000 2.031 605 K HA -0.045 4.273 4.320 -0.004 0.000 0.205 605 K C 2.202 178.752 176.600 -0.083 0.000 1.049 605 K CA 1.208 57.452 56.287 -0.072 0.000 0.939 605 K CB -0.074 32.411 32.500 -0.024 0.000 0.717 605 K HN 0.153 nan 8.250 nan 0.000 0.438 606 D N 1.087 121.422 120.400 -0.108 0.000 2.123 606 D HA -0.172 4.465 4.640 -0.004 0.000 0.196 606 D C 1.853 178.094 176.300 -0.097 0.000 0.992 606 D CA 1.146 55.095 54.000 -0.086 0.000 0.833 606 D CB -0.104 40.647 40.800 -0.082 0.000 0.954 606 D HN 0.174 nan 8.370 nan 0.000 0.455 607 L N -0.097 121.017 121.223 -0.181 0.000 2.478 607 L HA 0.003 4.340 4.340 -0.004 0.000 0.223 607 L C 0.341 177.152 176.870 -0.098 0.000 1.140 607 L CA 0.296 55.038 54.840 -0.163 0.000 0.842 607 L CB -0.206 41.666 42.059 -0.311 0.000 0.953 607 L HN 0.002 nan 8.230 nan 0.000 0.452 608 K N 0.402 120.745 120.400 -0.094 0.000 3.239 608 K HA -0.134 4.183 4.320 -0.004 0.000 0.270 608 K C -0.562 176.021 176.600 -0.028 0.000 1.049 608 K CA 0.437 56.700 56.287 -0.041 0.000 0.769 608 K CB -1.797 30.700 32.500 -0.005 0.000 1.305 608 K HN 0.301 nan 8.250 nan 0.000 0.469 609 V N -2.878 117.006 119.914 -0.051 0.000 3.001 609 V HA 0.801 4.918 4.120 -0.004 0.000 0.314 609 V C 0.212 176.324 176.094 0.031 0.000 1.099 609 V CA -0.374 61.926 62.300 0.001 0.000 0.989 609 V CB 2.239 34.073 31.823 0.019 0.000 1.040 609 V HN 0.505 nan 8.190 nan 0.000 0.434 610 D N 0.000 120.431 120.400 0.052 0.000 6.856 610 D HA 0.000 4.637 4.640 -0.004 0.000 0.175 610 D CA 0.000 54.031 54.000 0.052 0.000 0.868 610 D CB 0.000 40.845 40.800 0.075 0.000 0.688 610 D HN 0.000 nan 8.370 nan 0.000 0.683