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 1pkx_1_D DATA FIRST_RESID 4 DATA SEQUENCE GQLALFSVSD KTGLVEFARN LTALGLNLVA SGGTAKALRD AGLAVRDVSE DATA SEQUENCE LTGFPEMLGG RVKTLHPAVH AGILARNIPE DNADMARLDF NLIRVVACNL DATA SEQUENCE YPFVKTVASP GVTVEEAVEQ IDIGGVTLLR AAAKNHARVT VVCEPEDYVV DATA SEQUENCE VSTEMQSSES KDTSLETRRQ LALKAFTHTA QYDEAISDYF RKQYSKGVSQ DATA SEQUENCE MPLRYGMNPH QTPAQLYTLQ PKLPITVLNG APGFINLCDA LNAWQLVKEL DATA SEQUENCE KEALGIPAAA SFKHVSPAGA AVGIPLSEDE AKVCMVYDLY KTLTPISAAY DATA SEQUENCE ARARGADRMS SFGDFVALSD VCDVPTAKII SREVSDGIIA PGYEEEALTI DATA SEQUENCE LSKKKNGNYC VLQMDQSYKP DENEVRTLFG LHLSQKRNNG VVDKSLFSNV DATA SEQUENCE VTKNKDLPES ALRDLIVATI AVKYTQSNSV CYAKNGQVIG IGAGQQSRIH DATA SEQUENCE CTRLAGDKAN YWWLRHHPQV LSMKFKTGVK RAEISNAIDQ YVTGTIGEDE DATA SEQUENCE DLIKWKALFE EVPELLTEAE KKEWVEKLTE VSISSDAFFP FRDNVDRAKR DATA SEQUENCE SGVAYIAAPS GSAADKVVIE ACDELGIILA HTNLRLFHH 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 4 G C 0.000 174.894 174.900 -0.010 0.000 0.946 4 G CA 0.000 45.095 45.100 -0.008 0.000 0.502 5 Q N 0.574 120.364 119.800 -0.017 0.000 2.260 5 Q HA 0.603 4.938 4.340 -0.007 0.000 0.238 5 Q C 0.270 176.247 176.000 -0.038 0.000 0.948 5 Q CA -0.440 55.348 55.803 -0.024 0.000 0.895 5 Q CB 1.790 30.512 28.738 -0.025 0.000 1.218 5 Q HN 0.558 nan 8.270 nan 0.000 0.470 6 L N 0.771 121.965 121.223 -0.048 0.000 2.379 6 L HA 0.667 5.003 4.340 -0.007 0.000 0.269 6 L C -0.331 176.471 176.870 -0.114 0.000 1.084 6 L CA -0.806 53.994 54.840 -0.067 0.000 0.802 6 L CB 1.068 43.087 42.059 -0.067 0.000 1.175 6 L HN 0.558 nan 8.230 nan 0.000 0.448 7 A N 2.900 125.636 122.820 -0.141 0.000 2.319 7 A HA 0.683 4.999 4.320 -0.007 0.000 0.310 7 A C -1.205 176.141 177.584 -0.397 0.000 1.152 7 A CA -0.411 51.439 52.037 -0.312 0.000 0.783 7 A CB 1.285 20.116 19.000 -0.281 0.000 1.184 7 A HN 0.522 nan 8.150 nan 0.000 0.474 8 L N 3.089 124.011 121.223 -0.502 0.000 2.296 8 L HA 0.841 5.176 4.340 -0.007 0.000 0.286 8 L C -1.596 174.961 176.870 -0.522 0.000 1.023 8 L CA -0.328 54.298 54.840 -0.357 0.000 0.812 8 L CB 0.459 42.388 42.059 -0.217 0.000 1.223 8 L HN 0.528 nan 8.230 nan 0.000 0.421 9 F N 3.119 123.055 119.950 -0.025 0.000 2.495 9 F HA 0.688 5.210 4.527 -0.007 0.000 0.327 9 F C 0.409 176.212 175.800 0.006 0.000 1.103 9 F CA -0.641 57.362 58.000 0.006 0.000 0.949 9 F CB 2.200 41.201 39.000 0.002 0.000 1.142 9 F HN 0.417 nan 8.300 nan 0.000 0.457 10 S N 2.623 118.438 115.700 0.191 0.000 2.417 10 S HA 0.522 4.987 4.470 -0.007 0.000 0.189 10 S C -1.555 173.116 174.600 0.118 0.000 1.005 10 S CA -0.579 57.691 58.200 0.118 0.000 1.116 10 S CB 0.153 63.388 63.200 0.058 0.000 1.343 10 S HN 0.674 nan 8.310 nan 0.000 0.406 11 V N 1.994 121.991 119.914 0.137 0.000 2.680 11 V HA 0.798 4.913 4.120 -0.007 0.000 0.309 11 V C 1.030 177.191 176.094 0.112 0.000 1.052 11 V CA -0.186 62.194 62.300 0.134 0.000 0.908 11 V CB 1.454 33.387 31.823 0.184 0.000 1.001 11 V HN 0.552 nan 8.190 nan 0.000 0.431 12 S N 1.636 117.409 115.700 0.120 0.000 2.356 12 S HA -0.041 4.424 4.470 -0.007 0.000 0.219 12 S C 0.828 175.511 174.600 0.137 0.000 1.036 12 S CA 1.228 59.512 58.200 0.139 0.000 0.965 12 S CB -0.267 63.062 63.200 0.216 0.000 0.864 12 S HN 1.044 nan 8.310 nan 0.000 0.471 13 D N 1.178 121.655 120.400 0.129 0.000 2.316 13 D HA 0.236 4.871 4.640 -0.007 0.000 0.245 13 D C -0.025 176.339 176.300 0.107 0.000 1.171 13 D CA -0.044 54.019 54.000 0.104 0.000 0.856 13 D CB 1.003 41.847 40.800 0.072 0.000 1.090 13 D HN 0.264 nan 8.370 nan 0.000 0.476 14 K N 2.097 122.556 120.400 0.098 0.000 2.446 14 K HA 0.113 4.429 4.320 -0.007 0.000 0.203 14 K C 0.257 176.926 176.600 0.114 0.000 1.027 14 K CA -0.216 56.135 56.287 0.106 0.000 1.166 14 K CB 0.321 32.862 32.500 0.069 0.000 0.869 14 K HN 0.327 nan 8.250 nan 0.000 0.504 15 T N 1.111 115.728 114.554 0.104 0.000 2.908 15 T HA 0.068 4.414 4.350 -0.007 0.000 0.301 15 T C 1.299 176.108 174.700 0.181 0.000 1.019 15 T CA 1.203 63.359 62.100 0.093 0.000 1.152 15 T CB 0.775 69.667 68.868 0.039 0.000 0.966 15 T HN 0.652 nan 8.240 nan 0.000 0.540 16 G N 2.406 111.304 108.800 0.163 0.000 2.196 16 G HA2 -0.309 3.647 3.960 -0.007 0.000 0.268 16 G HA3 -0.309 3.647 3.960 -0.007 0.000 0.268 16 G C 0.905 175.947 174.900 0.237 0.000 0.975 16 G CA 0.628 45.875 45.100 0.245 0.000 0.648 16 G HN 0.707 nan 8.290 nan 0.000 0.538 17 L N 0.683 122.009 121.223 0.171 0.000 1.989 17 L HA 0.033 4.369 4.340 -0.007 0.000 0.211 17 L C 2.868 179.666 176.870 -0.119 0.000 1.071 17 L CA 2.836 57.678 54.840 0.003 0.000 0.749 17 L CB -0.727 41.336 42.059 0.006 0.000 0.890 17 L HN 0.226 nan 8.230 nan 0.000 0.431 18 V N 0.008 119.874 119.914 -0.080 0.000 2.287 18 V HA -0.338 3.778 4.120 -0.007 0.000 0.248 18 V C 2.629 178.676 176.094 -0.079 0.000 1.053 18 V CA 2.166 64.400 62.300 -0.109 0.000 1.027 18 V CB -0.738 31.047 31.823 -0.064 0.000 0.646 18 V HN 0.664 nan 8.190 nan 0.000 0.447 19 E N -0.582 119.613 120.200 -0.007 0.000 2.110 19 E HA -0.255 4.091 4.350 -0.007 0.000 0.193 19 E C 2.088 178.721 176.600 0.055 0.000 0.988 19 E CA 1.432 57.848 56.400 0.026 0.000 0.804 19 E CB -0.213 29.528 29.700 0.069 0.000 0.745 19 E HN 0.510 nan 8.360 nan 0.000 0.458 20 F N 1.235 121.086 119.950 -0.165 0.000 2.102 20 F HA -0.067 4.456 4.527 -0.007 0.000 0.298 20 F C 2.088 177.793 175.800 -0.158 0.000 1.105 20 F CA 1.512 59.376 58.000 -0.228 0.000 1.239 20 F CB -0.919 37.675 39.000 -0.677 0.000 0.991 20 F HN 0.104 nan 8.300 nan 0.000 0.474 21 A N 0.730 123.365 122.820 -0.309 0.000 1.908 21 A HA -0.235 4.081 4.320 -0.007 0.000 0.218 21 A C 2.497 179.936 177.584 -0.242 0.000 1.181 21 A CA 1.833 53.623 52.037 -0.411 0.000 0.627 21 A CB -0.938 17.672 19.000 -0.650 0.000 0.818 21 A HN 0.455 nan 8.150 nan 0.000 0.445 22 R N -0.342 120.056 120.500 -0.171 0.000 2.081 22 R HA -0.171 4.164 4.340 -0.007 0.000 0.235 22 R C 1.711 177.957 176.300 -0.089 0.000 1.131 22 R CA 1.753 57.788 56.100 -0.107 0.000 0.960 22 R CB -0.395 29.862 30.300 -0.071 0.000 0.856 22 R HN 0.518 nan 8.270 nan 0.000 0.436 23 N N 0.935 119.585 118.700 -0.083 0.000 2.120 23 N HA -0.156 4.579 4.740 -0.007 0.000 0.188 23 N C 1.896 177.345 175.510 -0.102 0.000 1.024 23 N CA 1.202 54.218 53.050 -0.057 0.000 0.852 23 N CB -0.250 38.241 38.487 0.007 0.000 1.003 23 N HN 0.282 nan 8.380 nan 0.000 0.424 24 L N 0.653 121.757 121.223 -0.198 0.000 2.093 24 L HA -0.122 4.214 4.340 -0.007 0.000 0.208 24 L C 2.410 179.216 176.870 -0.107 0.000 1.085 24 L CA 1.456 56.180 54.840 -0.194 0.000 0.755 24 L CB -0.897 40.988 42.059 -0.289 0.000 0.904 24 L HN 0.320 nan 8.230 nan 0.000 0.435 25 T N -2.806 111.693 114.554 -0.092 0.000 2.904 25 T HA -0.051 4.294 4.350 -0.007 0.000 0.267 25 T C 1.906 176.578 174.700 -0.047 0.000 1.059 25 T CA 0.793 62.857 62.100 -0.061 0.000 1.137 25 T CB -0.278 68.555 68.868 -0.058 0.000 0.879 25 T HN 0.281 nan 8.240 nan 0.000 0.467 26 A N 1.099 123.891 122.820 -0.047 0.000 2.121 26 A HA 0.317 4.633 4.320 -0.007 0.000 0.218 26 A C 2.174 179.742 177.584 -0.027 0.000 1.154 26 A CA 0.688 52.706 52.037 -0.031 0.000 0.679 26 A CB -0.739 18.246 19.000 -0.025 0.000 0.795 26 A HN 0.565 nan 8.150 nan 0.000 0.458 27 L N -1.697 119.505 121.223 -0.035 0.000 2.592 27 L HA 0.237 4.572 4.340 -0.007 0.000 0.227 27 L C 1.648 178.501 176.870 -0.027 0.000 1.127 27 L CA 0.620 55.444 54.840 -0.028 0.000 0.884 27 L CB 0.163 42.203 42.059 -0.033 0.000 1.065 27 L HN 0.549 nan 8.230 nan 0.000 0.457 28 G N -0.349 108.433 108.800 -0.030 0.000 2.179 28 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.220 28 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.220 28 G C 0.217 175.100 174.900 -0.029 0.000 0.990 28 G CA -0.452 44.632 45.100 -0.025 0.000 0.646 28 G HN 0.129 nan 8.290 nan 0.000 0.517 29 L N 0.463 121.662 121.223 -0.039 0.000 2.421 29 L HA 0.469 4.804 4.340 -0.007 0.000 0.263 29 L C 0.373 177.227 176.870 -0.028 0.000 1.122 29 L CA -0.735 54.081 54.840 -0.040 0.000 0.804 29 L CB 0.820 42.841 42.059 -0.062 0.000 1.150 29 L HN 0.138 nan 8.230 nan 0.000 0.457 30 N N 1.321 120.009 118.700 -0.020 0.000 2.443 30 N HA 0.540 5.275 4.740 -0.007 0.000 0.295 30 N C -1.124 174.397 175.510 0.018 0.000 1.076 30 N CA -0.562 52.484 53.050 -0.006 0.000 0.919 30 N CB 1.434 39.916 38.487 -0.008 0.000 1.176 30 N HN 0.340 nan 8.380 nan 0.000 0.487 31 L N 1.347 122.597 121.223 0.044 0.000 2.307 31 L HA 0.666 5.001 4.340 -0.007 0.000 0.282 31 L C -0.639 176.287 176.870 0.094 0.000 1.051 31 L CA -0.959 53.959 54.840 0.130 0.000 0.804 31 L CB 0.981 43.103 42.059 0.105 0.000 1.197 31 L HN 0.145 nan 8.230 nan 0.000 0.431 32 V N 1.810 121.804 119.914 0.133 0.000 2.709 32 V HA 0.945 5.060 4.120 -0.007 0.000 0.308 32 V C -0.138 176.034 176.094 0.130 0.000 1.062 32 V CA -0.338 62.006 62.300 0.073 0.000 0.901 32 V CB 1.630 33.454 31.823 0.003 0.000 1.003 32 V HN 1.012 nan 8.190 nan 0.000 0.425 33 A N 3.376 126.247 122.820 0.084 0.000 2.467 33 A HA 1.029 5.344 4.320 -0.007 0.000 0.301 33 A C -0.626 176.983 177.584 0.041 0.000 1.126 33 A CA 0.054 52.146 52.037 0.092 0.000 0.632 33 A CB 1.779 20.855 19.000 0.127 0.000 1.331 33 A HN 1.543 nan 8.150 nan 0.000 0.482 34 S N -1.922 113.801 115.700 0.038 0.000 2.727 34 S HA 0.862 5.327 4.470 -0.007 0.000 0.278 34 S C 0.705 175.318 174.600 0.023 0.000 1.186 34 S CA 0.340 58.553 58.200 0.023 0.000 0.836 34 S CB 0.435 63.646 63.200 0.018 0.000 1.186 34 S HN 2.866 nan 8.310 nan 0.000 0.499 35 G N 0.765 109.575 108.800 0.017 0.000 2.594 35 G HA2 -0.074 3.882 3.960 -0.007 0.000 0.297 35 G HA3 -0.074 3.882 3.960 -0.007 0.000 0.297 35 G C 1.013 175.919 174.900 0.011 0.000 1.273 35 G CA 0.650 45.759 45.100 0.015 0.000 0.974 35 G HN 1.982 nan 8.290 nan 0.000 0.552 36 G N -1.620 107.187 108.800 0.011 0.000 2.448 36 G HA2 0.081 4.036 3.960 -0.007 0.000 0.219 36 G HA3 0.081 4.036 3.960 -0.007 0.000 0.219 36 G C 1.812 176.718 174.900 0.009 0.000 1.127 36 G CA 2.332 47.437 45.100 0.007 0.000 0.766 36 G HN 1.002 nan 8.290 nan 0.000 0.552 37 T N 1.554 116.121 114.554 0.021 0.000 2.701 37 T HA 0.053 4.398 4.350 -0.007 0.000 0.263 37 T C 2.871 177.566 174.700 -0.009 0.000 1.040 37 T CA 1.416 63.529 62.100 0.021 0.000 1.147 37 T CB -0.396 68.510 68.868 0.064 0.000 0.865 37 T HN 0.351 nan 8.240 nan 0.000 0.426 38 A N 1.952 124.773 122.820 0.002 0.000 1.883 38 A HA -0.173 4.143 4.320 -0.007 0.000 0.217 38 A C 2.252 179.821 177.584 -0.026 0.000 1.186 38 A CA 1.895 53.924 52.037 -0.013 0.000 0.624 38 A CB -0.574 18.426 19.000 0.001 0.000 0.822 38 A HN 0.386 nan 8.150 nan 0.000 0.444 39 K N -0.149 120.242 120.400 -0.016 0.000 2.057 39 K HA -0.116 4.200 4.320 -0.007 0.000 0.207 39 K C 2.177 178.761 176.600 -0.026 0.000 1.049 39 K CA 1.388 57.664 56.287 -0.018 0.000 0.931 39 K CB -0.404 32.090 32.500 -0.011 0.000 0.714 39 K HN 0.358 nan 8.250 nan 0.000 0.440 40 A N 1.690 124.493 122.820 -0.027 0.000 1.908 40 A HA -0.139 4.177 4.320 -0.007 0.000 0.218 40 A C 2.273 179.822 177.584 -0.058 0.000 1.181 40 A CA 1.335 53.351 52.037 -0.034 0.000 0.627 40 A CB -0.572 18.412 19.000 -0.027 0.000 0.818 40 A HN 0.332 nan 8.150 nan 0.000 0.445 41 L N -1.270 119.903 121.223 -0.083 0.000 2.046 41 L HA -0.177 4.158 4.340 -0.007 0.000 0.208 41 L C 2.908 179.729 176.870 -0.082 0.000 1.077 41 L CA 1.411 56.181 54.840 -0.117 0.000 0.747 41 L CB -0.455 41.504 42.059 -0.166 0.000 0.896 41 L HN 0.363 nan 8.230 nan 0.000 0.432 42 R N -0.152 120.312 120.500 -0.059 0.000 2.092 42 R HA -0.128 4.208 4.340 -0.007 0.000 0.231 42 R C 1.757 178.035 176.300 -0.036 0.000 1.119 42 R CA 1.298 57.371 56.100 -0.044 0.000 0.970 42 R CB -0.317 29.964 30.300 -0.032 0.000 0.864 42 R HN 0.348 nan 8.270 nan 0.000 0.440 43 D N 0.595 120.976 120.400 -0.033 0.000 2.264 43 D HA -0.086 4.550 4.640 -0.007 0.000 0.208 43 D C 1.253 177.536 176.300 -0.029 0.000 0.966 43 D CA 0.988 54.972 54.000 -0.026 0.000 0.864 43 D CB 0.034 40.821 40.800 -0.021 0.000 0.933 43 D HN 0.227 nan 8.370 nan 0.000 0.499 44 A N -0.403 122.394 122.820 -0.039 0.000 2.278 44 A HA 0.456 4.771 4.320 -0.007 0.000 0.212 44 A C 1.687 179.246 177.584 -0.042 0.000 1.213 44 A CA 0.770 52.782 52.037 -0.040 0.000 0.840 44 A CB -0.152 18.816 19.000 -0.052 0.000 0.866 44 A HN 0.198 nan 8.150 nan 0.000 0.489 45 G N -1.533 107.243 108.800 -0.040 0.000 2.136 45 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.242 45 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.242 45 G C -0.214 174.659 174.900 -0.045 0.000 0.989 45 G CA 0.318 45.396 45.100 -0.037 0.000 0.682 45 G HN 0.333 nan 8.290 nan 0.000 0.522 46 L N 0.709 121.897 121.223 -0.059 0.000 2.343 46 L HA 0.822 5.158 4.340 -0.007 0.000 0.275 46 L C 0.899 177.733 176.870 -0.059 0.000 1.056 46 L CA -0.286 54.513 54.840 -0.069 0.000 0.804 46 L CB 1.436 43.432 42.059 -0.105 0.000 1.203 46 L HN 0.474 nan 8.230 nan 0.000 0.440 47 A N 2.315 125.104 122.820 -0.051 0.000 2.362 47 A HA 0.616 4.932 4.320 -0.007 0.000 0.276 47 A C -0.557 177.004 177.584 -0.039 0.000 1.153 47 A CA -0.281 51.734 52.037 -0.038 0.000 0.813 47 A CB 0.675 19.658 19.000 -0.030 0.000 1.081 47 A HN 0.629 nan 8.150 nan 0.000 0.507 48 V N 4.054 123.951 119.914 -0.030 0.000 2.891 48 V HA 0.591 4.707 4.120 -0.007 0.000 0.304 48 V C -0.784 175.305 176.094 -0.008 0.000 1.171 48 V CA -0.814 61.475 62.300 -0.019 0.000 0.943 48 V CB 1.998 33.801 31.823 -0.034 0.000 1.037 48 V HN 1.023 nan 8.190 nan 0.000 0.427 49 R N 3.422 123.923 120.500 0.002 0.000 2.407 49 R HA 0.439 4.774 4.340 -0.007 0.000 0.303 49 R C -0.750 175.551 176.300 0.002 0.000 0.981 49 R CA -0.596 55.503 56.100 -0.001 0.000 0.905 49 R CB 1.700 31.998 30.300 -0.003 0.000 1.099 49 R HN 0.922 nan 8.270 nan 0.000 0.459 50 D N 0.755 121.154 120.400 -0.002 0.000 2.382 50 D HA -0.064 4.571 4.640 -0.007 0.000 0.240 50 D C 1.153 177.446 176.300 -0.010 0.000 1.146 50 D CA -0.022 53.977 54.000 -0.001 0.000 0.897 50 D CB 1.296 42.095 40.800 -0.001 0.000 1.197 50 D HN 0.179 nan 8.370 nan 0.000 0.432 51 V N 2.652 122.558 119.914 -0.013 0.000 2.594 51 V HA -0.202 3.913 4.120 -0.007 0.000 0.253 51 V C 1.774 177.838 176.094 -0.049 0.000 1.069 51 V CA 2.215 64.492 62.300 -0.038 0.000 1.082 51 V CB -0.426 31.374 31.823 -0.039 0.000 0.680 51 V HN 0.667 nan 8.190 nan 0.000 0.469 52 S N -0.214 115.472 115.700 -0.023 0.000 2.440 52 S HA -0.159 4.306 4.470 -0.007 0.000 0.238 52 S C 1.779 176.362 174.600 -0.030 0.000 1.010 52 S CA 1.251 59.441 58.200 -0.017 0.000 0.972 52 S CB -0.312 62.891 63.200 0.005 0.000 0.774 52 S HN 0.673 nan 8.310 nan 0.000 0.501 53 E N 0.996 121.179 120.200 -0.028 0.000 2.152 53 E HA 0.031 4.377 4.350 -0.007 0.000 0.192 53 E C 1.886 178.469 176.600 -0.027 0.000 0.983 53 E CA 0.598 56.986 56.400 -0.020 0.000 0.818 53 E CB -0.129 29.563 29.700 -0.013 0.000 0.758 53 E HN 0.501 nan 8.360 nan 0.000 0.467 54 L N 0.289 121.477 121.223 -0.058 0.000 2.202 54 L HA -0.048 4.288 4.340 -0.007 0.000 0.205 54 L C 2.644 179.442 176.870 -0.120 0.000 1.083 54 L CA 1.495 56.289 54.840 -0.076 0.000 0.790 54 L CB -0.497 41.489 42.059 -0.121 0.000 0.942 54 L HN 0.147 nan 8.230 nan 0.000 0.452 55 T N -3.533 110.891 114.554 -0.216 0.000 2.978 55 T HA 0.076 4.422 4.350 -0.007 0.000 0.262 55 T C 1.682 176.262 174.700 -0.199 0.000 1.063 55 T CA 0.816 62.635 62.100 -0.468 0.000 1.140 55 T CB 0.137 68.568 68.868 -0.728 0.000 0.886 55 T HN 0.436 nan 8.240 nan 0.000 0.470 56 G N 0.871 109.635 108.800 -0.060 0.000 2.189 56 G HA2 -0.270 3.686 3.960 -0.007 0.000 0.267 56 G HA3 -0.270 3.686 3.960 -0.007 0.000 0.267 56 G C -0.043 174.879 174.900 0.037 0.000 0.975 56 G CA 0.250 45.358 45.100 0.013 0.000 0.644 56 G HN 0.682 nan 8.290 nan 0.000 0.537 57 F N 3.747 123.633 119.950 -0.106 0.000 2.429 57 F HA 0.544 5.066 4.527 -0.007 0.000 0.348 57 F C -0.766 175.026 175.800 -0.014 0.000 1.109 57 F CA -1.671 56.313 58.000 -0.027 0.000 1.232 57 F CB 0.843 39.836 39.000 -0.013 0.000 1.157 57 F HN 0.042 nan 8.300 nan 0.000 0.564 58 P HA 0.213 nan 4.420 nan 0.000 0.274 58 P C -1.014 176.260 177.300 -0.043 0.000 1.231 58 P CA -0.253 62.677 63.100 -0.285 0.000 0.790 58 P CB 0.477 31.947 31.700 -0.382 0.000 0.951 59 E N 2.967 123.173 120.200 0.011 0.000 2.415 59 E HA 0.448 4.793 4.350 -0.007 0.000 0.262 59 E C 0.465 177.112 176.600 0.078 0.000 1.038 59 E CA 0.045 56.487 56.400 0.070 0.000 0.921 59 E CB 0.077 29.799 29.700 0.036 0.000 0.950 59 E HN 0.753 nan 8.360 nan 0.000 0.438 60 M N -0.695 118.974 119.600 0.115 0.000 2.755 60 M HA 0.467 4.942 4.480 -0.007 0.000 0.276 60 M C -0.857 175.501 176.300 0.097 0.000 1.129 60 M CA -0.771 54.593 55.300 0.107 0.000 0.832 60 M CB 0.803 33.496 32.600 0.156 0.000 1.700 60 M HN 0.686 nan 8.290 nan 0.000 0.518 61 L N 1.268 122.536 121.223 0.075 0.000 3.742 61 L HA -0.216 4.119 4.340 -0.007 0.000 0.431 61 L C 0.930 177.833 176.870 0.056 0.000 1.220 61 L CA 1.121 55.999 54.840 0.063 0.000 0.863 61 L CB -2.300 39.800 42.059 0.069 0.000 1.751 61 L HN 1.391 nan 8.230 nan 0.000 0.922 62 G N -0.791 108.038 108.800 0.049 0.000 2.283 62 G HA2 -0.001 3.955 3.960 -0.007 0.000 0.280 62 G HA3 -0.001 3.955 3.960 -0.007 0.000 0.280 62 G C 1.093 176.020 174.900 0.044 0.000 1.029 62 G CA 0.689 45.814 45.100 0.041 0.000 0.840 62 G HN 1.946 nan 8.290 nan 0.000 0.505 63 G N -1.308 107.526 108.800 0.056 0.000 2.160 63 G HA2 -0.331 3.624 3.960 -0.007 0.000 0.251 63 G HA3 -0.331 3.624 3.960 -0.007 0.000 0.251 63 G C 1.029 175.959 174.900 0.051 0.000 1.008 63 G CA 1.166 46.300 45.100 0.057 0.000 0.724 63 G HN 0.961 nan 8.290 nan 0.000 0.514 64 R N -0.626 119.906 120.500 0.053 0.000 2.236 64 R HA 0.196 4.532 4.340 -0.007 0.000 0.208 64 R C 2.105 178.427 176.300 0.038 0.000 1.036 64 R CA 1.393 57.520 56.100 0.046 0.000 1.001 64 R CB 0.145 30.474 30.300 0.048 0.000 0.896 64 R HN 0.924 nan 8.270 nan 0.000 0.464 65 V N -1.825 118.111 119.914 0.037 0.000 3.159 65 V HA 0.128 4.244 4.120 -0.007 0.000 0.333 65 V C 1.499 177.585 176.094 -0.014 0.000 1.424 65 V CA -0.390 61.911 62.300 0.002 0.000 1.125 65 V CB 0.380 32.186 31.823 -0.028 0.000 1.075 65 V HN 0.128 nan 8.190 nan 0.000 0.482 66 K N 1.792 122.208 120.400 0.026 0.000 2.209 66 K HA -0.122 4.193 4.320 -0.007 0.000 0.204 66 K C 1.572 178.169 176.600 -0.005 0.000 1.048 66 K CA 2.046 58.349 56.287 0.027 0.000 0.940 66 K CB -0.522 32.007 32.500 0.047 0.000 0.729 66 K HN 0.641 nan 8.250 nan 0.000 0.451 67 T N -1.389 113.168 114.554 0.004 0.000 3.040 67 T HA 0.232 4.577 4.350 -0.007 0.000 0.250 67 T C 0.944 175.683 174.700 0.065 0.000 1.058 67 T CA -0.433 61.663 62.100 -0.006 0.000 0.988 67 T CB -0.028 68.832 68.868 -0.014 0.000 0.993 67 T HN 0.101 nan 8.240 nan 0.000 0.519 68 L N 2.980 124.244 121.223 0.069 0.000 2.583 68 L HA 0.397 4.733 4.340 -0.007 0.000 0.239 68 L C 0.137 177.040 176.870 0.055 0.000 1.347 68 L CA -0.389 54.509 54.840 0.097 0.000 1.246 68 L CB -0.443 41.622 42.059 0.010 0.000 1.496 68 L HN 0.411 nan 8.230 nan 0.000 0.413 69 H N 0.556 119.620 119.070 -0.010 0.000 2.851 69 H HA 0.287 4.839 4.556 -0.007 0.000 0.372 69 H C -2.339 172.959 175.328 -0.051 0.000 1.158 69 H CA -1.703 54.291 56.048 -0.090 0.000 1.159 69 H CB 2.953 32.618 29.762 -0.162 0.000 1.757 69 H HN -0.086 nan 8.280 nan 0.000 0.546 70 P HA -0.132 nan 4.420 nan 0.000 0.216 70 P C 1.125 178.282 177.300 -0.239 0.000 1.150 70 P CA 2.323 65.378 63.100 -0.074 0.000 0.843 70 P CB 0.036 31.721 31.700 -0.024 0.000 0.787 71 A N -0.934 121.716 122.820 -0.283 0.000 1.978 71 A HA -0.163 4.152 4.320 -0.007 0.000 0.220 71 A C 2.293 179.544 177.584 -0.555 0.000 1.170 71 A CA 1.816 53.217 52.037 -1.060 0.000 0.636 71 A CB -1.566 17.050 19.000 -0.639 0.000 0.810 71 A HN 0.063 nan 8.150 nan 0.000 0.448 72 V N -0.948 118.789 119.914 -0.294 0.000 2.273 72 V HA -0.143 3.973 4.120 -0.007 0.000 0.242 72 V C 2.362 178.230 176.094 -0.376 0.000 1.035 72 V CA 1.737 63.836 62.300 -0.336 0.000 1.013 72 V CB -0.923 30.676 31.823 -0.374 0.000 0.652 72 V HN 0.644 nan 8.190 nan 0.000 0.452 73 H N 0.029 119.038 119.070 -0.101 0.000 2.462 73 H HA 0.067 4.618 4.556 -0.007 0.000 0.292 73 H C 2.265 177.562 175.328 -0.052 0.000 1.049 73 H CA 1.437 57.445 56.048 -0.067 0.000 1.334 73 H CB -0.128 29.604 29.762 -0.049 0.000 1.404 73 H HN 0.452 nan 8.280 nan 0.000 0.544 74 A N 0.622 123.446 122.820 0.006 0.000 1.929 74 A HA -0.012 4.304 4.320 -0.007 0.000 0.216 74 A C 2.798 180.393 177.584 0.019 0.000 1.176 74 A CA 1.200 53.272 52.037 0.059 0.000 0.628 74 A CB -0.886 18.221 19.000 0.178 0.000 0.816 74 A HN 0.425 nan 8.150 nan 0.000 0.444 75 G N 0.034 108.785 108.800 -0.082 0.000 2.422 75 G HA2 -0.170 3.786 3.960 -0.007 0.000 0.218 75 G HA3 -0.170 3.786 3.960 -0.007 0.000 0.218 75 G C 1.470 176.338 174.900 -0.054 0.000 1.146 75 G CA 1.215 46.272 45.100 -0.070 0.000 0.769 75 G HN 0.485 nan 8.290 nan 0.000 0.547 76 I N -0.360 120.171 120.570 -0.066 0.000 2.480 76 I HA 0.085 4.251 4.170 -0.007 0.000 0.251 76 I C 2.277 178.398 176.117 0.007 0.000 1.124 76 I CA 0.515 61.791 61.300 -0.040 0.000 1.444 76 I CB 0.048 38.017 38.000 -0.052 0.000 1.098 76 I HN 0.080 nan 8.210 nan 0.000 0.428 77 L N 0.581 121.826 121.223 0.036 0.000 2.529 77 L HA 0.245 4.581 4.340 -0.007 0.000 0.223 77 L C 1.333 178.224 176.870 0.035 0.000 1.113 77 L CA -0.339 54.528 54.840 0.045 0.000 0.861 77 L CB -0.243 41.856 42.059 0.066 0.000 1.012 77 L HN 0.064 nan 8.230 nan 0.000 0.461 78 A N 1.061 123.904 122.820 0.038 0.000 2.565 78 A HA 0.215 4.531 4.320 -0.007 0.000 0.237 78 A C 0.273 177.869 177.584 0.021 0.000 1.053 78 A CA 0.281 52.341 52.037 0.038 0.000 0.755 78 A CB 0.035 19.065 19.000 0.051 0.000 0.980 78 A HN 0.306 nan 8.150 nan 0.000 0.506 79 R N 0.893 121.403 120.500 0.016 0.000 2.720 79 R HA 0.272 4.608 4.340 -0.007 0.000 0.272 79 R C -0.187 176.116 176.300 0.007 0.000 0.991 79 R CA -0.822 55.281 56.100 0.005 0.000 1.010 79 R CB 0.699 31.000 30.300 0.000 0.000 1.141 79 R HN 0.751 nan 8.270 nan 0.000 0.494 80 N N 2.492 121.193 118.700 0.001 0.000 3.178 80 N HA 0.124 4.859 4.740 -0.007 0.000 0.300 80 N C -1.002 174.510 175.510 0.002 0.000 1.242 80 N CA -0.133 52.918 53.050 0.003 0.000 1.192 80 N CB -0.358 38.130 38.487 0.000 0.000 1.463 80 N HN 0.442 nan 8.380 nan 0.000 0.539 81 I N -2.525 118.048 120.570 0.004 0.000 2.934 81 I HA 0.569 4.734 4.170 -0.007 0.000 0.306 81 I C -2.098 174.022 176.117 0.005 0.000 1.110 81 I CA -2.578 58.724 61.300 0.003 0.000 1.019 81 I CB 2.162 40.164 38.000 0.003 0.000 1.227 81 I HN -0.145 nan 8.210 nan 0.000 0.434 82 P HA -0.178 nan 4.420 nan 0.000 0.215 82 P C 0.922 178.224 177.300 0.003 0.000 1.163 82 P CA 1.821 64.922 63.100 0.003 0.000 0.894 82 P CB 0.149 31.849 31.700 0.001 0.000 0.791 83 E N -0.487 119.715 120.200 0.003 0.000 2.097 83 E HA -0.203 4.143 4.350 -0.007 0.000 0.196 83 E C 1.735 178.340 176.600 0.007 0.000 1.000 83 E CA 1.595 57.997 56.400 0.004 0.000 0.804 83 E CB -1.108 28.595 29.700 0.004 0.000 0.740 83 E HN 0.327 nan 8.360 nan 0.000 0.454 84 D N -0.051 120.356 120.400 0.012 0.000 2.117 84 D HA -0.070 4.566 4.640 -0.007 0.000 0.198 84 D C 1.507 177.820 176.300 0.021 0.000 0.982 84 D CA 0.703 54.715 54.000 0.020 0.000 0.828 84 D CB -0.305 40.508 40.800 0.023 0.000 0.967 84 D HN 0.083 nan 8.370 nan 0.000 0.464 85 N N 0.606 119.315 118.700 0.015 0.000 2.166 85 N HA -0.109 4.626 4.740 -0.007 0.000 0.186 85 N C 1.649 177.163 175.510 0.006 0.000 1.019 85 N CA 1.207 54.265 53.050 0.013 0.000 0.856 85 N CB -0.263 38.229 38.487 0.009 0.000 0.993 85 N HN 0.140 nan 8.380 nan 0.000 0.426 86 A N 0.924 123.744 122.820 0.000 0.000 1.968 86 A HA -0.095 4.221 4.320 -0.007 0.000 0.217 86 A C 1.778 179.351 177.584 -0.019 0.000 1.169 86 A CA 1.252 53.283 52.037 -0.009 0.000 0.638 86 A CB -0.203 18.792 19.000 -0.009 0.000 0.812 86 A HN 0.079 nan 8.150 nan 0.000 0.446 87 D N -0.242 120.152 120.400 -0.010 0.000 2.097 87 D HA -0.126 4.509 4.640 -0.007 0.000 0.197 87 D C 2.018 178.293 176.300 -0.041 0.000 0.984 87 D CA 1.231 55.219 54.000 -0.019 0.000 0.826 87 D CB -0.299 40.507 40.800 0.010 0.000 0.973 87 D HN 0.254 nan 8.370 nan 0.000 0.460 88 M N 0.532 120.134 119.600 0.004 0.000 2.159 88 M HA -0.040 4.435 4.480 -0.007 0.000 0.263 88 M C 2.249 178.528 176.300 -0.035 0.000 1.063 88 M CA 0.787 56.102 55.300 0.026 0.000 1.110 88 M CB -1.092 31.561 32.600 0.088 0.000 1.374 88 M HN -0.037 nan 8.290 nan 0.000 0.411 89 A N -0.147 122.655 122.820 -0.030 0.000 1.929 89 A HA -0.144 4.172 4.320 -0.007 0.000 0.216 89 A C 2.380 179.919 177.584 -0.075 0.000 1.176 89 A CA 1.510 53.525 52.037 -0.037 0.000 0.628 89 A CB -0.646 18.342 19.000 -0.021 0.000 0.816 89 A HN 0.463 nan 8.150 nan 0.000 0.444 90 R N -0.341 120.105 120.500 -0.090 0.000 2.096 90 R HA -0.006 4.329 4.340 -0.007 0.000 0.235 90 R C 1.431 177.623 176.300 -0.181 0.000 1.127 90 R CA 1.446 57.482 56.100 -0.107 0.000 0.968 90 R CB -0.269 29.979 30.300 -0.087 0.000 0.861 90 R HN 0.511 nan 8.270 nan 0.000 0.440 91 L N -0.004 121.031 121.223 -0.314 0.000 2.567 91 L HA 0.075 4.411 4.340 -0.007 0.000 0.225 91 L C 0.127 176.644 176.870 -0.588 0.000 1.119 91 L CA 0.130 54.611 54.840 -0.597 0.000 0.871 91 L CB 0.026 41.399 42.059 -1.144 0.000 1.036 91 L HN 0.247 nan 8.230 nan 0.000 0.459 92 D N -0.237 119.990 120.400 -0.288 0.000 2.746 92 D HA -0.226 4.410 4.640 -0.007 0.000 0.236 92 D C -0.666 175.690 176.300 0.093 0.000 1.129 92 D CA 0.465 54.414 54.000 -0.086 0.000 0.691 92 D CB -0.931 39.844 40.800 -0.042 0.000 1.077 92 D HN -0.055 nan 8.370 nan 0.000 0.432 93 F N 0.727 120.688 119.950 0.020 0.000 2.399 93 F HA 0.481 5.004 4.527 -0.007 0.000 0.334 93 F C 1.195 176.999 175.800 0.007 0.000 1.097 93 F CA -1.352 56.659 58.000 0.018 0.000 1.076 93 F CB 1.023 40.039 39.000 0.027 0.000 1.162 93 F HN -0.085 nan 8.300 nan 0.000 0.495 94 N N 2.176 120.989 118.700 0.188 0.000 2.492 94 N HA 0.378 5.113 4.740 -0.007 0.000 0.289 94 N C -0.923 174.613 175.510 0.044 0.000 1.133 94 N CA -0.374 52.727 53.050 0.084 0.000 0.961 94 N CB 1.144 39.657 38.487 0.044 0.000 1.186 94 N HN 0.512 nan 8.380 nan 0.000 0.493 95 L N 2.641 123.880 121.223 0.026 0.000 2.380 95 L HA 0.332 4.668 4.340 -0.007 0.000 0.273 95 L C 0.386 177.239 176.870 -0.027 0.000 1.138 95 L CA -0.248 54.594 54.840 0.004 0.000 0.832 95 L CB 0.658 42.721 42.059 0.006 0.000 1.124 95 L HN 0.390 nan 8.230 nan 0.000 0.454 96 I N 3.394 123.936 120.570 -0.048 0.000 2.312 96 I HA 0.203 4.368 4.170 -0.007 0.000 0.290 96 I C 0.963 177.039 176.117 -0.068 0.000 1.008 96 I CA -0.162 61.091 61.300 -0.077 0.000 1.226 96 I CB 1.652 39.586 38.000 -0.109 0.000 1.371 96 I HN 0.658 nan 8.210 nan 0.000 0.468 97 R N 4.734 125.191 120.500 -0.072 0.000 2.189 97 R HA 0.236 4.571 4.340 -0.007 0.000 0.203 97 R C -0.348 175.914 176.300 -0.065 0.000 1.012 97 R CA 0.675 56.742 56.100 -0.056 0.000 1.015 97 R CB 0.603 30.875 30.300 -0.046 0.000 0.938 97 R HN 0.476 nan 8.270 nan 0.000 0.472 98 V N 1.151 120.996 119.914 -0.115 0.000 2.709 98 V HA 0.410 4.526 4.120 -0.007 0.000 0.308 98 V C -1.051 174.917 176.094 -0.210 0.000 1.062 98 V CA -0.922 61.302 62.300 -0.126 0.000 0.901 98 V CB 2.104 33.836 31.823 -0.152 0.000 1.003 98 V HN -0.209 nan 8.190 nan 0.000 0.425 99 V N 3.380 123.208 119.914 -0.144 0.000 2.443 99 V HA 0.775 4.891 4.120 -0.007 0.000 0.293 99 V C 0.160 176.198 176.094 -0.094 0.000 1.021 99 V CA -0.496 61.701 62.300 -0.173 0.000 0.848 99 V CB 1.759 33.511 31.823 -0.118 0.000 0.998 99 V HN 1.014 nan 8.190 nan 0.000 0.424 100 A N 3.997 126.740 122.820 -0.128 0.000 2.258 100 A HA 0.786 5.101 4.320 -0.007 0.000 0.316 100 A C -0.507 177.138 177.584 0.101 0.000 1.279 100 A CA -0.405 51.696 52.037 0.107 0.000 0.876 100 A CB 0.936 20.132 19.000 0.327 0.000 1.170 100 A HN 1.094 nan 8.150 nan 0.000 0.520 101 C N 3.788 123.131 119.300 0.072 0.000 3.006 101 C HA 0.782 5.238 4.460 -0.007 0.000 0.359 101 C C -1.560 173.432 174.990 0.004 0.000 1.103 101 C CA -0.601 58.446 59.018 0.048 0.000 1.286 101 C CB 1.043 28.786 27.740 0.005 0.000 1.694 101 C HN 1.176 nan 8.230 nan 0.000 0.511 102 N N 4.164 122.890 118.700 0.043 0.000 2.329 102 N HA 0.757 5.492 4.740 -0.007 0.000 0.282 102 N C -1.700 173.896 175.510 0.143 0.000 1.198 102 N CA -0.842 52.247 53.050 0.066 0.000 0.790 102 N CB 0.903 39.389 38.487 -0.001 0.000 1.579 102 N HN 0.636 nan 8.380 nan 0.000 0.475 103 L N 0.360 121.727 121.223 0.239 0.000 2.334 103 L HA 0.462 4.797 4.340 -0.007 0.000 0.275 103 L C -0.488 176.473 176.870 0.152 0.000 1.036 103 L CA -1.253 53.625 54.840 0.062 0.000 0.807 103 L CB 0.762 42.644 42.059 -0.295 0.000 1.231 103 L HN 0.598 nan 8.230 nan 0.000 0.438 104 Y N 3.303 123.646 120.300 0.072 0.000 2.442 104 Y HA 0.176 4.721 4.550 -0.007 0.000 0.330 104 Y C -2.013 174.000 175.900 0.188 0.000 1.129 104 Y CA -1.937 56.231 58.100 0.114 0.000 1.365 104 Y CB 0.512 39.036 38.460 0.108 0.000 1.233 104 Y HN 0.337 nan 8.280 nan 0.000 0.529 105 P HA -0.069 nan 4.420 nan 0.000 0.263 105 P C 0.195 177.458 177.300 -0.062 0.000 1.195 105 P CA 0.371 63.386 63.100 -0.142 0.000 0.762 105 P CB 0.226 31.774 31.700 -0.253 0.000 0.799 106 F N 5.034 124.949 119.950 -0.058 0.000 2.216 106 F HA -0.195 4.328 4.527 -0.008 0.000 0.300 106 F C 1.905 177.602 175.800 -0.172 0.000 1.085 106 F CA 1.509 59.429 58.000 -0.134 0.000 1.326 106 F CB -0.621 38.163 39.000 -0.360 0.000 1.027 106 F HN 0.141 nan 8.300 nan 0.000 0.497 107 V N -1.677 118.136 119.914 -0.168 0.000 2.407 107 V HA -0.267 3.849 4.120 -0.007 0.000 0.248 107 V C 2.217 178.164 176.094 -0.245 0.000 1.055 107 V CA 2.034 64.199 62.300 -0.225 0.000 1.049 107 V CB -1.069 30.688 31.823 -0.111 0.000 0.662 107 V HN 0.275 nan 8.190 nan 0.000 0.455 108 K N 0.328 120.585 120.400 -0.240 0.000 2.097 108 K HA -0.076 4.240 4.320 -0.007 0.000 0.205 108 K C 2.355 178.913 176.600 -0.069 0.000 1.050 108 K CA 1.755 57.933 56.287 -0.182 0.000 0.938 108 K CB -0.517 31.772 32.500 -0.353 0.000 0.718 108 K HN 0.542 nan 8.250 nan 0.000 0.442 109 T N 1.203 115.712 114.554 -0.074 0.000 2.684 109 T HA -0.116 4.229 4.350 -0.007 0.000 0.267 109 T C 1.919 176.473 174.700 -0.243 0.000 1.036 109 T CA 1.256 63.326 62.100 -0.051 0.000 1.148 109 T CB -0.123 68.661 68.868 -0.139 0.000 0.863 109 T HN -0.048 nan 8.240 nan 0.000 0.436 110 V N 1.262 120.890 119.914 -0.476 0.000 2.759 110 V HA -0.008 4.108 4.120 -0.007 0.000 0.256 110 V C 2.505 178.491 176.094 -0.181 0.000 1.080 110 V CA 1.349 63.403 62.300 -0.409 0.000 1.101 110 V CB -0.829 30.640 31.823 -0.590 0.000 0.698 110 V HN 0.504 nan 8.190 nan 0.000 0.477 111 A N -1.085 121.651 122.820 -0.140 0.000 2.218 111 A HA 0.122 4.438 4.320 -0.007 0.000 0.209 111 A C 1.459 179.021 177.584 -0.037 0.000 1.168 111 A CA 0.393 52.388 52.037 -0.071 0.000 0.804 111 A CB -0.103 18.860 19.000 -0.062 0.000 0.834 111 A HN 0.375 nan 8.150 nan 0.000 0.482 112 S N 1.479 117.160 115.700 -0.032 0.000 2.533 112 S HA 0.329 4.794 4.470 -0.007 0.000 0.282 112 S C -2.600 171.993 174.600 -0.011 0.000 1.304 112 S CA -1.222 56.974 58.200 -0.007 0.000 1.063 112 S CB 0.117 63.319 63.200 0.004 0.000 0.881 112 S HN 0.175 nan 8.310 nan 0.000 0.493 113 P HA 0.129 nan 4.420 nan 0.000 0.260 113 P C 0.884 178.183 177.300 -0.002 0.000 1.172 113 P CA 1.175 64.273 63.100 -0.003 0.000 0.760 113 P CB 0.077 31.777 31.700 0.001 0.000 0.773 114 G N 1.969 110.768 108.800 -0.001 0.000 2.212 114 G HA2 -0.272 3.683 3.960 -0.007 0.000 0.266 114 G HA3 -0.272 3.683 3.960 -0.007 0.000 0.266 114 G C 0.272 175.174 174.900 0.003 0.000 0.978 114 G CA 0.166 45.267 45.100 0.001 0.000 0.632 114 G HN 0.728 nan 8.290 nan 0.000 0.537 115 V N 0.976 120.889 119.914 -0.000 0.000 2.599 115 V HA 0.586 4.702 4.120 -0.007 0.000 0.300 115 V C 0.896 177.000 176.094 0.016 0.000 1.034 115 V CA 0.412 62.714 62.300 0.003 0.000 1.115 115 V CB 0.446 32.260 31.823 -0.015 0.000 0.934 115 V HN 1.161 nan 8.190 nan 0.000 0.485 116 T N 1.870 116.441 114.554 0.028 0.000 2.824 116 T HA 0.440 4.785 4.350 -0.007 0.000 0.277 116 T C 1.110 175.855 174.700 0.075 0.000 0.975 116 T CA -0.016 62.107 62.100 0.040 0.000 0.966 116 T CB 1.449 70.338 68.868 0.034 0.000 1.054 116 T HN 0.494 nan 8.240 nan 0.000 0.533 117 V N 0.942 120.903 119.914 0.078 0.000 2.287 117 V HA -0.153 3.963 4.120 -0.007 0.000 0.248 117 V C 2.857 179.045 176.094 0.158 0.000 1.053 117 V CA 2.404 64.781 62.300 0.128 0.000 1.027 117 V CB -1.071 30.737 31.823 -0.024 0.000 0.646 117 V HN 1.082 nan 8.190 nan 0.000 0.447 118 E N 0.230 120.496 120.200 0.109 0.000 2.110 118 E HA -0.270 4.076 4.350 -0.007 0.000 0.193 118 E C 2.084 178.755 176.600 0.118 0.000 0.988 118 E CA 1.655 58.124 56.400 0.114 0.000 0.804 118 E CB -0.114 29.633 29.700 0.078 0.000 0.745 118 E HN 0.734 nan 8.360 nan 0.000 0.458 119 E N 0.075 120.331 120.200 0.092 0.000 2.152 119 E HA -0.127 4.219 4.350 -0.007 0.000 0.192 119 E C 1.991 178.646 176.600 0.091 0.000 0.983 119 E CA 0.700 57.146 56.400 0.077 0.000 0.818 119 E CB -0.028 29.700 29.700 0.047 0.000 0.758 119 E HN 0.377 nan 8.360 nan 0.000 0.467 120 A N 0.982 123.862 122.820 0.101 0.000 1.873 120 A HA -0.114 4.201 4.320 -0.007 0.000 0.215 120 A C 2.487 180.226 177.584 0.259 0.000 1.186 120 A CA 0.958 53.035 52.037 0.067 0.000 0.616 120 A CB -0.622 18.345 19.000 -0.055 0.000 0.823 120 A HN 0.105 nan 8.150 nan 0.000 0.442 121 V N 0.100 120.208 119.914 0.324 0.000 2.407 121 V HA -0.230 3.886 4.120 -0.007 0.000 0.248 121 V C 2.484 178.740 176.094 0.271 0.000 1.055 121 V CA 2.319 64.848 62.300 0.381 0.000 1.049 121 V CB -0.763 31.279 31.823 0.364 0.000 0.662 121 V HN 0.625 nan 8.190 nan 0.000 0.455 122 E N 0.188 120.508 120.200 0.199 0.000 2.265 122 E HA -0.195 4.150 4.350 -0.007 0.000 0.196 122 E C 2.066 178.756 176.600 0.151 0.000 0.996 122 E CA 1.031 57.520 56.400 0.149 0.000 0.832 122 E CB -0.136 29.630 29.700 0.109 0.000 0.756 122 E HN 0.688 nan 8.360 nan 0.000 0.491 123 Q N -0.479 119.435 119.800 0.190 0.000 2.280 123 Q HA 0.197 4.532 4.340 -0.007 0.000 0.201 123 Q C -0.136 176.030 176.000 0.277 0.000 0.890 123 Q CA -0.269 55.653 55.803 0.198 0.000 0.947 123 Q CB 0.520 29.361 28.738 0.172 0.000 1.081 123 Q HN 0.278 nan 8.270 nan 0.000 0.502 124 I N 2.191 122.921 120.570 0.268 0.000 2.668 124 I HA -0.082 4.083 4.170 -0.007 0.000 0.285 124 I C 0.505 176.750 176.117 0.213 0.000 1.168 124 I CA 0.080 61.510 61.300 0.216 0.000 1.424 124 I CB 0.305 38.349 38.000 0.072 0.000 1.377 124 I HN 0.064 nan 8.210 nan 0.000 0.560 125 D N 7.124 127.698 120.400 0.289 0.000 2.348 125 D HA 0.083 4.719 4.640 -0.007 0.000 0.253 125 D C 0.522 176.866 176.300 0.074 0.000 1.161 125 D CA -0.016 54.055 54.000 0.118 0.000 0.876 125 D CB 1.228 41.997 40.800 -0.051 0.000 1.160 125 D HN 0.304 nan 8.370 nan 0.000 0.459 126 I N 3.090 123.688 120.570 0.047 0.000 3.132 126 I HA 0.047 4.212 4.170 -0.007 0.000 0.255 126 I C 2.323 178.448 176.117 0.013 0.000 1.118 126 I CA 0.401 61.719 61.300 0.030 0.000 1.463 126 I CB -1.302 36.717 38.000 0.032 0.000 1.356 126 I HN 0.524 nan 8.210 nan 0.000 0.463 127 G N 1.064 109.878 108.800 0.023 0.000 2.418 127 G HA2 -0.175 3.781 3.960 -0.007 0.000 0.217 127 G HA3 -0.175 3.781 3.960 -0.007 0.000 0.217 127 G C 1.661 176.579 174.900 0.030 0.000 1.158 127 G CA 0.958 46.080 45.100 0.037 0.000 0.771 127 G HN 0.463 nan 8.290 nan 0.000 0.545 128 G N 0.361 109.160 108.800 -0.001 0.000 2.418 128 G HA2 -0.135 3.821 3.960 -0.007 0.000 0.217 128 G HA3 -0.135 3.821 3.960 -0.007 0.000 0.217 128 G C 1.787 176.663 174.900 -0.041 0.000 1.158 128 G CA 1.153 46.241 45.100 -0.020 0.000 0.771 128 G HN 0.313 nan 8.290 nan 0.000 0.545 129 V N 1.187 121.056 119.914 -0.075 0.000 2.287 129 V HA -0.212 3.903 4.120 -0.007 0.000 0.248 129 V C 3.192 179.273 176.094 -0.021 0.000 1.053 129 V CA 2.434 64.690 62.300 -0.073 0.000 1.027 129 V CB -0.965 30.818 31.823 -0.066 0.000 0.646 129 V HN 0.416 nan 8.190 nan 0.000 0.447 130 T N 0.361 114.917 114.554 0.004 0.000 2.788 130 T HA -0.139 4.207 4.350 -0.007 0.000 0.268 130 T C 1.867 176.639 174.700 0.119 0.000 1.044 130 T CA 1.481 63.596 62.100 0.024 0.000 1.139 130 T CB -0.291 68.565 68.868 -0.020 0.000 0.867 130 T HN 0.305 nan 8.240 nan 0.000 0.454 131 L N 0.268 121.564 121.223 0.122 0.000 2.017 131 L HA -0.068 4.267 4.340 -0.007 0.000 0.208 131 L C 2.544 179.412 176.870 -0.003 0.000 1.073 131 L CA 1.262 56.149 54.840 0.079 0.000 0.745 131 L CB -0.671 41.386 42.059 -0.003 0.000 0.894 131 L HN 0.250 nan 8.230 nan 0.000 0.432 132 L N -0.642 120.554 121.223 -0.044 0.000 1.994 132 L HA -0.221 4.114 4.340 -0.007 0.000 0.208 132 L C 2.902 179.640 176.870 -0.220 0.000 1.071 132 L CA 1.413 56.182 54.840 -0.119 0.000 0.745 132 L CB -0.542 41.457 42.059 -0.099 0.000 0.892 132 L HN 0.208 nan 8.230 nan 0.000 0.431 133 R N -0.127 120.267 120.500 -0.176 0.000 2.081 133 R HA -0.146 4.189 4.340 -0.007 0.000 0.235 133 R C 2.421 178.667 176.300 -0.089 0.000 1.131 133 R CA 1.368 57.339 56.100 -0.216 0.000 0.960 133 R CB -0.581 29.743 30.300 0.041 0.000 0.856 133 R HN 0.376 nan 8.270 nan 0.000 0.436 134 A N 1.455 124.280 122.820 0.008 0.000 1.877 134 A HA -0.106 4.210 4.320 -0.007 0.000 0.216 134 A C 2.424 180.028 177.584 0.035 0.000 1.186 134 A CA 1.693 53.772 52.037 0.070 0.000 0.620 134 A CB -0.705 18.403 19.000 0.179 0.000 0.822 134 A HN 0.395 nan 8.150 nan 0.000 0.443 135 A N -0.157 122.654 122.820 -0.015 0.000 1.902 135 A HA 0.140 4.455 4.320 -0.007 0.000 0.217 135 A C 2.521 180.091 177.584 -0.022 0.000 1.181 135 A CA 2.235 54.255 52.037 -0.028 0.000 0.623 135 A CB -1.067 17.898 19.000 -0.059 0.000 0.818 135 A HN 1.085 nan 8.150 nan 0.000 0.443 136 A N -0.044 122.696 122.820 -0.134 0.000 1.902 136 A HA -0.185 4.131 4.320 -0.007 0.000 0.217 136 A C 2.138 179.844 177.584 0.204 0.000 1.181 136 A CA 2.083 54.022 52.037 -0.163 0.000 0.623 136 A CB -0.495 18.024 19.000 -0.802 0.000 0.818 136 A HN 0.601 nan 8.150 nan 0.000 0.443 137 K N -0.532 120.006 120.400 0.230 0.000 2.103 137 K HA -0.187 4.129 4.320 -0.007 0.000 0.207 137 K C 0.994 177.718 176.600 0.207 0.000 1.048 137 K CA 1.718 58.231 56.287 0.377 0.000 0.930 137 K CB -0.184 32.489 32.500 0.289 0.000 0.716 137 K HN 0.371 nan 8.250 nan 0.000 0.444 138 N N 1.075 119.841 118.700 0.110 0.000 2.378 138 N HA -0.034 4.702 4.740 -0.007 0.000 0.243 138 N C 0.674 176.174 175.510 -0.017 0.000 1.137 138 N CA -0.115 52.940 53.050 0.009 0.000 0.862 138 N CB -0.074 38.423 38.487 0.016 0.000 1.116 138 N HN 0.365 nan 8.380 nan 0.000 0.499 139 H N -1.812 117.284 119.070 0.044 0.000 2.543 139 H HA -0.004 4.547 4.556 -0.007 0.000 0.286 139 H C 1.372 176.718 175.328 0.030 0.000 1.037 139 H CA 1.020 57.087 56.048 0.032 0.000 1.250 139 H CB -0.193 29.595 29.762 0.044 0.000 1.373 139 H HN 0.231 nan 8.280 nan 0.000 0.580 140 A N 1.458 124.092 122.820 -0.311 0.000 2.024 140 A HA -0.170 4.146 4.320 -0.007 0.000 0.220 140 A C 2.562 180.118 177.584 -0.046 0.000 1.164 140 A CA 1.796 53.734 52.037 -0.165 0.000 0.643 140 A CB -0.476 18.423 19.000 -0.169 0.000 0.806 140 A HN 0.507 nan 8.150 nan 0.000 0.451 141 R N -1.906 118.575 120.500 -0.032 0.000 2.350 141 R HA 0.224 4.559 4.340 -0.007 0.000 0.199 141 R C -0.533 175.772 176.300 0.009 0.000 0.876 141 R CA 0.356 56.452 56.100 -0.006 0.000 1.062 141 R CB 0.575 30.867 30.300 -0.012 0.000 1.263 141 R HN 0.195 nan 8.270 nan 0.000 0.641 142 V N 2.120 122.042 119.914 0.015 0.000 2.546 142 V HA 0.257 4.373 4.120 -0.007 0.000 0.284 142 V C -0.134 175.982 176.094 0.036 0.000 1.050 142 V CA -0.238 62.070 62.300 0.014 0.000 0.981 142 V CB 1.548 33.371 31.823 0.000 0.000 0.990 142 V HN 0.157 nan 8.190 nan 0.000 0.474 143 T N 4.593 119.162 114.554 0.025 0.000 2.733 143 T HA 0.392 4.737 4.350 -0.007 0.000 0.294 143 T C -0.402 174.313 174.700 0.025 0.000 0.956 143 T CA -0.025 62.100 62.100 0.042 0.000 0.987 143 T CB 1.196 70.103 68.868 0.065 0.000 0.920 143 T HN 0.500 nan 8.240 nan 0.000 0.470 144 V N 5.792 125.712 119.914 0.009 0.000 2.417 144 V HA 0.668 4.784 4.120 -0.007 0.000 0.291 144 V C -0.891 175.188 176.094 -0.026 0.000 1.024 144 V CA -0.479 61.807 62.300 -0.023 0.000 0.861 144 V CB 1.459 33.240 31.823 -0.070 0.000 0.985 144 V HN 0.659 nan 8.190 nan 0.000 0.436 145 V N 7.014 126.927 119.914 -0.002 0.000 2.376 145 V HA 0.263 4.378 4.120 -0.007 0.000 0.287 145 V C 0.693 176.739 176.094 -0.081 0.000 1.015 145 V CA -0.191 62.091 62.300 -0.030 0.000 0.834 145 V CB 1.016 32.875 31.823 0.061 0.000 1.001 145 V HN 1.106 nan 8.190 nan 0.000 0.428 146 C N 1.094 120.273 119.300 -0.202 0.000 3.070 146 C HA 0.428 4.883 4.460 -0.007 0.000 0.280 146 C C 0.391 175.164 174.990 -0.362 0.000 1.264 146 C CA -0.352 58.477 59.018 -0.315 0.000 1.690 146 C CB -0.458 26.968 27.740 -0.525 0.000 2.049 146 C HN 0.731 nan 8.230 nan 0.000 0.636 147 E N 1.886 121.880 120.200 -0.343 0.000 2.186 147 E HA 0.245 4.591 4.350 -0.007 0.000 0.255 147 E C -2.096 174.165 176.600 -0.565 0.000 0.881 147 E CA -1.548 54.640 56.400 -0.354 0.000 0.752 147 E CB 1.733 31.277 29.700 -0.260 0.000 1.176 147 E HN 0.071 nan 8.360 nan 0.000 0.421 148 P HA -0.240 nan 4.420 nan 0.000 0.217 148 P C 1.324 178.168 177.300 -0.760 0.000 1.148 148 P CA 2.023 64.468 63.100 -1.092 0.000 0.834 148 P CB 0.344 31.747 31.700 -0.496 0.000 0.783 149 E N -0.023 119.932 120.200 -0.408 0.000 2.209 149 E HA -0.237 4.109 4.350 -0.007 0.000 0.196 149 E C 1.547 178.001 176.600 -0.245 0.000 0.993 149 E CA 1.572 57.823 56.400 -0.249 0.000 0.819 149 E CB -1.516 28.087 29.700 -0.162 0.000 0.745 149 E HN 0.338 nan 8.360 nan 0.000 0.477 150 D N -1.079 119.121 120.400 -0.333 0.000 2.363 150 D HA -0.008 4.627 4.640 -0.007 0.000 0.220 150 D C 1.197 177.372 176.300 -0.207 0.000 0.994 150 D CA 0.205 54.064 54.000 -0.234 0.000 0.890 150 D CB -0.133 40.540 40.800 -0.211 0.000 0.906 150 D HN 0.538 nan 8.370 nan 0.000 0.530 151 Y N 0.868 120.944 120.300 -0.373 0.000 2.165 151 Y HA -0.172 4.373 4.550 -0.007 0.000 0.286 151 Y C 2.558 178.343 175.900 -0.192 0.000 1.155 151 Y CA 0.085 57.809 58.100 -0.626 0.000 1.164 151 Y CB -1.090 36.970 38.460 -0.667 0.000 0.978 151 Y HN -0.126 nan 8.280 nan 0.000 0.513 152 V N -1.014 118.942 119.914 0.070 0.000 2.295 152 V HA -0.256 3.859 4.120 -0.007 0.000 0.246 152 V C 2.378 178.516 176.094 0.072 0.000 1.049 152 V CA 1.622 63.973 62.300 0.085 0.000 1.024 152 V CB -1.116 30.736 31.823 0.048 0.000 0.648 152 V HN 0.220 nan 8.190 nan 0.000 0.447 153 V N -0.394 119.540 119.914 0.033 0.000 2.343 153 V HA -0.202 3.913 4.120 -0.007 0.000 0.247 153 V C 2.422 178.554 176.094 0.063 0.000 1.051 153 V CA 1.773 64.093 62.300 0.033 0.000 1.036 153 V CB -0.364 31.460 31.823 0.003 0.000 0.654 153 V HN 0.405 nan 8.190 nan 0.000 0.451 154 V N -0.461 119.504 119.914 0.086 0.000 2.358 154 V HA -0.229 3.886 4.120 -0.007 0.000 0.246 154 V C 2.586 178.796 176.094 0.193 0.000 1.047 154 V CA 2.275 64.663 62.300 0.146 0.000 1.035 154 V CB -0.533 31.417 31.823 0.212 0.000 0.658 154 V HN 0.534 nan 8.190 nan 0.000 0.452 155 S N -0.316 115.531 115.700 0.245 0.000 2.353 155 S HA -0.218 4.247 4.470 -0.007 0.000 0.222 155 S C 2.115 176.787 174.600 0.121 0.000 1.035 155 S CA 2.125 60.456 58.200 0.217 0.000 1.025 155 S CB -0.423 62.921 63.200 0.241 0.000 0.902 155 S HN 0.691 nan 8.310 nan 0.000 0.440 156 T N 1.469 116.082 114.554 0.098 0.000 2.708 156 T HA -0.140 4.205 4.350 -0.007 0.000 0.266 156 T C 1.821 176.555 174.700 0.056 0.000 1.037 156 T CA 1.530 63.669 62.100 0.065 0.000 1.146 156 T CB -0.329 68.571 68.868 0.052 0.000 0.865 156 T HN 0.546 nan 8.240 nan 0.000 0.435 157 E N 0.595 120.831 120.200 0.061 0.000 2.077 157 E HA -0.117 4.228 4.350 -0.007 0.000 0.193 157 E C 2.158 178.787 176.600 0.049 0.000 0.989 157 E CA 1.064 57.494 56.400 0.050 0.000 0.800 157 E CB -0.164 29.567 29.700 0.052 0.000 0.746 157 E HN 0.482 nan 8.360 nan 0.000 0.452 158 M N 0.551 120.187 119.600 0.061 0.000 2.229 158 M HA -0.168 4.308 4.480 -0.007 0.000 0.264 158 M C 2.156 178.476 176.300 0.034 0.000 1.063 158 M CA 1.445 56.773 55.300 0.047 0.000 1.114 158 M CB -0.069 32.563 32.600 0.052 0.000 1.387 158 M HN 0.177 nan 8.290 nan 0.000 0.420 159 Q N -0.411 119.411 119.800 0.038 0.000 2.403 159 Q HA 0.033 4.369 4.340 -0.007 0.000 0.203 159 Q C 1.572 177.587 176.000 0.024 0.000 0.932 159 Q CA 1.160 56.979 55.803 0.027 0.000 0.945 159 Q CB -0.221 28.535 28.738 0.030 0.000 1.045 159 Q HN 0.476 nan 8.270 nan 0.000 0.511 160 S N 0.109 115.825 115.700 0.027 0.000 2.501 160 S HA 0.036 4.502 4.470 -0.007 0.000 0.220 160 S C 0.900 175.511 174.600 0.018 0.000 0.997 160 S CA 0.196 58.410 58.200 0.023 0.000 0.919 160 S CB 0.199 63.414 63.200 0.025 0.000 0.778 160 S HN 0.423 nan 8.310 nan 0.000 0.523 161 S N 0.551 116.262 115.700 0.018 0.000 2.627 161 S HA 0.398 4.864 4.470 -0.007 0.000 0.283 161 S C 0.457 175.064 174.600 0.012 0.000 1.127 161 S CA -0.328 57.881 58.200 0.015 0.000 0.863 161 S CB 1.437 64.647 63.200 0.016 0.000 1.121 161 S HN 0.384 nan 8.310 nan 0.000 0.479 162 E N 0.747 120.953 120.200 0.010 0.000 2.401 162 E HA -0.109 4.237 4.350 -0.007 0.000 0.199 162 E C 1.518 178.122 176.600 0.008 0.000 1.023 162 E CA 1.306 57.711 56.400 0.008 0.000 0.859 162 E CB -0.367 29.337 29.700 0.007 0.000 0.780 162 E HN 0.671 nan 8.360 nan 0.000 0.523 163 S N 1.422 117.128 115.700 0.010 0.000 2.453 163 S HA -0.110 4.355 4.470 -0.007 0.000 0.231 163 S C 0.880 175.485 174.600 0.009 0.000 1.005 163 S CA 0.484 58.690 58.200 0.010 0.000 0.949 163 S CB -0.410 62.798 63.200 0.013 0.000 0.774 163 S HN 0.303 nan 8.310 nan 0.000 0.510 164 K N 1.045 121.451 120.400 0.011 0.000 3.071 164 K HA -0.186 4.130 4.320 -0.007 0.000 0.262 164 K C -0.680 175.927 176.600 0.012 0.000 0.977 164 K CA 0.987 57.280 56.287 0.010 0.000 0.721 164 K CB -1.668 30.833 32.500 0.002 0.000 1.293 164 K HN 0.627 nan 8.250 nan 0.000 0.475 165 D N -1.058 119.353 120.400 0.019 0.000 2.596 165 D HA 0.289 4.925 4.640 -0.007 0.000 0.262 165 D C -0.296 176.025 176.300 0.034 0.000 1.210 165 D CA -0.095 53.920 54.000 0.024 0.000 0.873 165 D CB 1.367 42.178 40.800 0.018 0.000 1.408 165 D HN 0.069 nan 8.370 nan 0.000 0.441 166 T N -1.287 113.292 114.554 0.042 0.000 2.788 166 T HA 0.575 4.920 4.350 -0.007 0.000 0.280 166 T C 0.596 175.320 174.700 0.041 0.000 0.984 166 T CA -0.644 61.485 62.100 0.048 0.000 0.972 166 T CB 0.651 69.554 68.868 0.058 0.000 1.039 166 T HN 0.354 nan 8.240 nan 0.000 0.530 167 S N 0.167 115.891 115.700 0.040 0.000 2.672 167 S HA 0.357 4.822 4.470 -0.007 0.000 0.276 167 S C 1.029 175.657 174.600 0.046 0.000 1.207 167 S CA -0.962 57.260 58.200 0.037 0.000 1.002 167 S CB 0.906 64.126 63.200 0.033 0.000 0.998 167 S HN 0.637 nan 8.310 nan 0.000 0.542 168 L N 0.763 122.015 121.223 0.048 0.000 2.083 168 L HA 0.035 4.370 4.340 -0.007 0.000 0.209 168 L C 2.465 179.381 176.870 0.075 0.000 1.083 168 L CA 2.153 57.034 54.840 0.068 0.000 0.752 168 L CB -1.173 40.922 42.059 0.060 0.000 0.899 168 L HN 0.970 nan 8.230 nan 0.000 0.433 169 E N -0.885 119.346 120.200 0.053 0.000 2.110 169 E HA -0.182 4.164 4.350 -0.007 0.000 0.193 169 E C 2.005 178.626 176.600 0.034 0.000 0.988 169 E CA 2.004 58.430 56.400 0.043 0.000 0.804 169 E CB -0.442 29.277 29.700 0.031 0.000 0.745 169 E HN 0.507 nan 8.360 nan 0.000 0.458 170 T N 0.388 114.963 114.554 0.035 0.000 2.777 170 T HA -0.069 4.276 4.350 -0.007 0.000 0.266 170 T C 1.804 176.521 174.700 0.028 0.000 1.040 170 T CA 1.293 63.409 62.100 0.027 0.000 1.141 170 T CB -0.176 68.711 68.868 0.032 0.000 0.868 170 T HN 0.189 nan 8.240 nan 0.000 0.444 171 R N 0.729 121.262 120.500 0.053 0.000 2.120 171 R HA 0.023 4.359 4.340 -0.007 0.000 0.234 171 R C 2.687 179.007 176.300 0.033 0.000 1.123 171 R CA 1.033 57.176 56.100 0.073 0.000 0.975 171 R CB -0.177 30.199 30.300 0.127 0.000 0.866 171 R HN 0.356 nan 8.270 nan 0.000 0.446 172 R N 0.264 120.778 120.500 0.023 0.000 2.081 172 R HA -0.102 4.234 4.340 -0.007 0.000 0.235 172 R C 2.347 178.574 176.300 -0.122 0.000 1.131 172 R CA 1.114 57.141 56.100 -0.122 0.000 0.960 172 R CB -0.073 30.215 30.300 -0.019 0.000 0.856 172 R HN 0.170 nan 8.270 nan 0.000 0.436 173 Q N 0.532 120.302 119.800 -0.049 0.000 2.119 173 Q HA -0.073 4.262 4.340 -0.007 0.000 0.201 173 Q C 2.244 178.215 176.000 -0.049 0.000 0.972 173 Q CA 1.165 56.945 55.803 -0.039 0.000 0.847 173 Q CB -0.092 28.634 28.738 -0.021 0.000 0.903 173 Q HN 0.404 nan 8.270 nan 0.000 0.433 174 L N -0.031 121.162 121.223 -0.049 0.000 2.056 174 L HA -0.117 4.218 4.340 -0.007 0.000 0.207 174 L C 2.394 179.216 176.870 -0.080 0.000 1.078 174 L CA 1.015 55.820 54.840 -0.058 0.000 0.749 174 L CB -0.594 41.444 42.059 -0.035 0.000 0.901 174 L HN 0.113 nan 8.230 nan 0.000 0.433 175 A N 0.019 122.778 122.820 -0.102 0.000 1.933 175 A HA -0.223 4.092 4.320 -0.007 0.000 0.218 175 A C 2.189 179.761 177.584 -0.019 0.000 1.175 175 A CA 1.562 53.528 52.037 -0.120 0.000 0.628 175 A CB -0.634 18.224 19.000 -0.237 0.000 0.814 175 A HN 0.334 nan 8.150 nan 0.000 0.444 176 L N -0.101 121.114 121.223 -0.014 0.000 2.046 176 L HA -0.145 4.191 4.340 -0.007 0.000 0.208 176 L C 2.158 179.063 176.870 0.058 0.000 1.077 176 L CA 2.255 57.130 54.840 0.057 0.000 0.747 176 L CB -0.536 41.529 42.059 0.010 0.000 0.896 176 L HN 0.325 nan 8.230 nan 0.000 0.432 177 K N -0.514 119.885 120.400 -0.002 0.000 2.057 177 K HA -0.120 4.196 4.320 -0.007 0.000 0.207 177 K C 2.076 178.669 176.600 -0.011 0.000 1.049 177 K CA 1.371 57.650 56.287 -0.014 0.000 0.931 177 K CB -0.383 32.078 32.500 -0.065 0.000 0.714 177 K HN 0.511 nan 8.250 nan 0.000 0.440 178 A N 0.812 123.586 122.820 -0.077 0.000 1.898 178 A HA -0.132 4.184 4.320 -0.007 0.000 0.216 178 A C 1.899 179.442 177.584 -0.067 0.000 1.181 178 A CA 1.246 53.205 52.037 -0.131 0.000 0.620 178 A CB -0.629 18.210 19.000 -0.269 0.000 0.819 178 A HN 0.173 nan 8.150 nan 0.000 0.442 179 F N 0.776 120.743 119.950 0.028 0.000 2.234 179 F HA -0.079 4.444 4.527 -0.007 0.000 0.299 179 F C 2.656 178.480 175.800 0.040 0.000 1.087 179 F CA 1.648 59.666 58.000 0.030 0.000 1.340 179 F CB -0.885 38.121 39.000 0.009 0.000 1.031 179 F HN 0.145 nan 8.300 nan 0.000 0.500 180 T N -2.164 112.518 114.554 0.214 0.000 2.821 180 T HA -0.214 4.132 4.350 -0.007 0.000 0.267 180 T C 1.730 176.521 174.700 0.152 0.000 1.046 180 T CA 1.645 63.833 62.100 0.147 0.000 1.139 180 T CB -0.418 68.514 68.868 0.107 0.000 0.871 180 T HN 0.299 nan 8.240 nan 0.000 0.454 181 H N 1.361 120.455 119.070 0.039 0.000 2.326 181 H HA -0.074 4.478 4.556 -0.007 0.000 0.301 181 H C 2.492 177.850 175.328 0.051 0.000 1.081 181 H CA 2.199 58.261 56.048 0.022 0.000 1.334 181 H CB -0.332 29.414 29.762 -0.027 0.000 1.385 181 H HN 0.410 nan 8.280 nan 0.000 0.504 182 T N -2.289 112.333 114.554 0.113 0.000 2.904 182 T HA 0.020 4.365 4.350 -0.007 0.000 0.267 182 T C 2.254 177.014 174.700 0.101 0.000 1.059 182 T CA 0.909 63.052 62.100 0.071 0.000 1.137 182 T CB -0.712 68.209 68.868 0.088 0.000 0.879 182 T HN 0.384 nan 8.240 nan 0.000 0.467 183 A N 1.785 124.673 122.820 0.114 0.000 1.908 183 A HA -0.142 4.173 4.320 -0.007 0.000 0.218 183 A C 2.474 180.081 177.584 0.038 0.000 1.181 183 A CA 1.698 53.780 52.037 0.075 0.000 0.627 183 A CB -0.872 18.172 19.000 0.073 0.000 0.818 183 A HN 0.638 nan 8.150 nan 0.000 0.445 184 Q N -2.335 117.488 119.800 0.038 0.000 2.167 184 Q HA -0.168 4.167 4.340 -0.007 0.000 0.202 184 Q C 1.966 177.970 176.000 0.007 0.000 0.970 184 Q CA 1.563 57.374 55.803 0.013 0.000 0.855 184 Q CB -0.277 28.469 28.738 0.015 0.000 0.911 184 Q HN 0.824 nan 8.270 nan 0.000 0.438 185 Y N 1.729 121.945 120.300 -0.141 0.000 2.145 185 Y HA -0.228 4.318 4.550 -0.007 0.000 0.286 185 Y C 1.603 177.403 175.900 -0.167 0.000 1.145 185 Y CA 1.710 59.712 58.100 -0.163 0.000 1.148 185 Y CB 0.031 38.374 38.460 -0.195 0.000 0.981 185 Y HN 0.069 nan 8.280 nan 0.000 0.507 186 D N -0.303 120.063 120.400 -0.057 0.000 2.224 186 D HA -0.142 4.493 4.640 -0.007 0.000 0.205 186 D C 2.118 178.312 176.300 -0.177 0.000 0.965 186 D CA 0.954 54.854 54.000 -0.167 0.000 0.852 186 D CB -0.201 40.555 40.800 -0.073 0.000 0.947 186 D HN 0.423 nan 8.370 nan 0.000 0.494 187 E N 0.904 121.038 120.200 -0.109 0.000 2.072 187 E HA -0.127 4.219 4.350 -0.007 0.000 0.191 187 E C 1.838 178.372 176.600 -0.110 0.000 0.985 187 E CA 0.982 57.329 56.400 -0.088 0.000 0.801 187 E CB 0.010 29.683 29.700 -0.044 0.000 0.750 187 E HN 0.159 nan 8.360 nan 0.000 0.452 188 A N 1.056 123.801 122.820 -0.125 0.000 1.930 188 A HA -0.080 4.236 4.320 -0.007 0.000 0.217 188 A C 2.384 179.918 177.584 -0.084 0.000 1.175 188 A CA 1.068 53.062 52.037 -0.072 0.000 0.627 188 A CB -0.490 18.483 19.000 -0.045 0.000 0.815 188 A HN 0.292 nan 8.150 nan 0.000 0.443 189 I N 0.565 120.922 120.570 -0.355 0.000 2.163 189 I HA -0.235 3.931 4.170 -0.007 0.000 0.240 189 I C 2.916 178.934 176.117 -0.165 0.000 1.081 189 I CA 1.618 62.643 61.300 -0.457 0.000 1.353 189 I CB -0.407 37.139 38.000 -0.757 0.000 1.054 189 I HN 0.496 nan 8.210 nan 0.000 0.407 190 S N 0.195 115.767 115.700 -0.213 0.000 2.399 190 S HA -0.267 4.198 4.470 -0.007 0.000 0.231 190 S C 1.643 176.237 174.600 -0.010 0.000 1.022 190 S CA 1.691 59.815 58.200 -0.127 0.000 0.983 190 S CB -0.563 62.560 63.200 -0.129 0.000 0.803 190 S HN 0.476 nan 8.310 nan 0.000 0.480 191 D N 0.341 120.713 120.400 -0.046 0.000 2.144 191 D HA -0.169 4.467 4.640 -0.007 0.000 0.200 191 D C 1.753 178.084 176.300 0.051 0.000 0.978 191 D CA 1.081 55.028 54.000 -0.089 0.000 0.833 191 D CB -0.456 40.267 40.800 -0.127 0.000 0.961 191 D HN 0.500 nan 8.370 nan 0.000 0.470 192 Y N -0.291 120.041 120.300 0.054 0.000 2.145 192 Y HA -0.138 4.407 4.550 -0.007 0.000 0.286 192 Y C 1.799 177.752 175.900 0.089 0.000 1.145 192 Y CA 1.461 59.629 58.100 0.114 0.000 1.148 192 Y CB -0.546 38.114 38.460 0.333 0.000 0.981 192 Y HN -0.054 nan 8.280 nan 0.000 0.507 193 F N 0.371 120.296 119.950 -0.042 0.000 2.171 193 F HA -0.150 4.372 4.527 -0.007 0.000 0.300 193 F C 2.514 178.234 175.800 -0.135 0.000 1.090 193 F CA 1.536 59.466 58.000 -0.118 0.000 1.293 193 F CB -0.665 38.425 39.000 0.150 0.000 1.013 193 F HN -0.027 nan 8.300 nan 0.000 0.486 194 R N 0.184 120.736 120.500 0.087 0.000 2.073 194 R HA -0.156 4.180 4.340 -0.007 0.000 0.234 194 R C 2.149 178.400 176.300 -0.081 0.000 1.134 194 R CA 1.529 57.636 56.100 0.012 0.000 0.952 194 R CB -0.305 29.976 30.300 -0.031 0.000 0.850 194 R HN 0.239 nan 8.270 nan 0.000 0.433 195 K N -0.067 120.243 120.400 -0.150 0.000 2.148 195 K HA -0.116 4.199 4.320 -0.007 0.000 0.204 195 K C 2.157 178.573 176.600 -0.306 0.000 1.050 195 K CA 1.000 57.172 56.287 -0.192 0.000 0.942 195 K CB 0.136 32.535 32.500 -0.169 0.000 0.724 195 K HN 0.115 nan 8.250 nan 0.000 0.446 196 Q N -0.849 118.621 119.800 -0.551 0.000 2.250 196 Q HA -0.013 4.322 4.340 -0.007 0.000 0.200 196 Q C 1.157 176.830 176.000 -0.544 0.000 0.941 196 Q CA 1.266 56.637 55.803 -0.720 0.000 0.872 196 Q CB 0.288 28.262 28.738 -1.272 0.000 0.965 196 Q HN 0.442 nan 8.270 nan 0.000 0.480 197 Y N -1.438 118.737 120.300 -0.208 0.000 2.445 197 Y HA 0.334 4.880 4.550 -0.008 0.000 0.247 197 Y C 1.296 177.148 175.900 -0.081 0.000 1.129 197 Y CA -0.394 57.618 58.100 -0.146 0.000 1.251 197 Y CB 0.768 39.134 38.460 -0.157 0.000 1.176 197 Y HN -0.138 nan 8.280 nan 0.000 0.522 198 S N 0.172 115.901 115.700 0.049 0.000 2.902 198 S HA 0.156 4.622 4.470 -0.007 0.000 0.250 198 S C -0.045 174.553 174.600 -0.004 0.000 1.046 198 S CA -0.574 57.648 58.200 0.036 0.000 1.069 198 S CB -0.218 63.017 63.200 0.060 0.000 0.967 198 S HN 0.186 nan 8.310 nan 0.000 0.530 199 K N 0.787 121.169 120.400 -0.030 0.000 2.447 199 K HA 0.329 4.645 4.320 -0.007 0.000 0.281 199 K C 1.181 177.765 176.600 -0.027 0.000 1.031 199 K CA 1.330 57.595 56.287 -0.037 0.000 1.019 199 K CB -0.085 32.383 32.500 -0.054 0.000 0.918 199 K HN 0.389 nan 8.250 nan 0.000 0.476 200 G N 2.164 110.948 108.800 -0.026 0.000 2.179 200 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.260 200 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.260 200 G C 0.448 175.330 174.900 -0.030 0.000 0.977 200 G CA 0.349 45.431 45.100 -0.031 0.000 0.641 200 G HN 0.471 nan 8.290 nan 0.000 0.533 201 V N 0.563 120.466 119.914 -0.019 0.000 2.784 201 V HA 0.256 4.371 4.120 -0.007 0.000 0.231 201 V C 2.376 178.462 176.094 -0.012 0.000 1.128 201 V CA 2.271 64.561 62.300 -0.016 0.000 1.178 201 V CB 0.252 32.074 31.823 -0.002 0.000 0.943 201 V HN 0.942 nan 8.190 nan 0.000 0.500 202 S N -1.215 114.491 115.700 0.010 0.000 2.539 202 S HA 0.237 4.703 4.470 -0.007 0.000 0.221 202 S C 0.472 175.107 174.600 0.058 0.000 0.987 202 S CA -0.130 58.087 58.200 0.029 0.000 0.929 202 S CB 0.397 63.627 63.200 0.050 0.000 0.832 202 S HN 0.450 nan 8.310 nan 0.000 0.492 203 Q N 0.929 120.751 119.800 0.036 0.000 2.379 203 Q HA 0.553 4.888 4.340 -0.007 0.000 0.278 203 Q C -2.044 173.966 176.000 0.016 0.000 1.068 203 Q CA -0.452 55.384 55.803 0.055 0.000 0.816 203 Q CB 2.228 30.980 28.738 0.022 0.000 1.387 203 Q HN 0.518 nan 8.270 nan 0.000 0.413 204 M N 4.751 124.365 119.600 0.023 0.000 2.149 204 M HA 0.440 4.916 4.480 -0.007 0.000 0.273 204 M C -2.692 173.609 176.300 0.002 0.000 0.972 204 M CA -1.536 53.759 55.300 -0.008 0.000 0.984 204 M CB 2.369 34.947 32.600 -0.037 0.000 1.699 204 M HN 0.226 nan 8.290 nan 0.000 0.462 205 P HA 0.287 nan 4.420 nan 0.000 0.271 205 P C -1.349 175.947 177.300 -0.007 0.000 1.216 205 P CA -0.025 63.078 63.100 0.004 0.000 0.776 205 P CB 0.593 32.289 31.700 -0.006 0.000 0.881 206 L N 3.015 124.244 121.223 0.009 0.000 2.342 206 L HA 0.476 4.812 4.340 -0.007 0.000 0.271 206 L C 2.003 178.849 176.870 -0.040 0.000 1.008 206 L CA -0.862 53.965 54.840 -0.021 0.000 0.818 206 L CB 1.997 44.070 42.059 0.024 0.000 1.296 206 L HN 0.401 nan 8.230 nan 0.000 0.427 207 R N 1.627 122.046 120.500 -0.134 0.000 2.091 207 R HA -0.117 4.219 4.340 -0.007 0.000 0.238 207 R C -0.388 175.903 176.300 -0.016 0.000 1.136 207 R CA 1.491 57.514 56.100 -0.129 0.000 0.959 207 R CB -0.374 29.771 30.300 -0.259 0.000 0.856 207 R HN 0.615 nan 8.270 nan 0.000 0.437 208 Y N -3.960 116.364 120.300 0.040 0.000 2.779 208 Y HA 0.618 5.163 4.550 -0.008 0.000 0.340 208 Y C 0.205 176.102 175.900 -0.005 0.000 1.252 208 Y CA -1.141 56.960 58.100 0.003 0.000 1.072 208 Y CB 0.216 38.661 38.460 -0.025 0.000 1.343 208 Y HN -0.042 nan 8.280 nan 0.000 0.450 209 G N 0.372 109.255 108.800 0.137 0.000 3.152 209 G HA2 0.207 4.162 3.960 -0.007 0.000 0.157 209 G HA3 0.207 4.162 3.960 -0.007 0.000 0.157 209 G C 0.548 175.299 174.900 -0.248 0.000 1.786 209 G CA 0.138 45.079 45.100 -0.264 0.000 1.055 209 G HN 0.704 nan 8.290 nan 0.000 0.528 210 M N 0.282 119.561 119.600 -0.534 0.000 2.202 210 M HA 0.077 4.552 4.480 -0.007 0.000 0.262 210 M C 0.253 176.524 176.300 -0.049 0.000 1.063 210 M CA 0.971 56.122 55.300 -0.248 0.000 1.097 210 M CB -0.301 32.148 32.600 -0.251 0.000 1.382 210 M HN 0.313 nan 8.290 nan 0.000 0.413 211 N N -2.164 116.442 118.700 -0.157 0.000 2.416 211 N HA 0.257 4.993 4.740 -0.007 0.000 0.276 211 N C -2.432 172.769 175.510 -0.515 0.000 1.261 211 N CA -1.195 51.712 53.050 -0.239 0.000 0.790 211 N CB 1.236 39.628 38.487 -0.157 0.000 1.554 211 N HN -0.280 nan 8.380 nan 0.000 0.481 212 P HA -0.199 nan 4.420 nan 0.000 0.217 212 P C 1.091 178.205 177.300 -0.310 0.000 1.151 212 P CA 1.581 64.143 63.100 -0.897 0.000 0.849 212 P CB -0.089 31.270 31.700 -0.568 0.000 0.787 213 H N -1.441 117.507 119.070 -0.202 0.000 2.547 213 H HA 0.084 4.636 4.556 -0.008 0.000 0.272 213 H C 0.226 175.522 175.328 -0.053 0.000 0.989 213 H CA 0.378 56.368 56.048 -0.096 0.000 1.214 213 H CB -0.736 28.982 29.762 -0.073 0.000 1.389 213 H HN 0.233 nan 8.280 nan 0.000 0.577 214 Q N 1.864 121.412 119.800 -0.419 0.000 2.490 214 Q HA 0.251 4.586 4.340 -0.007 0.000 0.226 214 Q C -0.519 175.438 176.000 -0.070 0.000 1.132 214 Q CA -0.177 55.473 55.803 -0.256 0.000 0.928 214 Q CB 1.194 29.720 28.738 -0.353 0.000 1.299 214 Q HN 0.221 nan 8.270 nan 0.000 0.528 215 T N 1.577 116.124 114.554 -0.011 0.000 2.900 215 T HA 0.624 4.969 4.350 -0.007 0.000 0.295 215 T C -2.198 172.523 174.700 0.034 0.000 1.044 215 T CA -1.474 60.650 62.100 0.040 0.000 0.995 215 T CB 1.202 70.106 68.868 0.061 0.000 1.072 215 T HN 0.393 nan 8.240 nan 0.000 0.473 216 P HA 0.827 nan 4.420 nan 0.000 0.293 216 P C -1.474 175.871 177.300 0.076 0.000 1.304 216 P CA -0.723 62.412 63.100 0.060 0.000 0.767 216 P CB 0.940 32.670 31.700 0.051 0.000 1.247 217 A N -0.241 122.638 122.820 0.098 0.000 2.604 217 A HA 0.631 4.946 4.320 -0.007 0.000 0.295 217 A C -1.402 176.268 177.584 0.143 0.000 1.067 217 A CA -0.553 51.575 52.037 0.152 0.000 0.683 217 A CB 1.754 20.871 19.000 0.195 0.000 1.281 217 A HN 0.784 nan 8.150 nan 0.000 0.407 218 Q N 0.018 119.924 119.800 0.177 0.000 2.575 218 Q HA 0.750 5.086 4.340 -0.007 0.000 0.290 218 Q C -1.980 174.086 176.000 0.111 0.000 0.963 218 Q CA -0.879 55.005 55.803 0.134 0.000 0.783 218 Q CB 1.611 30.440 28.738 0.152 0.000 1.467 218 Q HN 1.166 nan 8.270 nan 0.000 0.402 219 L N 2.322 123.576 121.223 0.052 0.000 2.346 219 L HA 0.790 5.125 4.340 -0.007 0.000 0.276 219 L C -1.706 175.208 176.870 0.074 0.000 1.006 219 L CA -0.338 54.476 54.840 -0.043 0.000 0.817 219 L CB 1.577 43.560 42.059 -0.127 0.000 1.272 219 L HN 0.763 nan 8.230 nan 0.000 0.421 220 Y N 0.934 121.198 120.300 -0.060 0.000 2.670 220 Y HA 0.811 5.356 4.550 -0.007 0.000 0.334 220 Y C -1.051 174.825 175.900 -0.040 0.000 1.185 220 Y CA -0.884 57.190 58.100 -0.043 0.000 1.053 220 Y CB 1.355 39.805 38.460 -0.016 0.000 1.298 220 Y HN 0.677 nan 8.280 nan 0.000 0.459 221 T N 1.190 115.862 114.554 0.198 0.000 2.896 221 T HA 0.444 4.789 4.350 -0.007 0.000 0.297 221 T C -0.521 174.300 174.700 0.203 0.000 1.108 221 T CA -0.752 61.414 62.100 0.111 0.000 1.004 221 T CB 1.064 69.944 68.868 0.020 0.000 1.159 221 T HN 0.669 nan 8.240 nan 0.000 0.499 222 L N 2.103 123.419 121.223 0.155 0.000 2.592 222 L HA 0.323 4.659 4.340 -0.007 0.000 0.227 222 L C 1.164 178.085 176.870 0.085 0.000 1.127 222 L CA 0.562 55.478 54.840 0.127 0.000 0.884 222 L CB -0.989 41.135 42.059 0.109 0.000 1.065 222 L HN 0.599 nan 8.230 nan 0.000 0.457 223 Q N 0.013 119.864 119.800 0.084 0.000 2.249 223 Q HA 0.250 4.586 4.340 -0.007 0.000 0.226 223 Q C -1.236 174.798 176.000 0.056 0.000 0.983 223 Q CA -1.713 54.132 55.803 0.070 0.000 0.930 223 Q CB 0.362 29.152 28.738 0.087 0.000 1.193 223 Q HN -0.097 nan 8.270 nan 0.000 0.508 224 P HA -0.067 nan 4.420 nan 0.000 0.220 224 P C -0.246 177.069 177.300 0.026 0.000 1.148 224 P CA 1.446 64.567 63.100 0.036 0.000 0.803 224 P CB 0.414 32.131 31.700 0.029 0.000 0.782 225 K N -1.009 119.400 120.400 0.015 0.000 2.546 225 K HA 0.278 4.594 4.320 -0.007 0.000 0.264 225 K C -1.087 175.484 176.600 -0.048 0.000 0.937 225 K CA -0.781 55.499 56.287 -0.012 0.000 0.833 225 K CB 1.192 33.681 32.500 -0.017 0.000 1.378 225 K HN -0.188 nan 8.250 nan 0.000 0.432 226 L N 4.524 125.699 121.223 -0.079 0.000 2.461 226 L HA 0.173 4.508 4.340 -0.007 0.000 0.272 226 L C -1.267 175.472 176.870 -0.219 0.000 1.197 226 L CA -1.169 53.576 54.840 -0.158 0.000 0.836 226 L CB 0.703 42.675 42.059 -0.145 0.000 1.105 226 L HN 0.632 nan 8.230 nan 0.000 0.477 227 P HA 0.065 nan 4.420 nan 0.000 0.249 227 P C 0.096 177.188 177.300 -0.346 0.000 1.229 227 P CA 0.740 63.595 63.100 -0.408 0.000 0.788 227 P CB 0.335 31.532 31.700 -0.837 0.000 1.072 228 I N -0.074 120.310 120.570 -0.311 0.000 2.392 228 I HA 0.242 4.408 4.170 -0.007 0.000 0.295 228 I C 0.071 176.084 176.117 -0.174 0.000 0.985 228 I CA -0.303 60.841 61.300 -0.259 0.000 1.221 228 I CB 1.808 39.655 38.000 -0.256 0.000 1.366 228 I HN -0.318 nan 8.210 nan 0.000 0.467 229 T N 5.324 119.794 114.554 -0.139 0.000 2.786 229 T HA 0.322 4.668 4.350 -0.007 0.000 0.283 229 T C -0.230 174.419 174.700 -0.086 0.000 0.992 229 T CA -0.459 61.583 62.100 -0.097 0.000 0.954 229 T CB 1.463 70.287 68.868 -0.073 0.000 0.934 229 T HN 0.157 nan 8.240 nan 0.000 0.440 230 V N 5.893 125.756 119.914 -0.085 0.000 2.415 230 V HA 0.145 4.261 4.120 -0.007 0.000 0.267 230 V C 1.174 177.216 176.094 -0.087 0.000 1.042 230 V CA 0.130 62.378 62.300 -0.086 0.000 1.000 230 V CB 0.178 31.952 31.823 -0.081 0.000 1.015 230 V HN 0.853 nan 8.190 nan 0.000 0.478 231 L N 3.379 124.535 121.223 -0.111 0.000 2.463 231 L HA 0.322 4.657 4.340 -0.007 0.000 0.219 231 L C 0.751 177.547 176.870 -0.124 0.000 1.088 231 L CA 0.480 55.247 54.840 -0.122 0.000 0.849 231 L CB 0.040 41.995 42.059 -0.173 0.000 1.012 231 L HN 0.714 nan 8.230 nan 0.000 0.468 232 N N -1.296 117.325 118.700 -0.132 0.000 2.598 232 N HA 0.494 5.230 4.740 -0.007 0.000 0.263 232 N C -0.147 175.301 175.510 -0.103 0.000 1.254 232 N CA 0.564 53.550 53.050 -0.106 0.000 0.863 232 N CB 1.618 40.042 38.487 -0.105 0.000 1.586 232 N HN 0.139 nan 8.380 nan 0.000 0.491 233 G N 0.979 109.737 108.800 -0.071 0.000 2.601 233 G HA2 0.340 4.295 3.960 -0.007 0.000 0.252 233 G HA3 0.340 4.295 3.960 -0.007 0.000 0.252 233 G C -0.770 174.089 174.900 -0.068 0.000 1.294 233 G CA 0.018 45.078 45.100 -0.066 0.000 0.912 233 G HN 1.430 nan 8.290 nan 0.000 0.574 234 A N 0.434 123.214 122.820 -0.066 0.000 2.497 234 A HA 0.776 5.092 4.320 -0.007 0.000 0.280 234 A C -2.049 175.495 177.584 -0.067 0.000 1.065 234 A CA -0.063 51.935 52.037 -0.065 0.000 0.781 234 A CB 1.737 20.703 19.000 -0.058 0.000 1.289 234 A HN 1.059 nan 8.150 nan 0.000 0.415 235 P HA 0.401 nan 4.420 nan 0.000 0.271 235 P C 0.417 177.661 177.300 -0.094 0.000 1.218 235 P CA 0.357 63.416 63.100 -0.067 0.000 0.780 235 P CB 1.431 33.076 31.700 -0.090 0.000 0.901 236 G N 0.474 109.219 108.800 -0.091 0.000 2.705 236 G HA2 0.286 4.242 3.960 -0.007 0.000 0.299 236 G HA3 0.286 4.242 3.960 -0.007 0.000 0.299 236 G C 0.116 174.989 174.900 -0.044 0.000 1.315 236 G CA -0.734 44.299 45.100 -0.112 0.000 1.045 236 G HN 0.388 nan 8.290 nan 0.000 0.517 237 F N -0.218 119.650 119.950 -0.137 0.000 2.075 237 F HA -0.043 4.479 4.527 -0.008 0.000 0.297 237 F C 2.518 178.280 175.800 -0.063 0.000 1.113 237 F CA 1.514 59.469 58.000 -0.076 0.000 1.218 237 F CB -0.025 38.962 39.000 -0.021 0.000 0.984 237 F HN 0.224 nan 8.300 nan 0.000 0.472 238 I N -0.039 120.701 120.570 0.283 0.000 2.394 238 I HA -0.307 3.859 4.170 -0.007 0.000 0.251 238 I C 1.890 177.994 176.117 -0.022 0.000 1.136 238 I CA 1.437 62.839 61.300 0.171 0.000 1.425 238 I CB -0.749 37.353 38.000 0.170 0.000 1.079 238 I HN 0.244 nan 8.210 nan 0.000 0.425 239 N N 1.033 119.687 118.700 -0.076 0.000 2.061 239 N HA -0.200 4.535 4.740 -0.007 0.000 0.193 239 N C 1.918 177.088 175.510 -0.566 0.000 1.030 239 N CA 1.163 54.045 53.050 -0.280 0.000 0.856 239 N CB -0.131 38.274 38.487 -0.137 0.000 1.023 239 N HN 0.260 nan 8.380 nan 0.000 0.424 240 L N 0.245 121.241 121.223 -0.378 0.000 2.093 240 L HA -0.168 4.167 4.340 -0.007 0.000 0.208 240 L C 2.339 179.001 176.870 -0.347 0.000 1.085 240 L CA 0.696 55.297 54.840 -0.399 0.000 0.755 240 L CB -0.431 41.409 42.059 -0.365 0.000 0.904 240 L HN 0.397 nan 8.230 nan 0.000 0.435 241 C N -0.299 118.850 119.300 -0.251 0.000 2.429 241 C HA -0.149 4.307 4.460 -0.007 0.000 0.277 241 C C 2.454 177.378 174.990 -0.110 0.000 1.262 241 C CA 0.451 59.394 59.018 -0.125 0.000 1.733 241 C CB -0.730 27.022 27.740 0.020 0.000 2.010 241 C HN 0.547 nan 8.230 nan 0.000 0.483 242 D N 0.976 121.281 120.400 -0.158 0.000 2.084 242 D HA -0.068 4.567 4.640 -0.007 0.000 0.196 242 D C 2.364 178.383 176.300 -0.467 0.000 0.985 242 D CA 1.742 55.652 54.000 -0.150 0.000 0.826 242 D CB -0.593 40.181 40.800 -0.044 0.000 0.978 242 D HN 0.466 nan 8.370 nan 0.000 0.456 243 A N 0.888 123.294 122.820 -0.690 0.000 1.908 243 A HA -0.138 4.178 4.320 -0.007 0.000 0.218 243 A C 2.433 179.843 177.584 -0.290 0.000 1.181 243 A CA 1.073 52.768 52.037 -0.571 0.000 0.627 243 A CB -0.815 17.717 19.000 -0.779 0.000 0.818 243 A HN 0.203 nan 8.150 nan 0.000 0.445 244 L N -0.507 120.557 121.223 -0.265 0.000 2.156 244 L HA -0.121 4.214 4.340 -0.007 0.000 0.208 244 L C 2.293 179.084 176.870 -0.131 0.000 1.095 244 L CA 0.852 55.617 54.840 -0.125 0.000 0.770 244 L CB -0.504 41.487 42.059 -0.113 0.000 0.914 244 L HN 0.399 nan 8.230 nan 0.000 0.439 245 N N 0.273 118.828 118.700 -0.241 0.000 2.207 245 N HA -0.079 4.656 4.740 -0.007 0.000 0.182 245 N C 1.936 177.042 175.510 -0.673 0.000 1.020 245 N CA 1.369 54.241 53.050 -0.297 0.000 0.858 245 N CB -0.013 38.481 38.487 0.011 0.000 0.991 245 N HN 0.266 nan 8.380 nan 0.000 0.427 246 A N 1.578 123.794 122.820 -1.006 0.000 1.933 246 A HA -0.160 4.155 4.320 -0.007 0.000 0.218 246 A C 2.027 179.413 177.584 -0.330 0.000 1.175 246 A CA 0.907 52.413 52.037 -0.886 0.000 0.628 246 A CB -1.099 17.445 19.000 -0.761 0.000 0.814 246 A HN 0.605 nan 8.150 nan 0.000 0.444 247 W N 0.814 121.901 121.300 -0.354 0.000 2.335 247 W HA -0.253 4.402 4.660 -0.008 0.000 0.311 247 W C 1.995 178.366 176.519 -0.247 0.000 1.213 247 W CA 2.040 59.253 57.345 -0.220 0.000 1.274 247 W CB -0.368 28.991 29.460 -0.169 0.000 1.148 247 W HN 0.515 nan 8.180 nan 0.000 0.498 248 Q N 0.603 120.097 119.800 -0.511 0.000 2.124 248 Q HA -0.233 4.103 4.340 -0.007 0.000 0.202 248 Q C 2.490 178.053 176.000 -0.728 0.000 0.977 248 Q CA 1.797 57.210 55.803 -0.649 0.000 0.850 248 Q CB -0.558 27.800 28.738 -0.632 0.000 0.901 248 Q HN 0.406 nan 8.270 nan 0.000 0.429 249 L N 0.752 121.491 121.223 -0.807 0.000 1.994 249 L HA -0.189 4.146 4.340 -0.007 0.000 0.208 249 L C 2.377 179.110 176.870 -0.227 0.000 1.071 249 L CA 1.462 56.056 54.840 -0.410 0.000 0.745 249 L CB -0.289 41.690 42.059 -0.134 0.000 0.892 249 L HN 0.237 nan 8.230 nan 0.000 0.431 250 V N -2.746 117.003 119.914 -0.276 0.000 2.453 250 V HA -0.240 3.876 4.120 -0.007 0.000 0.247 250 V C 2.497 178.386 176.094 -0.342 0.000 1.048 250 V CA 1.900 64.062 62.300 -0.231 0.000 1.049 250 V CB -0.872 30.845 31.823 -0.176 0.000 0.672 250 V HN 0.467 nan 8.190 nan 0.000 0.457 251 K N 0.452 120.492 120.400 -0.600 0.000 2.032 251 K HA -0.231 4.085 4.320 -0.007 0.000 0.209 251 K C 2.282 178.707 176.600 -0.292 0.000 1.048 251 K CA 2.212 58.149 56.287 -0.583 0.000 0.927 251 K CB -0.232 31.770 32.500 -0.831 0.000 0.712 251 K HN 0.661 nan 8.250 nan 0.000 0.441 252 E N 0.460 120.524 120.200 -0.227 0.000 2.110 252 E HA -0.163 4.183 4.350 -0.007 0.000 0.193 252 E C 2.095 178.664 176.600 -0.051 0.000 0.988 252 E CA 0.884 57.232 56.400 -0.086 0.000 0.804 252 E CB 0.022 29.731 29.700 0.015 0.000 0.745 252 E HN 0.297 nan 8.360 nan 0.000 0.458 253 L N 0.742 121.930 121.223 -0.058 0.000 2.056 253 L HA -0.209 4.126 4.340 -0.007 0.000 0.207 253 L C 2.499 179.345 176.870 -0.040 0.000 1.078 253 L CA 1.009 55.834 54.840 -0.026 0.000 0.749 253 L CB -0.229 41.821 42.059 -0.015 0.000 0.901 253 L HN 0.039 nan 8.230 nan 0.000 0.433 254 K N 0.798 121.153 120.400 -0.075 0.000 2.009 254 K HA -0.227 4.089 4.320 -0.007 0.000 0.210 254 K C 1.844 178.415 176.600 -0.049 0.000 1.049 254 K CA 1.789 58.036 56.287 -0.066 0.000 0.929 254 K CB -0.213 32.226 32.500 -0.101 0.000 0.714 254 K HN 0.267 nan 8.250 nan 0.000 0.440 255 E N -0.602 119.562 120.200 -0.059 0.000 2.085 255 E HA -0.182 4.163 4.350 -0.007 0.000 0.194 255 E C 1.929 178.518 176.600 -0.019 0.000 0.994 255 E CA 1.264 57.641 56.400 -0.038 0.000 0.801 255 E CB -0.223 29.451 29.700 -0.044 0.000 0.743 255 E HN 0.461 nan 8.360 nan 0.000 0.453 256 A N 0.455 123.268 122.820 -0.012 0.000 1.929 256 A HA -0.073 4.242 4.320 -0.007 0.000 0.216 256 A C 1.973 179.560 177.584 0.004 0.000 1.176 256 A CA 1.037 53.078 52.037 0.007 0.000 0.628 256 A CB -0.120 18.896 19.000 0.027 0.000 0.816 256 A HN 0.147 nan 8.150 nan 0.000 0.444 257 L N -2.223 118.997 121.223 -0.004 0.000 2.731 257 L HA 0.312 4.647 4.340 -0.007 0.000 0.240 257 L C 1.609 178.474 176.870 -0.008 0.000 1.120 257 L CA 0.447 55.283 54.840 -0.006 0.000 0.913 257 L CB 0.266 42.320 42.059 -0.008 0.000 1.213 257 L HN 0.509 nan 8.230 nan 0.000 0.515 258 G N 1.368 110.161 108.800 -0.011 0.000 2.189 258 G HA2 -0.297 3.658 3.960 -0.007 0.000 0.267 258 G HA3 -0.297 3.658 3.960 -0.007 0.000 0.267 258 G C 0.229 175.125 174.900 -0.007 0.000 0.975 258 G CA 0.364 45.459 45.100 -0.010 0.000 0.644 258 G HN 0.313 nan 8.290 nan 0.000 0.537 259 I N 1.018 121.584 120.570 -0.007 0.000 2.493 259 I HA 0.357 4.522 4.170 -0.007 0.000 0.298 259 I C -2.114 174.002 176.117 -0.002 0.000 0.998 259 I CA -2.749 58.551 61.300 -0.001 0.000 1.137 259 I CB 1.973 39.976 38.000 0.005 0.000 1.310 259 I HN -0.208 nan 8.210 nan 0.000 0.445 260 P HA 0.041 nan 4.420 nan 0.000 0.264 260 P C -0.990 176.318 177.300 0.014 0.000 1.183 260 P CA 0.179 63.282 63.100 0.004 0.000 0.763 260 P CB 0.567 32.274 31.700 0.012 0.000 0.807 261 A N 2.424 125.247 122.820 0.006 0.000 2.413 261 A HA 0.872 5.187 4.320 -0.007 0.000 0.307 261 A C -1.029 176.585 177.584 0.049 0.000 1.087 261 A CA -0.449 51.600 52.037 0.020 0.000 0.750 261 A CB 1.762 20.754 19.000 -0.013 0.000 1.296 261 A HN 0.517 nan 8.150 nan 0.000 0.423 262 A N -0.152 122.726 122.820 0.096 0.000 2.539 262 A HA 0.970 5.285 4.320 -0.007 0.000 0.296 262 A C -0.470 177.235 177.584 0.201 0.000 1.073 262 A CA -0.015 52.124 52.037 0.169 0.000 0.700 262 A CB 1.503 20.666 19.000 0.272 0.000 1.296 262 A HN 2.555 nan 8.150 nan 0.000 0.405 263 A N 0.014 122.995 122.820 0.269 0.000 2.515 263 A HA 0.828 5.143 4.320 -0.007 0.000 0.298 263 A C -0.546 177.296 177.584 0.430 0.000 1.059 263 A CA -0.027 52.205 52.037 0.325 0.000 0.698 263 A CB 1.564 20.776 19.000 0.352 0.000 1.289 263 A HN 1.822 nan 8.150 nan 0.000 0.404 264 S N 1.104 117.052 115.700 0.413 0.000 2.640 264 S HA 0.713 5.178 4.470 -0.007 0.000 0.320 264 S C -1.471 173.373 174.600 0.406 0.000 1.097 264 S CA -0.274 58.173 58.200 0.412 0.000 1.092 264 S CB -0.248 63.113 63.200 0.269 0.000 0.988 264 S HN 0.444 nan 8.310 nan 0.000 0.470 265 F N 3.447 123.540 119.950 0.239 0.000 2.458 265 F HA 0.757 5.279 4.527 -0.008 0.000 0.330 265 F C 0.208 176.134 175.800 0.210 0.000 1.082 265 F CA -0.604 57.526 58.000 0.217 0.000 0.995 265 F CB 1.883 41.012 39.000 0.215 0.000 1.170 265 F HN 0.478 nan 8.300 nan 0.000 0.478 266 K N 1.838 122.367 120.400 0.215 0.000 2.565 266 K HA 0.307 4.623 4.320 -0.007 0.000 0.251 266 K C -0.726 175.993 176.600 0.199 0.000 0.956 266 K CA -0.448 55.951 56.287 0.188 0.000 0.809 266 K CB 0.318 32.929 32.500 0.185 0.000 1.267 266 K HN 0.586 nan 8.250 nan 0.000 0.438 267 H N 3.349 122.534 119.070 0.191 0.000 2.692 267 H HA -0.137 4.415 4.556 -0.007 0.000 0.316 267 H C -0.201 175.231 175.328 0.175 0.000 1.176 267 H CA 1.226 57.373 56.048 0.165 0.000 1.142 267 H CB -1.321 28.516 29.762 0.124 0.000 1.475 267 H HN 0.707 nan 8.280 nan 0.000 0.423 268 V N -1.680 118.435 119.914 0.334 0.000 4.349 268 V HA -0.310 3.805 4.120 -0.007 0.000 0.247 268 V C 0.675 176.975 176.094 0.344 0.000 0.442 268 V CA 1.608 64.165 62.300 0.427 0.000 0.865 268 V CB -1.891 30.116 31.823 0.308 0.000 0.887 268 V HN 0.596 nan 8.190 nan 0.000 1.302 269 S N 0.049 115.716 115.700 -0.055 0.000 2.556 269 S HA 0.704 5.169 4.470 -0.007 0.000 0.271 269 S C -2.847 171.083 174.600 -1.116 0.000 1.135 269 S CA -0.892 57.071 58.200 -0.396 0.000 0.858 269 S CB 3.349 66.495 63.200 -0.091 0.000 1.114 269 S HN 0.271 nan 8.310 nan 0.000 0.468 270 P HA 0.333 nan 4.420 nan 0.000 0.286 270 P C -0.279 176.868 177.300 -0.255 0.000 1.269 270 P CA -0.307 62.325 63.100 -0.780 0.000 0.787 270 P CB 1.244 32.760 31.700 -0.307 0.000 0.920 271 A N 3.132 125.886 122.820 -0.110 0.000 2.081 271 A HA 0.458 4.773 4.320 -0.007 0.000 0.214 271 A C 1.031 178.632 177.584 0.030 0.000 1.158 271 A CA 1.088 53.128 52.037 0.006 0.000 0.724 271 A CB -0.485 18.558 19.000 0.072 0.000 0.826 271 A HN 0.679 nan 8.150 nan 0.000 0.463 272 G N -2.600 106.223 108.800 0.037 0.000 2.579 272 G HA2 0.670 4.626 3.960 -0.007 0.000 0.292 272 G HA3 0.670 4.626 3.960 -0.007 0.000 0.292 272 G C -1.277 173.676 174.900 0.089 0.000 1.484 272 G CA 0.180 45.309 45.100 0.048 0.000 0.813 272 G HN 1.250 nan 8.290 nan 0.000 0.515 273 A N -0.805 122.060 122.820 0.074 0.000 2.577 273 A HA 1.109 5.424 4.320 -0.007 0.000 0.297 273 A C -0.417 177.206 177.584 0.066 0.000 1.060 273 A CA 0.352 52.452 52.037 0.105 0.000 0.697 273 A CB 1.280 20.360 19.000 0.134 0.000 1.281 273 A HN 2.648 nan 8.150 nan 0.000 0.402 274 A N 0.153 123.018 122.820 0.074 0.000 2.586 274 A HA 0.857 5.173 4.320 -0.007 0.000 0.290 274 A C -0.650 176.967 177.584 0.055 0.000 1.086 274 A CA 0.049 52.118 52.037 0.055 0.000 0.665 274 A CB 0.494 19.529 19.000 0.057 0.000 1.279 274 A HN 2.292 nan 8.150 nan 0.000 0.423 275 V N -1.524 118.415 119.914 0.043 0.000 2.850 275 V HA 0.828 4.944 4.120 -0.007 0.000 0.315 275 V C 0.863 176.986 176.094 0.049 0.000 1.064 275 V CA -0.119 62.203 62.300 0.037 0.000 0.979 275 V CB 1.418 33.253 31.823 0.020 0.000 1.039 275 V HN 1.794 nan 8.190 nan 0.000 0.452 276 G N 2.995 111.822 108.800 0.046 0.000 3.090 276 G HA2 0.255 4.211 3.960 -0.007 0.000 0.259 276 G HA3 0.255 4.211 3.960 -0.007 0.000 0.259 276 G C 0.168 175.097 174.900 0.049 0.000 0.797 276 G CA -0.221 44.910 45.100 0.051 0.000 2.032 276 G HN 0.488 nan 8.290 nan 0.000 0.614 277 I N 1.401 122.006 120.570 0.059 0.000 2.471 277 I HA 0.159 4.325 4.170 -0.007 0.000 0.286 277 I C -1.827 174.337 176.117 0.078 0.000 1.079 277 I CA -2.982 58.356 61.300 0.062 0.000 1.398 277 I CB 0.896 38.937 38.000 0.070 0.000 1.403 277 I HN 0.089 nan 8.210 nan 0.000 0.530 278 P HA 0.028 nan 4.420 nan 0.000 0.263 278 P C -0.456 176.917 177.300 0.122 0.000 1.175 278 P CA 0.167 63.309 63.100 0.070 0.000 0.761 278 P CB 0.402 32.135 31.700 0.056 0.000 0.794 279 L N 2.233 123.541 121.223 0.142 0.000 2.326 279 L HA 0.264 4.600 4.340 -0.007 0.000 0.278 279 L C 1.168 178.242 176.870 0.339 0.000 1.092 279 L CA -0.401 54.581 54.840 0.238 0.000 0.810 279 L CB 0.859 43.077 42.059 0.265 0.000 1.153 279 L HN 0.445 nan 8.230 nan 0.000 0.439 280 S N 1.208 117.088 115.700 0.299 0.000 2.624 280 S HA 0.153 4.618 4.470 -0.007 0.000 0.263 280 S C 0.831 175.587 174.600 0.261 0.000 1.287 280 S CA -0.622 57.745 58.200 0.278 0.000 0.990 280 S CB 1.083 64.398 63.200 0.192 0.000 0.950 280 S HN 0.691 nan 8.310 nan 0.000 0.561 281 E N 0.627 120.862 120.200 0.057 0.000 2.085 281 E HA -0.180 4.166 4.350 -0.007 0.000 0.194 281 E C 1.304 177.815 176.600 -0.148 0.000 0.994 281 E CA 1.640 57.913 56.400 -0.212 0.000 0.801 281 E CB -0.200 29.344 29.700 -0.260 0.000 0.743 281 E HN 0.660 nan 8.360 nan 0.000 0.453 282 D N 0.539 120.891 120.400 -0.080 0.000 2.183 282 D HA -0.118 4.517 4.640 -0.007 0.000 0.203 282 D C 1.727 178.011 176.300 -0.027 0.000 0.969 282 D CA 0.783 54.728 54.000 -0.092 0.000 0.842 282 D CB -0.066 40.714 40.800 -0.034 0.000 0.957 282 D HN 0.278 nan 8.370 nan 0.000 0.484 283 E N 0.972 121.230 120.200 0.098 0.000 2.077 283 E HA -0.122 4.224 4.350 -0.007 0.000 0.193 283 E C 2.145 178.822 176.600 0.128 0.000 0.989 283 E CA 0.877 57.366 56.400 0.148 0.000 0.800 283 E CB -0.022 29.840 29.700 0.270 0.000 0.746 283 E HN 0.154 nan 8.360 nan 0.000 0.452 284 A N 1.515 124.456 122.820 0.200 0.000 1.972 284 A HA -0.212 4.104 4.320 -0.007 0.000 0.219 284 A C 1.906 179.592 177.584 0.170 0.000 1.169 284 A CA 1.327 53.520 52.037 0.261 0.000 0.635 284 A CB -0.235 19.064 19.000 0.497 0.000 0.810 284 A HN 0.056 nan 8.150 nan 0.000 0.446 285 K N -0.552 119.872 120.400 0.040 0.000 2.057 285 K HA -0.032 4.283 4.320 -0.007 0.000 0.206 285 K C 1.811 178.377 176.600 -0.057 0.000 1.050 285 K CA 1.296 57.555 56.287 -0.047 0.000 0.935 285 K CB -0.299 32.070 32.500 -0.219 0.000 0.715 285 K HN 0.292 nan 8.250 nan 0.000 0.439 286 V N 0.941 120.783 119.914 -0.120 0.000 2.407 286 V HA -0.260 3.855 4.120 -0.007 0.000 0.248 286 V C 2.034 178.098 176.094 -0.050 0.000 1.055 286 V CA 1.390 63.577 62.300 -0.188 0.000 1.049 286 V CB -0.371 31.159 31.823 -0.490 0.000 0.662 286 V HN 0.418 nan 8.190 nan 0.000 0.455 287 C N -0.642 118.674 119.300 0.028 0.000 2.576 287 C HA 0.268 4.724 4.460 -0.007 0.000 0.267 287 C C 1.481 176.507 174.990 0.061 0.000 1.364 287 C CA -0.222 58.839 59.018 0.073 0.000 1.723 287 C CB -1.432 26.374 27.740 0.110 0.000 1.778 287 C HN 0.676 nan 8.230 nan 0.000 0.572 288 M N -0.634 118.998 119.600 0.054 0.000 2.427 288 M HA -0.157 4.319 4.480 -0.007 0.000 0.204 288 M C 0.424 176.772 176.300 0.080 0.000 0.413 288 M CA 0.633 55.965 55.300 0.053 0.000 0.507 288 M CB -1.684 30.929 32.600 0.021 0.000 1.823 288 M HN 0.412 nan 8.290 nan 0.000 0.859 289 V N -4.126 115.863 119.914 0.126 0.000 3.111 289 V HA 0.116 4.232 4.120 -0.007 0.000 0.343 289 V C 0.938 177.143 176.094 0.185 0.000 1.417 289 V CA -0.031 62.347 62.300 0.130 0.000 1.142 289 V CB -0.336 31.560 31.823 0.121 0.000 1.114 289 V HN 0.485 nan 8.190 nan 0.000 0.520 290 Y N 3.535 123.885 120.300 0.084 0.000 2.333 290 Y HA -0.131 4.413 4.550 -0.009 0.000 0.290 290 Y C 2.186 178.143 175.900 0.096 0.000 1.144 290 Y CA 2.144 60.300 58.100 0.092 0.000 1.228 290 Y CB 0.062 38.521 38.460 -0.002 0.000 0.985 290 Y HN 0.621 nan 8.280 nan 0.000 0.542 291 D N -0.468 119.932 120.400 -0.000 0.000 2.350 291 D HA -0.161 4.474 4.640 -0.007 0.000 0.216 291 D C 1.214 177.469 176.300 -0.075 0.000 0.968 291 D CA 1.014 54.971 54.000 -0.072 0.000 0.894 291 D CB -0.358 40.445 40.800 0.004 0.000 0.909 291 D HN 0.486 nan 8.370 nan 0.000 0.520 292 L N -0.805 120.401 121.223 -0.027 0.000 2.906 292 L HA 0.143 4.479 4.340 -0.007 0.000 0.255 292 L C 1.536 178.406 176.870 -0.001 0.000 1.166 292 L CA -0.586 54.248 54.840 -0.010 0.000 0.977 292 L CB -0.128 41.941 42.059 0.016 0.000 1.313 292 L HN -0.184 nan 8.230 nan 0.000 0.549 293 Y N 2.592 122.792 120.300 -0.168 0.000 2.029 293 Y HA -0.475 4.070 4.550 -0.008 0.000 0.269 293 Y C 2.631 178.490 175.900 -0.068 0.000 1.201 293 Y CA 2.833 60.856 58.100 -0.128 0.000 1.115 293 Y CB -0.193 38.103 38.460 -0.274 0.000 0.945 293 Y HN 0.224 nan 8.280 nan 0.000 0.497 294 K N -0.614 119.756 120.400 -0.049 0.000 2.442 294 K HA -0.042 4.273 4.320 -0.007 0.000 0.198 294 K C 1.770 178.313 176.600 -0.096 0.000 1.042 294 K CA 1.635 57.870 56.287 -0.087 0.000 0.958 294 K CB -1.607 30.887 32.500 -0.011 0.000 0.766 294 K HN 0.684 nan 8.250 nan 0.000 0.474 295 T N -1.931 112.574 114.554 -0.082 0.000 3.060 295 T HA 0.291 4.636 4.350 -0.007 0.000 0.249 295 T C 0.835 175.498 174.700 -0.063 0.000 1.079 295 T CA -0.463 61.603 62.100 -0.056 0.000 1.013 295 T CB -0.541 68.309 68.868 -0.030 0.000 0.975 295 T HN 0.311 nan 8.240 nan 0.000 0.518 296 L N 3.298 124.458 121.223 -0.104 0.000 2.529 296 L HA 0.306 4.642 4.340 -0.007 0.000 0.287 296 L C 0.963 177.791 176.870 -0.069 0.000 1.241 296 L CA 0.102 54.891 54.840 -0.086 0.000 0.857 296 L CB 0.180 42.153 42.059 -0.143 0.000 1.113 296 L HN 0.443 nan 8.230 nan 0.000 0.504 297 T N -1.240 113.298 114.554 -0.027 0.000 2.887 297 T HA 0.412 4.757 4.350 -0.007 0.000 0.292 297 T C -2.235 172.467 174.700 0.004 0.000 1.087 297 T CA -1.758 60.333 62.100 -0.015 0.000 1.009 297 T CB 1.938 70.804 68.868 -0.004 0.000 1.203 297 T HN 0.188 nan 8.240 nan 0.000 0.518 298 P HA -0.076 nan 4.420 nan 0.000 0.214 298 P C 1.525 178.849 177.300 0.039 0.000 1.163 298 P CA 0.564 63.676 63.100 0.021 0.000 0.889 298 P CB -0.041 31.668 31.700 0.014 0.000 0.790 299 I N -0.462 120.130 120.570 0.037 0.000 2.439 299 I HA -0.177 3.988 4.170 -0.007 0.000 0.251 299 I C 1.955 178.127 176.117 0.092 0.000 1.139 299 I CA 1.610 62.943 61.300 0.055 0.000 1.438 299 I CB -0.870 37.149 38.000 0.032 0.000 1.085 299 I HN -0.079 nan 8.210 nan 0.000 0.427 300 S N 0.532 116.280 115.700 0.080 0.000 2.406 300 S HA 0.015 4.480 4.470 -0.007 0.000 0.228 300 S C 2.202 176.879 174.600 0.127 0.000 1.020 300 S CA 0.625 58.894 58.200 0.115 0.000 0.965 300 S CB -0.889 62.357 63.200 0.076 0.000 0.798 300 S HN 0.438 nan 8.310 nan 0.000 0.488 301 A N 2.030 124.902 122.820 0.088 0.000 1.930 301 A HA 0.402 4.718 4.320 -0.007 0.000 0.217 301 A C 2.502 180.148 177.584 0.103 0.000 1.175 301 A CA 1.458 53.547 52.037 0.087 0.000 0.627 301 A CB -1.370 17.668 19.000 0.063 0.000 0.815 301 A HN 0.792 nan 8.150 nan 0.000 0.443 302 A N -1.420 121.465 122.820 0.108 0.000 1.902 302 A HA -0.123 4.193 4.320 -0.007 0.000 0.217 302 A C 2.153 179.825 177.584 0.146 0.000 1.181 302 A CA 1.687 53.792 52.037 0.113 0.000 0.623 302 A CB -0.793 18.269 19.000 0.104 0.000 0.818 302 A HN 0.698 nan 8.150 nan 0.000 0.443 303 Y N 0.602 120.946 120.300 0.073 0.000 2.293 303 Y HA 0.045 4.590 4.550 -0.009 0.000 0.291 303 Y C 2.552 178.510 175.900 0.098 0.000 1.137 303 Y CA 0.665 58.816 58.100 0.084 0.000 1.202 303 Y CB -0.507 37.997 38.460 0.074 0.000 0.990 303 Y HN 0.302 nan 8.280 nan 0.000 0.537 304 A N 0.489 123.289 122.820 -0.034 0.000 1.933 304 A HA -0.161 4.155 4.320 -0.007 0.000 0.218 304 A C 2.330 179.886 177.584 -0.046 0.000 1.175 304 A CA 1.662 53.658 52.037 -0.067 0.000 0.628 304 A CB -0.499 18.541 19.000 0.065 0.000 0.814 304 A HN 0.500 nan 8.150 nan 0.000 0.444 305 R N -0.591 119.925 120.500 0.027 0.000 2.090 305 R HA 0.009 4.344 4.340 -0.007 0.000 0.228 305 R C 2.503 178.821 176.300 0.029 0.000 1.110 305 R CA 1.043 57.194 56.100 0.085 0.000 0.973 305 R CB -0.420 29.948 30.300 0.112 0.000 0.869 305 R HN 0.502 nan 8.270 nan 0.000 0.440 306 A N 1.271 124.071 122.820 -0.034 0.000 1.858 306 A HA -0.188 4.128 4.320 -0.007 0.000 0.216 306 A C 2.120 179.654 177.584 -0.084 0.000 1.190 306 A CA 1.372 53.393 52.037 -0.026 0.000 0.617 306 A CB -0.444 18.584 19.000 0.046 0.000 0.827 306 A HN 0.201 nan 8.150 nan 0.000 0.443 307 R N -0.649 119.665 120.500 -0.310 0.000 2.189 307 R HA -0.038 4.297 4.340 -0.007 0.000 0.218 307 R C 1.910 178.183 176.300 -0.046 0.000 1.074 307 R CA 0.979 56.939 56.100 -0.233 0.000 0.991 307 R CB -0.381 29.619 30.300 -0.499 0.000 0.883 307 R HN 0.477 nan 8.270 nan 0.000 0.457 308 G N -0.582 108.218 108.800 -0.001 0.000 2.813 308 G HA2 -0.068 3.888 3.960 -0.007 0.000 0.209 308 G HA3 -0.068 3.888 3.960 -0.007 0.000 0.209 308 G C 1.307 176.363 174.900 0.260 0.000 1.150 308 G CA 0.445 45.624 45.100 0.130 0.000 0.785 308 G HN 0.373 nan 8.290 nan 0.000 0.535 309 A N 0.021 122.953 122.820 0.188 0.000 1.877 309 A HA 0.023 4.338 4.320 -0.007 0.000 0.216 309 A C 1.177 178.911 177.584 0.250 0.000 1.186 309 A CA 1.557 53.702 52.037 0.180 0.000 0.620 309 A CB 0.025 19.049 19.000 0.040 0.000 0.822 309 A HN 0.284 nan 8.150 nan 0.000 0.443 310 D N -2.097 118.413 120.400 0.184 0.000 2.323 310 D HA 0.243 4.879 4.640 -0.007 0.000 0.242 310 D C 0.618 177.012 176.300 0.156 0.000 1.347 310 D CA -0.397 53.712 54.000 0.182 0.000 0.988 310 D CB 0.493 41.386 40.800 0.155 0.000 1.314 310 D HN 0.220 nan 8.370 nan 0.000 0.564 311 R N 1.890 122.482 120.500 0.155 0.000 2.127 311 R HA -0.068 4.267 4.340 -0.007 0.000 0.238 311 R C 1.966 178.366 176.300 0.168 0.000 1.134 311 R CA 1.176 57.363 56.100 0.145 0.000 0.975 311 R CB 0.152 30.527 30.300 0.125 0.000 0.865 311 R HN 0.456 nan 8.270 nan 0.000 0.447 312 M N -0.073 119.611 119.600 0.140 0.000 2.254 312 M HA -0.078 4.398 4.480 -0.007 0.000 0.265 312 M C 1.971 178.370 176.300 0.166 0.000 1.066 312 M CA 1.410 56.785 55.300 0.124 0.000 1.123 312 M CB 0.088 32.727 32.600 0.063 0.000 1.388 312 M HN 0.029 nan 8.290 nan 0.000 0.425 313 S N -0.328 115.468 115.700 0.161 0.000 2.461 313 S HA -0.003 4.463 4.470 -0.007 0.000 0.228 313 S C 1.853 176.575 174.600 0.203 0.000 1.005 313 S CA 0.766 59.069 58.200 0.171 0.000 0.942 313 S CB -0.028 63.254 63.200 0.136 0.000 0.776 313 S HN 0.349 nan 8.310 nan 0.000 0.514 314 S N 1.023 116.844 115.700 0.202 0.000 2.562 314 S HA 0.218 4.683 4.470 -0.007 0.000 0.221 314 S C 0.309 175.046 174.600 0.228 0.000 0.975 314 S CA -0.268 58.052 58.200 0.199 0.000 0.918 314 S CB -0.243 63.049 63.200 0.153 0.000 0.772 314 S HN 0.546 nan 8.310 nan 0.000 0.531 315 F N 2.907 122.923 119.950 0.109 0.000 2.538 315 F HA 0.395 4.917 4.527 -0.009 0.000 0.382 315 F C 1.213 177.082 175.800 0.114 0.000 1.069 315 F CA 0.473 58.533 58.000 0.100 0.000 1.138 315 F CB -0.343 38.708 39.000 0.085 0.000 1.068 315 F HN 0.235 nan 8.300 nan 0.000 0.556 316 G N 3.987 112.652 108.800 -0.225 0.000 2.149 316 G HA2 -0.261 3.695 3.960 -0.007 0.000 0.235 316 G HA3 -0.261 3.695 3.960 -0.007 0.000 0.235 316 G C -0.297 174.654 174.900 0.085 0.000 1.018 316 G CA 0.010 45.056 45.100 -0.089 0.000 0.728 316 G HN 0.995 nan 8.290 nan 0.000 0.508 317 D N -0.696 119.776 120.400 0.120 0.000 2.358 317 D HA 0.515 5.151 4.640 -0.007 0.000 0.244 317 D C -0.179 176.241 176.300 0.200 0.000 1.163 317 D CA -0.851 53.274 54.000 0.208 0.000 0.945 317 D CB 0.867 41.815 40.800 0.246 0.000 1.152 317 D HN 0.104 nan 8.370 nan 0.000 0.451 318 F N 0.603 120.670 119.950 0.195 0.000 2.426 318 F HA 0.331 4.854 4.527 -0.006 0.000 0.348 318 F C -0.623 175.290 175.800 0.188 0.000 1.124 318 F CA -0.852 57.234 58.000 0.144 0.000 1.008 318 F CB 1.352 40.413 39.000 0.102 0.000 1.139 318 F HN 0.110 nan 8.300 nan 0.000 0.452 319 V N 5.181 125.071 119.914 -0.040 0.000 2.567 319 V HA 0.760 4.875 4.120 -0.007 0.000 0.289 319 V C 0.045 176.234 176.094 0.158 0.000 1.049 319 V CA -0.560 61.792 62.300 0.086 0.000 0.969 319 V CB 0.993 32.707 31.823 -0.181 0.000 0.995 319 V HN 0.903 nan 8.190 nan 0.000 0.471 320 A N 5.610 128.550 122.820 0.201 0.000 2.393 320 A HA 0.909 5.225 4.320 -0.007 0.000 0.306 320 A C -1.077 176.595 177.584 0.146 0.000 1.050 320 A CA -0.578 51.578 52.037 0.198 0.000 0.724 320 A CB 1.191 20.294 19.000 0.172 0.000 1.248 320 A HN 0.763 nan 8.150 nan 0.000 0.424 321 L N 1.929 123.235 121.223 0.137 0.000 2.381 321 L HA 0.443 4.779 4.340 -0.007 0.000 0.268 321 L C 1.306 178.230 176.870 0.090 0.000 0.997 321 L CA -0.530 54.357 54.840 0.078 0.000 0.818 321 L CB 2.356 44.422 42.059 0.012 0.000 1.310 321 L HN 0.893 nan 8.230 nan 0.000 0.416 322 S N -1.050 114.651 115.700 0.000 0.000 2.496 322 S HA 0.092 4.557 4.470 -0.007 0.000 0.224 322 S C 0.166 174.774 174.600 0.013 0.000 0.996 322 S CA 0.169 58.328 58.200 -0.068 0.000 0.927 322 S CB -0.118 63.011 63.200 -0.118 0.000 0.774 322 S HN 0.717 nan 8.310 nan 0.000 0.524 323 D N 0.130 120.537 120.400 0.013 0.000 2.493 323 D HA 0.523 5.159 4.640 -0.007 0.000 0.239 323 D C -0.985 175.284 176.300 -0.050 0.000 1.049 323 D CA -0.688 53.311 54.000 -0.003 0.000 1.008 323 D CB 1.714 42.510 40.800 -0.007 0.000 1.398 323 D HN -0.057 nan 8.370 nan 0.000 0.513 324 V N 1.036 120.909 119.914 -0.069 0.000 2.644 324 V HA -0.101 4.014 4.120 -0.007 0.000 0.305 324 V C 0.569 176.580 176.094 -0.138 0.000 1.053 324 V CA -0.212 62.007 62.300 -0.136 0.000 1.186 324 V CB 0.428 32.204 31.823 -0.079 0.000 0.895 324 V HN 0.717 nan 8.190 nan 0.000 0.490 325 C N 7.223 126.377 119.300 -0.243 0.000 2.629 325 C HA 0.349 4.805 4.460 -0.007 0.000 0.410 325 C C 0.438 175.418 174.990 -0.016 0.000 1.339 325 C CA -0.665 58.284 59.018 -0.115 0.000 1.810 325 C CB -1.099 26.596 27.740 -0.076 0.000 2.549 325 C HN 1.055 nan 8.230 nan 0.000 0.589 326 D N 3.973 124.374 120.400 0.002 0.000 2.487 326 D HA 0.254 4.890 4.640 -0.007 0.000 0.262 326 D C 0.931 177.247 176.300 0.026 0.000 1.130 326 D CA -0.741 53.268 54.000 0.015 0.000 1.038 326 D CB 0.555 41.359 40.800 0.007 0.000 1.142 326 D HN 0.252 nan 8.370 nan 0.000 0.575 327 V N 0.054 119.980 119.914 0.020 0.000 2.343 327 V HA -0.122 3.994 4.120 -0.007 0.000 0.247 327 V C -0.886 175.217 176.094 0.016 0.000 1.051 327 V CA 1.895 64.205 62.300 0.017 0.000 1.036 327 V CB -1.583 30.246 31.823 0.009 0.000 0.654 327 V HN 0.557 nan 8.190 nan 0.000 0.451 328 P HA -0.117 nan 4.420 nan 0.000 0.215 328 P C 1.819 179.145 177.300 0.043 0.000 1.153 328 P CA 1.754 64.868 63.100 0.023 0.000 0.853 328 P CB -0.201 31.510 31.700 0.018 0.000 0.788 329 T N -0.523 114.058 114.554 0.045 0.000 2.708 329 T HA -0.137 4.209 4.350 -0.007 0.000 0.266 329 T C 1.932 176.644 174.700 0.020 0.000 1.037 329 T CA 1.651 63.785 62.100 0.056 0.000 1.146 329 T CB -1.059 67.825 68.868 0.026 0.000 0.865 329 T HN 0.039 nan 8.240 nan 0.000 0.435 330 A N 1.647 124.473 122.820 0.011 0.000 1.933 330 A HA -0.130 4.185 4.320 -0.007 0.000 0.218 330 A C 2.276 179.847 177.584 -0.022 0.000 1.175 330 A CA 1.584 53.617 52.037 -0.007 0.000 0.628 330 A CB -0.453 18.555 19.000 0.013 0.000 0.814 330 A HN 0.441 nan 8.150 nan 0.000 0.444 331 K N -0.546 119.853 120.400 -0.001 0.000 2.097 331 K HA 0.012 4.328 4.320 -0.007 0.000 0.205 331 K C 1.780 178.386 176.600 0.010 0.000 1.050 331 K CA 1.286 57.570 56.287 -0.005 0.000 0.938 331 K CB -0.291 32.210 32.500 0.002 0.000 0.718 331 K HN 0.543 nan 8.250 nan 0.000 0.442 332 I N 0.924 121.525 120.570 0.051 0.000 2.226 332 I HA -0.291 3.874 4.170 -0.007 0.000 0.245 332 I C 2.186 178.363 176.117 0.099 0.000 1.100 332 I CA 1.348 62.708 61.300 0.101 0.000 1.374 332 I CB -0.256 37.863 38.000 0.198 0.000 1.057 332 I HN 0.134 nan 8.210 nan 0.000 0.413 333 I N -0.154 120.450 120.570 0.056 0.000 2.252 333 I HA -0.276 3.889 4.170 -0.007 0.000 0.245 333 I C 2.790 178.836 176.117 -0.119 0.000 1.102 333 I CA 1.099 62.387 61.300 -0.019 0.000 1.385 333 I CB -0.347 37.571 38.000 -0.137 0.000 1.064 333 I HN 0.197 nan 8.210 nan 0.000 0.414 334 S N 1.602 117.225 115.700 -0.128 0.000 2.380 334 S HA -0.249 4.217 4.470 -0.007 0.000 0.229 334 S C 2.022 176.547 174.600 -0.125 0.000 1.043 334 S CA 1.826 59.930 58.200 -0.160 0.000 1.038 334 S CB -0.271 62.864 63.200 -0.108 0.000 0.872 334 S HN 0.521 nan 8.310 nan 0.000 0.456 335 R N -0.062 120.396 120.500 -0.070 0.000 2.356 335 R HA 0.262 4.598 4.340 -0.007 0.000 0.234 335 R C -0.264 176.010 176.300 -0.044 0.000 0.929 335 R CA -0.027 56.041 56.100 -0.053 0.000 1.084 335 R CB 0.035 30.318 30.300 -0.030 0.000 1.105 335 R HN 0.288 nan 8.270 nan 0.000 0.515 336 E N 0.896 121.063 120.200 -0.054 0.000 2.299 336 E HA 0.289 4.635 4.350 -0.007 0.000 0.260 336 E C -0.807 175.723 176.600 -0.116 0.000 0.944 336 E CA -1.207 55.167 56.400 -0.043 0.000 0.815 336 E CB 2.429 32.142 29.700 0.022 0.000 1.252 336 E HN -0.136 nan 8.360 nan 0.000 0.418 337 V N 1.432 121.235 119.914 -0.184 0.000 2.408 337 V HA 0.306 4.422 4.120 -0.007 0.000 0.267 337 V C 0.225 176.158 176.094 -0.268 0.000 1.047 337 V CA 0.086 62.182 62.300 -0.340 0.000 0.937 337 V CB 0.936 32.287 31.823 -0.787 0.000 0.999 337 V HN 0.546 nan 8.190 nan 0.000 0.472 338 S N 2.708 118.325 115.700 -0.139 0.000 2.546 338 S HA 0.423 4.889 4.470 -0.007 0.000 0.274 338 S C 0.219 174.897 174.600 0.129 0.000 1.121 338 S CA -0.627 57.577 58.200 0.007 0.000 0.887 338 S CB 2.046 65.286 63.200 0.067 0.000 1.094 338 S HN 0.718 nan 8.310 nan 0.000 0.474 339 D N 1.806 122.249 120.400 0.072 0.000 2.249 339 D HA 0.352 4.987 4.640 -0.007 0.000 0.205 339 D C 0.880 177.045 176.300 -0.225 0.000 0.962 339 D CA 1.597 55.622 54.000 0.042 0.000 0.860 339 D CB 0.429 41.317 40.800 0.147 0.000 0.955 339 D HN 0.834 nan 8.370 nan 0.000 0.505 340 G N -0.606 107.809 108.800 -0.641 0.000 2.324 340 G HA2 0.354 4.309 3.960 -0.007 0.000 0.293 340 G HA3 0.354 4.309 3.960 -0.007 0.000 0.293 340 G C -1.898 172.047 174.900 -1.591 0.000 1.297 340 G CA -0.661 43.594 45.100 -1.409 0.000 0.853 340 G HN 0.100 nan 8.290 nan 0.000 0.535 341 I N -0.435 119.436 120.570 -1.165 0.000 2.827 341 I HA 0.819 4.985 4.170 -0.007 0.000 0.298 341 I C -1.607 174.508 176.117 -0.003 0.000 1.235 341 I CA -1.324 59.673 61.300 -0.505 0.000 1.021 341 I CB 2.137 40.067 38.000 -0.117 0.000 1.259 341 I HN 0.770 nan 8.210 nan 0.000 0.427 342 I N 6.634 127.333 120.570 0.215 0.000 2.545 342 I HA 0.891 5.057 4.170 -0.007 0.000 0.292 342 I C -1.116 175.099 176.117 0.163 0.000 1.040 342 I CA -0.150 61.284 61.300 0.224 0.000 1.068 342 I CB 1.679 39.810 38.000 0.219 0.000 1.251 342 I HN 0.785 nan 8.210 nan 0.000 0.424 343 A N 7.324 130.166 122.820 0.037 0.000 2.599 343 A HA 0.692 5.007 4.320 -0.007 0.000 0.290 343 A C -2.686 174.793 177.584 -0.175 0.000 1.101 343 A CA -0.847 51.151 52.037 -0.065 0.000 0.674 343 A CB 1.257 20.013 19.000 -0.407 0.000 1.277 343 A HN 0.483 nan 8.150 nan 0.000 0.419 344 P HA 0.202 nan 4.420 nan 0.000 0.231 344 P C 0.729 177.950 177.300 -0.132 0.000 1.168 344 P CA 1.603 64.661 63.100 -0.070 0.000 0.779 344 P CB 0.511 32.276 31.700 0.108 0.000 0.844 345 G N -1.471 107.154 108.800 -0.291 0.000 2.441 345 G HA2 0.484 4.440 3.960 -0.007 0.000 0.294 345 G HA3 0.484 4.440 3.960 -0.007 0.000 0.294 345 G C -2.363 172.198 174.900 -0.565 0.000 1.393 345 G CA -0.604 44.351 45.100 -0.241 0.000 0.796 345 G HN -0.096 nan 8.290 nan 0.000 0.494 346 Y N -0.027 120.268 120.300 -0.008 0.000 2.433 346 Y HA 0.478 5.023 4.550 -0.008 0.000 0.337 346 Y C 0.255 176.150 175.900 -0.007 0.000 1.026 346 Y CA -0.852 57.243 58.100 -0.008 0.000 1.037 346 Y CB 2.196 40.647 38.460 -0.014 0.000 1.245 346 Y HN 0.581 nan 8.280 nan 0.000 0.443 347 E N 1.777 122.043 120.200 0.111 0.000 2.392 347 E HA -0.035 4.311 4.350 -0.007 0.000 0.264 347 E C 0.807 177.459 176.600 0.086 0.000 1.024 347 E CA 0.042 56.484 56.400 0.070 0.000 0.903 347 E CB 0.889 30.615 29.700 0.043 0.000 0.963 347 E HN 0.830 nan 8.360 nan 0.000 0.432 348 E N 2.824 123.057 120.200 0.055 0.000 2.097 348 E HA -0.307 4.039 4.350 -0.007 0.000 0.196 348 E C 1.638 178.254 176.600 0.026 0.000 1.000 348 E CA 1.635 58.058 56.400 0.038 0.000 0.804 348 E CB 0.156 29.869 29.700 0.021 0.000 0.740 348 E HN 0.597 nan 8.360 nan 0.000 0.454 349 E N -0.569 119.645 120.200 0.024 0.000 2.107 349 E HA -0.160 4.186 4.350 -0.007 0.000 0.191 349 E C 1.885 178.496 176.600 0.018 0.000 0.982 349 E CA 0.805 57.212 56.400 0.013 0.000 0.809 349 E CB -0.106 29.600 29.700 0.009 0.000 0.756 349 E HN 0.357 nan 8.360 nan 0.000 0.459 350 A N 0.970 123.816 122.820 0.043 0.000 1.930 350 A HA -0.150 4.166 4.320 -0.007 0.000 0.217 350 A C 2.090 179.704 177.584 0.051 0.000 1.175 350 A CA 1.082 53.157 52.037 0.062 0.000 0.627 350 A CB -0.530 18.538 19.000 0.113 0.000 0.815 350 A HN 0.375 nan 8.150 nan 0.000 0.443 351 L N -0.734 120.514 121.223 0.042 0.000 2.056 351 L HA -0.074 4.261 4.340 -0.007 0.000 0.207 351 L C 2.482 179.313 176.870 -0.064 0.000 1.078 351 L CA 2.753 57.558 54.840 -0.058 0.000 0.749 351 L CB -1.009 41.012 42.059 -0.063 0.000 0.901 351 L HN 0.348 nan 8.230 nan 0.000 0.433 352 T N -1.127 113.406 114.554 -0.034 0.000 2.951 352 T HA -0.075 4.271 4.350 -0.007 0.000 0.268 352 T C 1.943 176.619 174.700 -0.040 0.000 1.073 352 T CA 1.400 63.479 62.100 -0.036 0.000 1.134 352 T CB -0.251 68.602 68.868 -0.024 0.000 0.884 352 T HN 0.354 nan 8.240 nan 0.000 0.479 353 I N 0.481 121.029 120.570 -0.037 0.000 2.163 353 I HA -0.106 4.060 4.170 -0.007 0.000 0.240 353 I C 2.281 178.350 176.117 -0.080 0.000 1.081 353 I CA 1.164 62.434 61.300 -0.050 0.000 1.353 353 I CB -0.278 37.699 38.000 -0.038 0.000 1.054 353 I HN 0.253 nan 8.210 nan 0.000 0.407 354 L N -0.081 121.098 121.223 -0.073 0.000 2.046 354 L HA -0.184 4.152 4.340 -0.007 0.000 0.208 354 L C 2.606 179.457 176.870 -0.030 0.000 1.077 354 L CA 1.147 55.934 54.840 -0.088 0.000 0.747 354 L CB -0.617 41.444 42.059 0.003 0.000 0.896 354 L HN 0.160 nan 8.230 nan 0.000 0.432 355 S N -0.472 115.211 115.700 -0.027 0.000 2.442 355 S HA -0.166 4.299 4.470 -0.007 0.000 0.236 355 S C 1.903 176.496 174.600 -0.011 0.000 1.007 355 S CA 1.112 59.306 58.200 -0.009 0.000 0.965 355 S CB -0.122 63.051 63.200 -0.046 0.000 0.773 355 S HN 0.224 nan 8.310 nan 0.000 0.504 356 K N 1.534 121.908 120.400 -0.043 0.000 2.296 356 K HA 0.155 4.470 4.320 -0.007 0.000 0.200 356 K C 0.501 177.064 176.600 -0.061 0.000 1.048 356 K CA 0.479 56.738 56.287 -0.047 0.000 0.966 356 K CB 0.049 32.516 32.500 -0.055 0.000 0.754 356 K HN 0.274 nan 8.250 nan 0.000 0.466 357 K N 1.252 121.584 120.400 -0.113 0.000 2.440 357 K HA -0.028 4.287 4.320 -0.007 0.000 0.270 357 K C -0.290 176.287 176.600 -0.038 0.000 0.980 357 K CA 0.462 56.651 56.287 -0.164 0.000 0.953 357 K CB 0.270 32.481 32.500 -0.482 0.000 0.925 357 K HN 0.012 nan 8.250 nan 0.000 0.497 358 K N 2.130 122.509 120.400 -0.036 0.000 3.148 358 K HA -0.298 4.017 4.320 -0.007 0.000 0.267 358 K C -0.367 176.241 176.600 0.013 0.000 0.996 358 K CA 0.693 56.987 56.287 0.013 0.000 0.737 358 K CB -1.491 31.051 32.500 0.070 0.000 1.308 358 K HN 0.897 nan 8.250 nan 0.000 0.470 359 N N -0.696 118.001 118.700 -0.005 0.000 2.710 359 N HA -0.249 4.486 4.740 -0.007 0.000 0.249 359 N C 0.631 176.141 175.510 0.001 0.000 1.059 359 N CA 2.483 55.531 53.050 -0.003 0.000 0.720 359 N CB -1.082 37.407 38.487 0.002 0.000 0.983 359 N HN 0.946 nan 8.380 nan 0.000 0.544 360 G N -1.564 107.237 108.800 0.003 0.000 2.175 360 G HA2 -0.306 3.650 3.960 -0.007 0.000 0.244 360 G HA3 -0.306 3.650 3.960 -0.007 0.000 0.244 360 G C 0.623 175.534 174.900 0.017 0.000 0.982 360 G CA 0.313 45.416 45.100 0.005 0.000 0.641 360 G HN 0.510 nan 8.290 nan 0.000 0.527 361 N N -0.450 118.271 118.700 0.034 0.000 2.236 361 N HA 0.122 4.857 4.740 -0.007 0.000 0.196 361 N C 0.404 175.947 175.510 0.054 0.000 1.114 361 N CA -0.268 52.801 53.050 0.031 0.000 0.859 361 N CB 0.279 38.781 38.487 0.024 0.000 0.982 361 N HN 0.512 nan 8.380 nan 0.000 0.493 362 Y N 2.225 122.486 120.300 -0.066 0.000 2.721 362 Y HA -0.087 4.459 4.550 -0.005 0.000 0.329 362 Y C 0.572 176.415 175.900 -0.095 0.000 1.211 362 Y CA -0.656 57.392 58.100 -0.086 0.000 1.512 362 Y CB 0.223 38.618 38.460 -0.108 0.000 1.249 362 Y HN 0.066 nan 8.280 nan 0.000 0.549 363 C N 8.079 127.066 119.300 -0.522 0.000 2.624 363 C HA 0.484 4.940 4.460 -0.007 0.000 0.397 363 C C -0.430 174.214 174.990 -0.577 0.000 1.331 363 C CA -0.583 58.187 59.018 -0.414 0.000 1.716 363 C CB -2.193 25.414 27.740 -0.220 0.000 2.452 363 C HN 0.611 nan 8.230 nan 0.000 0.586 364 V N 8.642 128.351 119.914 -0.342 0.000 2.444 364 V HA 0.472 4.587 4.120 -0.007 0.000 0.294 364 V C -0.082 175.902 176.094 -0.183 0.000 1.022 364 V CA -0.304 61.804 62.300 -0.320 0.000 0.850 364 V CB 1.415 33.008 31.823 -0.384 0.000 0.992 364 V HN 0.751 nan 8.190 nan 0.000 0.426 365 L N 4.533 125.727 121.223 -0.048 0.000 2.346 365 L HA 0.639 4.975 4.340 -0.007 0.000 0.276 365 L C -0.365 176.569 176.870 0.107 0.000 1.006 365 L CA -0.502 54.341 54.840 0.005 0.000 0.817 365 L CB 2.077 44.143 42.059 0.012 0.000 1.272 365 L HN 0.618 nan 8.230 nan 0.000 0.421 366 Q N 3.068 122.890 119.800 0.037 0.000 2.325 366 Q HA 0.521 4.856 4.340 -0.007 0.000 0.262 366 Q C -1.079 174.811 176.000 -0.184 0.000 0.968 366 Q CA -0.802 55.017 55.803 0.026 0.000 0.877 366 Q CB 1.943 30.727 28.738 0.076 0.000 1.253 366 Q HN 0.559 nan 8.270 nan 0.000 0.448 367 M N 3.613 122.995 119.600 -0.363 0.000 2.300 367 M HA 0.258 4.734 4.480 -0.007 0.000 0.348 367 M C -1.159 174.866 176.300 -0.459 0.000 1.151 367 M CA -0.541 54.389 55.300 -0.617 0.000 1.046 367 M CB 1.425 33.219 32.600 -1.344 0.000 1.647 367 M HN 0.539 nan 8.290 nan 0.000 0.451 368 D N 3.010 123.221 120.400 -0.314 0.000 2.342 368 D HA 0.013 4.649 4.640 -0.007 0.000 0.260 368 D C 0.670 176.972 176.300 0.004 0.000 1.278 368 D CA 0.634 54.566 54.000 -0.113 0.000 0.910 368 D CB 0.693 41.460 40.800 -0.054 0.000 1.079 368 D HN 0.804 nan 8.370 nan 0.000 0.496 369 Q N 2.162 122.019 119.800 0.096 0.000 2.234 369 Q HA -0.178 4.157 4.340 -0.007 0.000 0.206 369 Q C 1.514 177.662 176.000 0.246 0.000 0.980 369 Q CA 1.405 57.389 55.803 0.301 0.000 0.869 369 Q CB 0.146 29.027 28.738 0.238 0.000 0.912 369 Q HN 0.601 nan 8.270 nan 0.000 0.436 370 S N -1.188 114.607 115.700 0.159 0.000 2.558 370 S HA -0.071 4.395 4.470 -0.007 0.000 0.217 370 S C 0.347 175.030 174.600 0.137 0.000 0.975 370 S CA -0.549 57.724 58.200 0.122 0.000 0.912 370 S CB -0.182 63.065 63.200 0.079 0.000 0.776 370 S HN 0.406 nan 8.310 nan 0.000 0.526 371 Y N 3.245 123.578 120.300 0.054 0.000 2.526 371 Y HA 0.407 4.952 4.550 -0.007 0.000 0.330 371 Y C -0.108 175.833 175.900 0.068 0.000 1.156 371 Y CA -0.122 58.001 58.100 0.037 0.000 1.419 371 Y CB 0.384 38.843 38.460 -0.002 0.000 1.250 371 Y HN 0.077 nan 8.280 nan 0.000 0.540 372 K N 8.321 128.307 120.400 -0.690 0.000 2.378 372 K HA 0.386 4.701 4.320 -0.007 0.000 0.252 372 K C -2.599 173.508 176.600 -0.821 0.000 0.931 372 K CA -2.018 53.935 56.287 -0.556 0.000 0.794 372 K CB 1.674 34.034 32.500 -0.234 0.000 1.181 372 K HN 0.521 nan 8.250 nan 0.000 0.425 373 P HA 0.068 nan 4.420 nan 0.000 0.274 373 P C -0.754 176.458 177.300 -0.147 0.000 1.231 373 P CA -0.260 62.672 63.100 -0.281 0.000 0.790 373 P CB 0.677 32.344 31.700 -0.055 0.000 0.951 374 D N 1.172 121.530 120.400 -0.069 0.000 2.382 374 D HA -0.003 4.632 4.640 -0.007 0.000 0.240 374 D C 1.394 177.681 176.300 -0.021 0.000 1.146 374 D CA 0.070 54.047 54.000 -0.037 0.000 0.897 374 D CB 0.985 41.781 40.800 -0.007 0.000 1.197 374 D HN 0.411 nan 8.370 nan 0.000 0.432 375 E N 0.346 120.536 120.200 -0.018 0.000 2.106 375 E HA -0.116 4.229 4.350 -0.007 0.000 0.192 375 E C 0.823 177.427 176.600 0.006 0.000 0.984 375 E CA 0.519 56.914 56.400 -0.007 0.000 0.806 375 E CB 0.188 29.882 29.700 -0.010 0.000 0.750 375 E HN 0.351 nan 8.360 nan 0.000 0.458 376 N N 1.536 120.241 118.700 0.008 0.000 2.498 376 N HA 0.001 4.737 4.740 -0.007 0.000 0.287 376 N C -1.053 174.471 175.510 0.024 0.000 1.097 376 N CA 0.115 53.175 53.050 0.016 0.000 0.973 376 N CB 0.950 39.444 38.487 0.012 0.000 1.153 376 N HN 0.046 nan 8.380 nan 0.000 0.472 377 E N 0.835 121.056 120.200 0.034 0.000 2.293 377 E HA 0.501 4.847 4.350 -0.007 0.000 0.270 377 E C -1.430 175.198 176.600 0.047 0.000 0.879 377 E CA -1.022 55.401 56.400 0.040 0.000 0.756 377 E CB 2.142 31.873 29.700 0.052 0.000 1.208 377 E HN 0.184 nan 8.360 nan 0.000 0.428 378 V N 1.990 121.932 119.914 0.047 0.000 2.864 378 V HA 0.744 4.859 4.120 -0.007 0.000 0.314 378 V C -1.256 174.888 176.094 0.082 0.000 1.073 378 V CA -0.619 61.721 62.300 0.066 0.000 0.956 378 V CB 1.786 33.639 31.823 0.051 0.000 1.023 378 V HN 0.881 nan 8.190 nan 0.000 0.435 379 R N 2.263 122.831 120.500 0.113 0.000 2.740 379 R HA 0.725 5.061 4.340 -0.007 0.000 0.273 379 R C -1.474 174.922 176.300 0.160 0.000 0.998 379 R CA -0.690 55.483 56.100 0.122 0.000 0.900 379 R CB 1.995 32.355 30.300 0.101 0.000 1.223 379 R HN 0.499 nan 8.270 nan 0.000 0.466 380 T N 2.693 117.342 114.554 0.158 0.000 2.771 380 T HA 0.444 4.790 4.350 -0.007 0.000 0.281 380 T C -1.287 173.459 174.700 0.077 0.000 0.982 380 T CA -0.582 61.596 62.100 0.130 0.000 0.978 380 T CB 1.045 70.014 68.868 0.169 0.000 0.930 380 T HN 0.403 nan 8.240 nan 0.000 0.447 381 L N 4.952 126.199 121.223 0.041 0.000 2.406 381 L HA 0.584 4.920 4.340 -0.007 0.000 0.272 381 L C -0.303 176.649 176.870 0.136 0.000 0.980 381 L CA -0.829 54.059 54.840 0.080 0.000 0.831 381 L CB 0.569 42.666 42.059 0.064 0.000 1.253 381 L HN 0.705 nan 8.230 nan 0.000 0.406 382 F N 5.822 125.749 119.950 -0.038 0.000 3.027 382 F HA -0.121 4.402 4.527 -0.008 0.000 0.276 382 F C 1.343 177.102 175.800 -0.067 0.000 0.967 382 F CA 1.559 59.534 58.000 -0.042 0.000 0.929 382 F CB -1.011 37.966 39.000 -0.038 0.000 0.873 382 F HN 1.049 nan 8.300 nan 0.000 0.787 383 G N -0.064 108.656 108.800 -0.134 0.000 2.212 383 G HA2 -0.331 3.625 3.960 -0.007 0.000 0.266 383 G HA3 -0.331 3.625 3.960 -0.007 0.000 0.266 383 G C 0.442 175.123 174.900 -0.364 0.000 0.978 383 G CA 0.370 45.329 45.100 -0.234 0.000 0.632 383 G HN 0.728 nan 8.290 nan 0.000 0.537 384 L N 0.469 121.501 121.223 -0.318 0.000 2.400 384 L HA 0.642 4.977 4.340 -0.007 0.000 0.264 384 L C 0.328 176.869 176.870 -0.549 0.000 1.061 384 L CA -1.281 53.318 54.840 -0.403 0.000 0.799 384 L CB 1.047 43.028 42.059 -0.129 0.000 1.240 384 L HN 0.089 nan 8.230 nan 0.000 0.461 385 H N 2.089 121.182 119.070 0.037 0.000 2.505 385 H HA 0.459 5.011 4.556 -0.008 0.000 0.338 385 H C -0.878 174.475 175.328 0.041 0.000 1.057 385 H CA -0.504 55.568 56.048 0.041 0.000 1.202 385 H CB 2.006 31.790 29.762 0.036 0.000 1.466 385 H HN 0.306 nan 8.280 nan 0.000 0.499 386 L N 2.366 123.673 121.223 0.139 0.000 2.298 386 L HA 0.274 4.609 4.340 -0.007 0.000 0.284 386 L C 0.335 177.264 176.870 0.099 0.000 1.013 386 L CA -0.444 54.454 54.840 0.098 0.000 0.824 386 L CB 1.566 43.670 42.059 0.075 0.000 1.221 386 L HN 0.445 nan 8.230 nan 0.000 0.418 387 S N 4.185 119.934 115.700 0.082 0.000 2.503 387 S HA 0.800 5.266 4.470 -0.007 0.000 0.301 387 S C -0.935 173.698 174.600 0.054 0.000 1.087 387 S CA -0.426 57.814 58.200 0.065 0.000 1.042 387 S CB 1.589 64.822 63.200 0.056 0.000 1.043 387 S HN 0.692 nan 8.310 nan 0.000 0.489 388 Q N 1.779 121.608 119.800 0.048 0.000 2.702 388 Q HA 0.399 4.735 4.340 -0.007 0.000 0.289 388 Q C -1.755 174.267 176.000 0.036 0.000 0.923 388 Q CA -1.168 54.661 55.803 0.043 0.000 0.787 388 Q CB 0.871 29.640 28.738 0.053 0.000 1.476 388 Q HN 0.615 nan 8.270 nan 0.000 0.402 389 K N 1.612 122.029 120.400 0.028 0.000 2.298 389 K HA 0.223 4.539 4.320 -0.007 0.000 0.280 389 K C 0.005 176.622 176.600 0.029 0.000 1.032 389 K CA -0.491 55.809 56.287 0.021 0.000 0.958 389 K CB 0.769 33.275 32.500 0.010 0.000 0.978 389 K HN 0.715 nan 8.250 nan 0.000 0.472 390 R N 2.422 122.941 120.500 0.031 0.000 2.801 390 R HA 0.004 4.340 4.340 -0.007 0.000 0.273 390 R C -0.087 176.229 176.300 0.026 0.000 1.080 390 R CA -0.488 55.638 56.100 0.043 0.000 1.197 390 R CB 0.139 30.469 30.300 0.050 0.000 1.109 390 R HN 0.480 nan 8.270 nan 0.000 0.535 391 N N 1.127 119.841 118.700 0.024 0.000 2.508 391 N HA 0.012 4.748 4.740 -0.007 0.000 0.253 391 N C -1.038 174.456 175.510 -0.027 0.000 1.145 391 N CA -0.117 52.922 53.050 -0.019 0.000 0.973 391 N CB 0.052 38.502 38.487 -0.062 0.000 1.305 391 N HN 0.481 nan 8.380 nan 0.000 0.506 392 N N 1.303 119.990 118.700 -0.022 0.000 2.376 392 N HA 0.140 4.876 4.740 -0.007 0.000 0.249 392 N C 0.309 175.795 175.510 -0.040 0.000 1.140 392 N CA -0.171 52.868 53.050 -0.019 0.000 0.870 392 N CB 0.444 38.924 38.487 -0.013 0.000 1.124 392 N HN 0.480 nan 8.380 nan 0.000 0.505 393 G N 0.086 108.848 108.800 -0.064 0.000 2.380 393 G HA2 0.229 4.185 3.960 -0.007 0.000 0.242 393 G HA3 0.229 4.185 3.960 -0.007 0.000 0.242 393 G C 0.141 174.996 174.900 -0.075 0.000 1.298 393 G CA -0.087 44.965 45.100 -0.080 0.000 0.878 393 G HN 0.029 nan 8.290 nan 0.000 0.542 394 V N 2.661 122.529 119.914 -0.077 0.000 2.465 394 V HA 0.242 4.358 4.120 -0.007 0.000 0.279 394 V C 0.211 176.252 176.094 -0.089 0.000 1.045 394 V CA -0.538 61.722 62.300 -0.066 0.000 0.938 394 V CB 1.639 33.428 31.823 -0.057 0.000 0.986 394 V HN 0.477 nan 8.190 nan 0.000 0.467 395 V N 5.678 125.564 119.914 -0.047 0.000 2.275 395 V HA 0.472 4.587 4.120 -0.007 0.000 0.272 395 V C -0.410 175.710 176.094 0.042 0.000 1.028 395 V CA -0.446 61.841 62.300 -0.022 0.000 0.810 395 V CB 0.835 32.692 31.823 0.055 0.000 1.043 395 V HN 1.103 nan 8.190 nan 0.000 0.453 396 D N 3.630 124.037 120.400 0.013 0.000 2.732 396 D HA 0.504 5.139 4.640 -0.007 0.000 0.292 396 D C 1.061 177.448 176.300 0.145 0.000 1.135 396 D CA -0.121 53.922 54.000 0.073 0.000 1.071 396 D CB 1.420 42.228 40.800 0.013 0.000 1.457 396 D HN 0.115 nan 8.370 nan 0.000 0.547 397 K N 0.027 120.509 120.400 0.138 0.000 2.097 397 K HA -0.077 4.238 4.320 -0.007 0.000 0.206 397 K C 2.070 178.740 176.600 0.116 0.000 1.049 397 K CA 2.162 58.559 56.287 0.184 0.000 0.933 397 K CB -1.408 31.145 32.500 0.089 0.000 0.717 397 K HN 0.369 nan 8.250 nan 0.000 0.442 398 S N 0.429 116.139 115.700 0.017 0.000 2.374 398 S HA -0.152 4.313 4.470 -0.007 0.000 0.227 398 S C 1.987 176.520 174.600 -0.112 0.000 1.037 398 S CA 1.414 59.594 58.200 -0.034 0.000 1.024 398 S CB -0.366 62.806 63.200 -0.046 0.000 0.861 398 S HN 0.524 nan 8.310 nan 0.000 0.456 399 L N 0.713 121.786 121.223 -0.250 0.000 2.081 399 L HA -0.067 4.269 4.340 -0.007 0.000 0.212 399 L C 1.264 177.792 176.870 -0.570 0.000 1.080 399 L CA 1.859 56.405 54.840 -0.490 0.000 0.754 399 L CB -0.558 41.028 42.059 -0.788 0.000 0.893 399 L HN 0.280 nan 8.230 nan 0.000 0.433 400 F N -1.133 118.802 119.950 -0.026 0.000 2.732 400 F HA 0.158 4.680 4.527 -0.007 0.000 0.303 400 F C 2.352 178.140 175.800 -0.020 0.000 1.110 400 F CA 0.483 58.469 58.000 -0.023 0.000 1.355 400 F CB -0.996 37.984 39.000 -0.034 0.000 1.081 400 F HN 0.204 nan 8.300 nan 0.000 0.565 401 S N -0.775 114.963 115.700 0.063 0.000 2.555 401 S HA -0.139 4.327 4.470 -0.007 0.000 0.230 401 S C 0.987 175.606 174.600 0.030 0.000 0.978 401 S CA 0.165 58.392 58.200 0.045 0.000 0.934 401 S CB -0.658 62.553 63.200 0.018 0.000 0.766 401 S HN 0.505 nan 8.310 nan 0.000 0.533 402 N N 2.067 120.783 118.700 0.027 0.000 3.322 402 N HA 0.163 4.898 4.740 -0.007 0.000 0.290 402 N C -0.837 174.702 175.510 0.047 0.000 1.297 402 N CA -0.220 52.848 53.050 0.030 0.000 1.167 402 N CB 0.497 38.997 38.487 0.023 0.000 1.434 402 N HN 0.112 nan 8.380 nan 0.000 0.526 403 V N 2.309 122.247 119.914 0.040 0.000 2.521 403 V HA 0.008 4.124 4.120 -0.007 0.000 0.286 403 V C 1.282 177.387 176.094 0.018 0.000 1.034 403 V CA -0.046 62.273 62.300 0.031 0.000 1.045 403 V CB 1.354 33.196 31.823 0.030 0.000 0.974 403 V HN 0.287 nan 8.190 nan 0.000 0.480 404 V N 4.258 124.169 119.914 -0.005 0.000 3.660 404 V HA 0.049 4.165 4.120 -0.007 0.000 0.276 404 V C 1.226 177.310 176.094 -0.016 0.000 1.317 404 V CA 0.984 63.282 62.300 -0.004 0.000 1.097 404 V CB 0.398 32.220 31.823 -0.001 0.000 0.863 404 V HN 1.082 nan 8.190 nan 0.000 0.438 405 T N -0.997 113.544 114.554 -0.022 0.000 2.788 405 T HA 0.427 4.772 4.350 -0.007 0.000 0.280 405 T C 0.466 175.165 174.700 -0.002 0.000 0.984 405 T CA 0.049 62.139 62.100 -0.015 0.000 0.972 405 T CB 0.986 69.844 68.868 -0.016 0.000 1.039 405 T HN 0.304 nan 8.240 nan 0.000 0.530 406 K N 0.884 121.283 120.400 -0.002 0.000 2.502 406 K HA 0.337 4.652 4.320 -0.007 0.000 0.244 406 K C 0.140 176.742 176.600 0.003 0.000 1.249 406 K CA -0.361 55.927 56.287 0.001 0.000 1.193 406 K CB -1.380 31.119 32.500 -0.001 0.000 1.674 406 K HN 0.905 nan 8.250 nan 0.000 0.302 407 N N 0.442 119.146 118.700 0.007 0.000 6.076 407 N HA -0.034 4.702 4.740 -0.007 0.000 0.131 407 N C -0.662 174.859 175.510 0.019 0.000 1.042 407 N CA -0.207 52.851 53.050 0.013 0.000 1.110 407 N CB 0.272 38.767 38.487 0.014 0.000 1.487 407 N HN 0.297 nan 8.380 nan 0.000 1.149 408 K N 1.234 121.644 120.400 0.017 0.000 2.440 408 K HA 0.069 4.385 4.320 -0.007 0.000 0.206 408 K C -0.450 176.160 176.600 0.018 0.000 1.025 408 K CA -0.248 56.050 56.287 0.019 0.000 1.135 408 K CB 0.162 32.671 32.500 0.015 0.000 0.856 408 K HN 0.426 nan 8.250 nan 0.000 0.502 409 D N 1.524 121.936 120.400 0.020 0.000 2.365 409 D HA 0.038 4.673 4.640 -0.007 0.000 0.237 409 D C -0.660 175.645 176.300 0.007 0.000 1.190 409 D CA -0.462 53.544 54.000 0.011 0.000 0.867 409 D CB 1.017 41.825 40.800 0.013 0.000 1.050 409 D HN -0.113 nan 8.370 nan 0.000 0.491 410 L N 5.026 126.231 121.223 -0.030 0.000 2.264 410 L HA 0.378 4.714 4.340 -0.007 0.000 0.287 410 L C -2.310 174.463 176.870 -0.162 0.000 1.039 410 L CA -1.829 52.948 54.840 -0.105 0.000 0.829 410 L CB 1.019 43.021 42.059 -0.095 0.000 1.211 410 L HN 0.253 nan 8.230 nan 0.000 0.427 411 P HA 0.030 nan 4.420 nan 0.000 0.266 411 P C 0.556 177.730 177.300 -0.211 0.000 1.193 411 P CA -0.117 62.869 63.100 -0.189 0.000 0.770 411 P CB 0.654 32.234 31.700 -0.200 0.000 0.836 412 E N 0.908 121.028 120.200 -0.132 0.000 2.130 412 E HA -0.177 4.168 4.350 -0.007 0.000 0.196 412 E C 1.833 178.345 176.600 -0.145 0.000 0.998 412 E CA 2.044 58.374 56.400 -0.116 0.000 0.806 412 E CB -0.491 29.168 29.700 -0.070 0.000 0.738 412 E HN 0.601 nan 8.360 nan 0.000 0.459 413 S N 0.577 116.188 115.700 -0.149 0.000 2.383 413 S HA -0.005 4.460 4.470 -0.007 0.000 0.227 413 S C 2.235 176.696 174.600 -0.231 0.000 1.026 413 S CA 1.004 59.120 58.200 -0.141 0.000 0.981 413 S CB -0.092 63.057 63.200 -0.085 0.000 0.818 413 S HN 0.248 nan 8.310 nan 0.000 0.472 414 A N 1.716 124.286 122.820 -0.417 0.000 1.930 414 A HA 0.138 4.453 4.320 -0.007 0.000 0.217 414 A C 2.205 179.509 177.584 -0.466 0.000 1.175 414 A CA 1.422 53.058 52.037 -0.669 0.000 0.627 414 A CB -0.846 17.239 19.000 -1.525 0.000 0.815 414 A HN 0.509 nan 8.150 nan 0.000 0.443 415 L N 0.029 121.021 121.223 -0.385 0.000 2.093 415 L HA -0.096 4.240 4.340 -0.007 0.000 0.208 415 L C 2.427 179.108 176.870 -0.315 0.000 1.085 415 L CA 2.207 56.832 54.840 -0.358 0.000 0.755 415 L CB -0.602 41.325 42.059 -0.219 0.000 0.904 415 L HN 0.499 nan 8.230 nan 0.000 0.435 416 R N -0.597 119.774 120.500 -0.215 0.000 2.073 416 R HA -0.159 4.176 4.340 -0.007 0.000 0.234 416 R C 1.673 177.880 176.300 -0.155 0.000 1.134 416 R CA 1.899 57.911 56.100 -0.147 0.000 0.952 416 R CB -0.352 29.889 30.300 -0.097 0.000 0.850 416 R HN 0.369 nan 8.270 nan 0.000 0.433 417 D N 0.624 120.923 120.400 -0.168 0.000 2.219 417 D HA -0.101 4.535 4.640 -0.007 0.000 0.205 417 D C 1.949 178.145 176.300 -0.173 0.000 0.970 417 D CA 0.769 54.690 54.000 -0.133 0.000 0.851 417 D CB 0.001 40.745 40.800 -0.093 0.000 0.943 417 D HN 0.304 nan 8.370 nan 0.000 0.488 418 L N 0.131 121.167 121.223 -0.313 0.000 2.179 418 L HA 0.006 4.341 4.340 -0.007 0.000 0.208 418 L C 2.364 179.000 176.870 -0.389 0.000 1.096 418 L CA 0.417 54.997 54.840 -0.434 0.000 0.779 418 L CB -0.033 41.532 42.059 -0.823 0.000 0.922 418 L HN -0.018 nan 8.230 nan 0.000 0.443 419 I N -1.020 119.340 120.570 -0.350 0.000 2.252 419 I HA -0.235 3.930 4.170 -0.007 0.000 0.245 419 I C 2.382 178.505 176.117 0.009 0.000 1.102 419 I CA 0.866 62.134 61.300 -0.053 0.000 1.385 419 I CB -0.083 37.910 38.000 -0.011 0.000 1.064 419 I HN 0.006 nan 8.210 nan 0.000 0.414 420 V N 1.026 120.919 119.914 -0.034 0.000 2.295 420 V HA -0.287 3.829 4.120 -0.007 0.000 0.246 420 V C 2.696 178.802 176.094 0.019 0.000 1.049 420 V CA 2.038 64.339 62.300 0.001 0.000 1.024 420 V CB -0.998 30.816 31.823 -0.015 0.000 0.648 420 V HN 0.486 nan 8.190 nan 0.000 0.447 421 A N -0.283 122.533 122.820 -0.006 0.000 1.933 421 A HA -0.201 4.115 4.320 -0.007 0.000 0.218 421 A C 2.383 179.993 177.584 0.044 0.000 1.175 421 A CA 2.429 54.474 52.037 0.013 0.000 0.628 421 A CB -0.862 18.129 19.000 -0.015 0.000 0.814 421 A HN 0.520 nan 8.150 nan 0.000 0.444 422 T N 0.069 114.665 114.554 0.071 0.000 2.812 422 T HA -0.001 4.344 4.350 -0.007 0.000 0.264 422 T C 1.784 176.528 174.700 0.073 0.000 1.042 422 T CA 1.325 63.488 62.100 0.106 0.000 1.140 422 T CB -0.322 68.702 68.868 0.260 0.000 0.870 422 T HN 0.402 nan 8.240 nan 0.000 0.445 423 I N 1.340 121.968 120.570 0.095 0.000 2.315 423 I HA -0.137 4.028 4.170 -0.007 0.000 0.248 423 I C 2.871 179.084 176.117 0.161 0.000 1.117 423 I CA 0.822 62.191 61.300 0.116 0.000 1.404 423 I CB -0.404 37.676 38.000 0.133 0.000 1.071 423 I HN 0.193 nan 8.210 nan 0.000 0.419 424 A N 0.802 123.700 122.820 0.131 0.000 1.877 424 A HA -0.204 4.112 4.320 -0.007 0.000 0.216 424 A C 2.428 180.080 177.584 0.113 0.000 1.186 424 A CA 2.246 54.370 52.037 0.146 0.000 0.620 424 A CB -1.161 17.896 19.000 0.095 0.000 0.822 424 A HN 0.360 nan 8.150 nan 0.000 0.443 425 V N -1.284 118.666 119.914 0.059 0.000 2.490 425 V HA -0.226 3.889 4.120 -0.007 0.000 0.250 425 V C 2.181 178.254 176.094 -0.035 0.000 1.061 425 V CA 2.534 64.853 62.300 0.031 0.000 1.064 425 V CB -1.022 30.814 31.823 0.021 0.000 0.670 425 V HN 0.593 nan 8.190 nan 0.000 0.461 426 K N -0.421 119.905 120.400 -0.124 0.000 2.211 426 K HA -0.166 4.150 4.320 -0.007 0.000 0.204 426 K C 1.144 177.324 176.600 -0.700 0.000 1.047 426 K CA 1.912 57.962 56.287 -0.396 0.000 0.935 426 K CB -0.202 31.995 32.500 -0.506 0.000 0.728 426 K HN 0.661 nan 8.250 nan 0.000 0.452 427 Y N 0.089 120.333 120.300 -0.093 0.000 2.720 427 Y HA 0.241 4.787 4.550 -0.007 0.000 0.268 427 Y C -0.480 175.527 175.900 0.179 0.000 1.142 427 Y CA -0.395 57.646 58.100 -0.098 0.000 1.193 427 Y CB 1.060 39.579 38.460 0.099 0.000 1.176 427 Y HN -0.195 nan 8.280 nan 0.000 0.542 428 T N 1.548 116.243 114.554 0.236 0.000 2.797 428 T HA 0.248 4.593 4.350 -0.007 0.000 0.279 428 T C -0.200 174.649 174.700 0.248 0.000 0.991 428 T CA -0.862 61.363 62.100 0.208 0.000 0.979 428 T CB 1.191 70.116 68.868 0.095 0.000 0.943 428 T HN -0.067 nan 8.240 nan 0.000 0.444 429 Q N 1.931 121.835 119.800 0.174 0.000 2.315 429 Q HA 0.172 4.507 4.340 -0.007 0.000 0.289 429 Q C 0.294 176.264 176.000 -0.049 0.000 1.044 429 Q CA 0.295 56.108 55.803 0.018 0.000 0.920 429 Q CB 0.427 29.190 28.738 0.043 0.000 1.214 429 Q HN 0.587 nan 8.270 nan 0.000 0.392 430 S N 1.980 117.515 115.700 -0.275 0.000 2.603 430 S HA 0.153 4.618 4.470 -0.007 0.000 0.268 430 S C 0.582 175.142 174.600 -0.066 0.000 1.317 430 S CA -0.721 57.335 58.200 -0.239 0.000 1.012 430 S CB 0.432 63.305 63.200 -0.546 0.000 0.926 430 S HN 0.670 nan 8.310 nan 0.000 0.539 431 N N 0.016 118.685 118.700 -0.053 0.000 2.445 431 N HA 0.342 5.078 4.740 -0.007 0.000 0.264 431 N C -1.103 174.430 175.510 0.038 0.000 1.227 431 N CA -0.610 52.422 53.050 -0.030 0.000 0.963 431 N CB 0.542 39.030 38.487 0.002 0.000 1.188 431 N HN 0.385 nan 8.380 nan 0.000 0.491 432 S N 0.003 115.749 115.700 0.076 0.000 2.541 432 S HA 0.505 4.970 4.470 -0.007 0.000 0.280 432 S C -1.025 173.630 174.600 0.093 0.000 1.112 432 S CA -0.766 57.483 58.200 0.081 0.000 0.925 432 S CB 1.910 65.152 63.200 0.069 0.000 1.067 432 S HN 0.460 nan 8.310 nan 0.000 0.479 433 V N 1.390 121.375 119.914 0.118 0.000 2.733 433 V HA 0.611 4.727 4.120 -0.007 0.000 0.306 433 V C -0.870 175.322 176.094 0.163 0.000 1.084 433 V CA -0.682 61.703 62.300 0.141 0.000 0.905 433 V CB 1.690 33.644 31.823 0.219 0.000 1.010 433 V HN 1.101 nan 8.190 nan 0.000 0.424 434 C N 5.773 125.146 119.300 0.122 0.000 2.482 434 C HA 0.783 5.238 4.460 -0.007 0.000 0.317 434 C C -1.190 173.876 174.990 0.127 0.000 1.197 434 C CA -0.549 58.559 59.018 0.149 0.000 1.432 434 C CB 0.705 28.494 27.740 0.083 0.000 2.062 434 C HN 0.774 nan 8.230 nan 0.000 0.471 435 Y N 3.608 123.900 120.300 -0.013 0.000 2.330 435 Y HA 0.658 5.204 4.550 -0.007 0.000 0.336 435 Y C 0.641 176.484 175.900 -0.095 0.000 1.036 435 Y CA -0.011 58.064 58.100 -0.042 0.000 1.125 435 Y CB 1.549 39.977 38.460 -0.052 0.000 1.194 435 Y HN 0.980 nan 8.280 nan 0.000 0.469 436 A N 3.677 126.515 122.820 0.030 0.000 2.498 436 A HA 0.883 5.198 4.320 -0.007 0.000 0.298 436 A C -1.229 176.317 177.584 -0.065 0.000 1.075 436 A CA -0.896 51.109 52.037 -0.053 0.000 0.714 436 A CB 2.081 21.054 19.000 -0.046 0.000 1.299 436 A HN 0.700 nan 8.150 nan 0.000 0.407 437 K N 1.238 121.576 120.400 -0.102 0.000 2.569 437 K HA 0.396 4.712 4.320 -0.007 0.000 0.259 437 K C -0.958 175.636 176.600 -0.010 0.000 0.932 437 K CA -0.512 55.744 56.287 -0.052 0.000 0.833 437 K CB 0.882 33.346 32.500 -0.060 0.000 1.340 437 K HN 0.657 nan 8.250 nan 0.000 0.429 438 N N 2.234 120.952 118.700 0.031 0.000 2.740 438 N HA -0.181 4.554 4.740 -0.007 0.000 0.248 438 N C 0.404 175.943 175.510 0.049 0.000 1.062 438 N CA 1.755 54.845 53.050 0.066 0.000 0.704 438 N CB -1.338 37.239 38.487 0.148 0.000 0.968 438 N HN 1.140 nan 8.380 nan 0.000 0.547 439 G N -0.733 108.074 108.800 0.011 0.000 2.168 439 G HA2 -0.336 3.619 3.960 -0.007 0.000 0.257 439 G HA3 -0.336 3.619 3.960 -0.007 0.000 0.257 439 G C -0.083 174.822 174.900 0.009 0.000 0.997 439 G CA 1.261 46.365 45.100 0.007 0.000 0.708 439 G HN 0.953 nan 8.290 nan 0.000 0.520 440 Q N -1.449 118.344 119.800 -0.013 0.000 2.456 440 Q HA 0.731 5.066 4.340 -0.007 0.000 0.284 440 Q C -0.682 175.259 176.000 -0.099 0.000 1.061 440 Q CA -1.186 54.599 55.803 -0.031 0.000 0.799 440 Q CB 2.108 30.843 28.738 -0.005 0.000 1.445 440 Q HN 0.316 nan 8.270 nan 0.000 0.411 441 V N 3.397 123.261 119.914 -0.084 0.000 2.572 441 V HA 0.085 4.200 4.120 -0.007 0.000 0.291 441 V C 0.904 176.843 176.094 -0.257 0.000 1.039 441 V CA 0.329 62.566 62.300 -0.104 0.000 1.055 441 V CB 0.568 32.371 31.823 -0.035 0.000 0.969 441 V HN 0.841 nan 8.190 nan 0.000 0.482 442 I N 1.830 122.201 120.570 -0.333 0.000 4.288 442 I HA 0.646 4.812 4.170 -0.007 0.000 0.331 442 I C 0.737 176.698 176.117 -0.259 0.000 1.322 442 I CA 0.157 61.079 61.300 -0.629 0.000 1.149 442 I CB 0.885 38.213 38.000 -1.119 0.000 1.112 442 I HN 0.611 nan 8.210 nan 0.000 0.403 443 G N 2.295 111.035 108.800 -0.100 0.000 2.659 443 G HA2 0.619 4.575 3.960 -0.007 0.000 0.291 443 G HA3 0.619 4.575 3.960 -0.007 0.000 0.291 443 G C -1.866 173.069 174.900 0.059 0.000 1.379 443 G CA -0.313 44.756 45.100 -0.052 0.000 1.254 443 G HN 0.165 nan 8.290 nan 0.000 0.590 444 I N 1.484 122.089 120.570 0.059 0.000 2.769 444 I HA 0.837 5.003 4.170 -0.007 0.000 0.298 444 I C -0.024 176.145 176.117 0.086 0.000 1.128 444 I CA -0.866 60.491 61.300 0.094 0.000 1.031 444 I CB 2.358 40.394 38.000 0.061 0.000 1.235 444 I HN 0.694 nan 8.210 nan 0.000 0.423 445 G N 4.977 113.840 108.800 0.106 0.000 2.566 445 G HA2 0.830 4.786 3.960 -0.007 0.000 0.311 445 G HA3 0.830 4.786 3.960 -0.007 0.000 0.311 445 G C -1.689 173.261 174.900 0.083 0.000 1.322 445 G CA -0.422 44.734 45.100 0.095 0.000 0.969 445 G HN 0.855 nan 8.290 nan 0.000 0.490 446 A N 0.320 123.181 122.820 0.069 0.000 2.515 446 A HA 0.864 5.180 4.320 -0.007 0.000 0.296 446 A C 0.890 178.506 177.584 0.053 0.000 1.094 446 A CA 0.198 52.270 52.037 0.058 0.000 0.718 446 A CB 1.289 20.318 19.000 0.049 0.000 1.307 446 A HN 2.538 nan 8.150 nan 0.000 0.408 447 G N 0.042 108.869 108.800 0.045 0.000 2.166 447 G HA2 -0.217 3.738 3.960 -0.007 0.000 0.260 447 G HA3 -0.217 3.738 3.960 -0.007 0.000 0.260 447 G C 0.252 175.177 174.900 0.041 0.000 0.986 447 G CA 0.788 45.916 45.100 0.048 0.000 0.683 447 G HN 0.822 nan 8.290 nan 0.000 0.527 448 Q N -0.676 119.150 119.800 0.044 0.000 2.396 448 Q HA 0.457 4.792 4.340 -0.007 0.000 0.221 448 Q C 1.384 177.392 176.000 0.013 0.000 1.025 448 Q CA 0.125 55.956 55.803 0.047 0.000 0.946 448 Q CB 0.330 29.118 28.738 0.085 0.000 1.224 448 Q HN 0.671 nan 8.270 nan 0.000 0.539 449 Q N -0.669 119.130 119.800 -0.002 0.000 2.185 449 Q HA 0.228 4.563 4.340 -0.007 0.000 0.234 449 Q C -0.137 175.825 176.000 -0.065 0.000 0.819 449 Q CA -0.035 55.742 55.803 -0.043 0.000 0.961 449 Q CB 1.291 29.998 28.738 -0.052 0.000 1.140 449 Q HN 0.376 nan 8.270 nan 0.000 0.492 450 S N -0.020 115.642 115.700 -0.064 0.000 2.557 450 S HA 0.387 4.852 4.470 -0.007 0.000 0.291 450 S C 0.140 174.765 174.600 0.042 0.000 1.116 450 S CA -0.561 57.589 58.200 -0.085 0.000 0.992 450 S CB 1.698 64.692 63.200 -0.344 0.000 1.028 450 S HN 0.141 nan 8.310 nan 0.000 0.484 451 R N 3.381 123.923 120.500 0.070 0.000 2.080 451 R HA -0.023 4.312 4.340 -0.007 0.000 0.236 451 R C 1.916 178.335 176.300 0.199 0.000 1.137 451 R CA 2.331 58.518 56.100 0.145 0.000 0.943 451 R CB -1.041 29.355 30.300 0.160 0.000 0.846 451 R HN 0.745 nan 8.270 nan 0.000 0.431 452 I N 0.347 121.033 120.570 0.194 0.000 2.361 452 I HA -0.223 3.942 4.170 -0.007 0.000 0.251 452 I C 1.485 177.744 176.117 0.237 0.000 1.133 452 I CA 1.740 63.156 61.300 0.193 0.000 1.413 452 I CB -0.496 37.622 38.000 0.196 0.000 1.073 452 I HN 0.265 nan 8.210 nan 0.000 0.424 453 H N -0.878 118.239 119.070 0.079 0.000 2.353 453 H HA -0.167 4.385 4.556 -0.007 0.000 0.300 453 H C 2.478 177.852 175.328 0.078 0.000 1.090 453 H CA 1.785 57.874 56.048 0.067 0.000 1.327 453 H CB -0.968 28.828 29.762 0.057 0.000 1.383 453 H HN 0.493 nan 8.280 nan 0.000 0.508 454 C N 0.134 119.570 119.300 0.228 0.000 2.435 454 C HA -0.115 4.341 4.460 -0.007 0.000 0.279 454 C C 2.718 177.822 174.990 0.191 0.000 1.321 454 C CA 1.591 60.715 59.018 0.178 0.000 1.752 454 C CB -1.076 26.761 27.740 0.162 0.000 1.959 454 C HN 0.575 nan 8.230 nan 0.000 0.500 455 T N 0.105 114.785 114.554 0.209 0.000 2.821 455 T HA -0.106 4.239 4.350 -0.007 0.000 0.267 455 T C 1.975 176.798 174.700 0.205 0.000 1.046 455 T CA 1.227 63.473 62.100 0.244 0.000 1.139 455 T CB -0.216 68.748 68.868 0.159 0.000 0.871 455 T HN 0.605 nan 8.240 nan 0.000 0.454 456 R N 0.331 120.894 120.500 0.106 0.000 2.073 456 R HA 0.174 4.509 4.340 -0.007 0.000 0.229 456 R C 2.475 178.768 176.300 -0.012 0.000 1.120 456 R CA 0.750 56.865 56.100 0.025 0.000 0.967 456 R CB -0.447 29.837 30.300 -0.028 0.000 0.862 456 R HN 0.301 nan 8.270 nan 0.000 0.436 457 L N 0.382 121.618 121.223 0.021 0.000 2.046 457 L HA -0.115 4.221 4.340 -0.007 0.000 0.208 457 L C 2.252 179.118 176.870 -0.007 0.000 1.077 457 L CA 1.505 56.355 54.840 0.016 0.000 0.747 457 L CB -0.288 41.805 42.059 0.057 0.000 0.896 457 L HN 0.206 nan 8.230 nan 0.000 0.432 458 A N -0.405 122.432 122.820 0.028 0.000 1.968 458 A HA -0.043 4.273 4.320 -0.007 0.000 0.217 458 A C 2.241 179.570 177.584 -0.425 0.000 1.169 458 A CA 1.214 53.236 52.037 -0.024 0.000 0.638 458 A CB -1.099 18.041 19.000 0.233 0.000 0.812 458 A HN 0.534 nan 8.150 nan 0.000 0.446 459 G N -0.033 108.473 108.800 -0.490 0.000 2.408 459 G HA2 -0.197 3.759 3.960 -0.007 0.000 0.217 459 G HA3 -0.197 3.759 3.960 -0.007 0.000 0.217 459 G C 1.082 175.710 174.900 -0.453 0.000 1.150 459 G CA 1.147 45.780 45.100 -0.779 0.000 0.776 459 G HN 0.443 nan 8.290 nan 0.000 0.542 460 D N 0.775 120.994 120.400 -0.303 0.000 2.117 460 D HA -0.047 4.589 4.640 -0.007 0.000 0.197 460 D C 2.447 178.509 176.300 -0.397 0.000 0.987 460 D CA 0.805 54.577 54.000 -0.380 0.000 0.829 460 D CB -0.147 40.491 40.800 -0.269 0.000 0.961 460 D HN 0.287 nan 8.370 nan 0.000 0.460 461 K N 0.636 120.953 120.400 -0.138 0.000 2.097 461 K HA -0.036 4.280 4.320 -0.007 0.000 0.206 461 K C 2.130 178.782 176.600 0.086 0.000 1.049 461 K CA 1.019 57.350 56.287 0.073 0.000 0.933 461 K CB -0.060 32.492 32.500 0.087 0.000 0.717 461 K HN 0.029 nan 8.250 nan 0.000 0.442 462 A N 2.194 124.958 122.820 -0.094 0.000 1.877 462 A HA -0.212 4.104 4.320 -0.007 0.000 0.216 462 A C 1.813 179.534 177.584 0.228 0.000 1.186 462 A CA 1.718 53.755 52.037 -0.001 0.000 0.620 462 A CB -0.497 18.316 19.000 -0.311 0.000 0.822 462 A HN 0.238 nan 8.150 nan 0.000 0.443 463 N N -0.891 117.824 118.700 0.025 0.000 2.120 463 N HA -0.156 4.579 4.740 -0.007 0.000 0.188 463 N C 1.585 177.260 175.510 0.274 0.000 1.024 463 N CA 1.731 54.847 53.050 0.110 0.000 0.852 463 N CB -0.669 37.739 38.487 -0.132 0.000 1.003 463 N HN 0.758 nan 8.380 nan 0.000 0.424 464 Y N -1.185 119.271 120.300 0.261 0.000 2.242 464 Y HA -0.219 4.327 4.550 -0.007 0.000 0.291 464 Y C 2.385 178.480 175.900 0.325 0.000 1.137 464 Y CA 0.477 58.720 58.100 0.238 0.000 1.181 464 Y CB -0.277 38.287 38.460 0.173 0.000 0.989 464 Y HN 0.176 nan 8.280 nan 0.000 0.527 465 W N 0.462 121.987 121.300 0.374 0.000 2.355 465 W HA -0.268 4.388 4.660 -0.007 0.000 0.309 465 W C 2.455 179.305 176.519 0.551 0.000 1.206 465 W CA 1.477 59.048 57.345 0.377 0.000 1.284 465 W CB -0.782 28.867 29.460 0.314 0.000 1.145 465 W HN 0.270 nan 8.180 nan 0.000 0.502 466 W N 0.701 122.214 121.300 0.355 0.000 2.388 466 W HA -0.200 4.456 4.660 -0.006 0.000 0.294 466 W C 1.784 178.572 176.519 0.448 0.000 1.212 466 W CA 1.346 58.772 57.345 0.134 0.000 1.271 466 W CB -0.562 29.015 29.460 0.194 0.000 1.126 466 W HN -0.121 nan 8.180 nan 0.000 0.535 467 L N 0.716 122.172 121.223 0.387 0.000 2.191 467 L HA -0.191 4.145 4.340 -0.007 0.000 0.212 467 L C 2.489 179.387 176.870 0.047 0.000 1.103 467 L CA 1.254 56.234 54.840 0.234 0.000 0.769 467 L CB -0.599 41.619 42.059 0.266 0.000 0.908 467 L HN -0.120 nan 8.230 nan 0.000 0.438 468 R N -1.360 119.180 120.500 0.067 0.000 2.316 468 R HA -0.097 4.239 4.340 -0.007 0.000 0.202 468 R C 1.385 177.555 176.300 -0.217 0.000 1.029 468 R CA 0.526 56.596 56.100 -0.050 0.000 1.018 468 R CB -0.151 30.109 30.300 -0.066 0.000 0.888 468 R HN 0.428 nan 8.270 nan 0.000 0.471 469 H N -1.742 117.141 119.070 -0.311 0.000 2.575 469 H HA 0.073 4.625 4.556 -0.006 0.000 0.267 469 H C 0.222 175.290 175.328 -0.433 0.000 0.966 469 H CA -0.068 55.766 56.048 -0.357 0.000 1.165 469 H CB 0.008 29.449 29.762 -0.535 0.000 1.433 469 H HN 0.088 nan 8.280 nan 0.000 0.544 470 H N 1.815 120.504 119.070 -0.635 0.000 3.001 470 H HA -0.055 4.496 4.556 -0.008 0.000 0.334 470 H C -1.575 173.379 175.328 -0.623 0.000 1.034 470 H CA -1.322 54.041 56.048 -1.142 0.000 1.420 470 H CB 1.206 30.356 29.762 -1.020 0.000 1.405 470 H HN 0.119 nan 8.280 nan 0.000 0.593 471 P HA -0.193 nan 4.420 nan 0.000 0.218 471 P C 1.072 178.322 177.300 -0.084 0.000 1.154 471 P CA 1.855 64.769 63.100 -0.310 0.000 0.872 471 P CB 0.179 31.667 31.700 -0.353 0.000 0.790 472 Q N -1.387 118.491 119.800 0.129 0.000 2.435 472 Q HA -0.026 4.310 4.340 -0.007 0.000 0.207 472 Q C 1.802 177.778 176.000 -0.039 0.000 0.956 472 Q CA 0.659 56.482 55.803 0.033 0.000 0.917 472 Q CB -0.183 28.577 28.738 0.037 0.000 0.997 472 Q HN 0.182 nan 8.270 nan 0.000 0.497 473 V N 0.313 120.221 119.914 -0.010 0.000 2.500 473 V HA -0.120 3.995 4.120 -0.007 0.000 0.243 473 V C 1.852 177.912 176.094 -0.056 0.000 1.039 473 V CA 1.001 63.286 62.300 -0.025 0.000 1.053 473 V CB -0.111 31.724 31.823 0.020 0.000 0.695 473 V HN 0.334 nan 8.190 nan 0.000 0.463 474 L N 0.943 122.111 121.223 -0.093 0.000 2.465 474 L HA -0.041 4.295 4.340 -0.007 0.000 0.224 474 L C 2.251 179.063 176.870 -0.097 0.000 1.145 474 L CA 1.398 56.172 54.840 -0.110 0.000 0.834 474 L CB -0.431 41.540 42.059 -0.148 0.000 0.944 474 L HN 0.524 nan 8.230 nan 0.000 0.451 475 S N -1.849 113.797 115.700 -0.089 0.000 2.535 475 S HA 0.172 4.638 4.470 -0.007 0.000 0.214 475 S C 0.887 175.435 174.600 -0.087 0.000 0.980 475 S CA -0.420 57.728 58.200 -0.086 0.000 0.907 475 S CB -0.052 63.097 63.200 -0.086 0.000 0.790 475 S HN 0.165 nan 8.310 nan 0.000 0.510 476 M N 1.662 121.209 119.600 -0.087 0.000 2.246 476 M HA 0.171 4.646 4.480 -0.007 0.000 0.327 476 M C -0.218 176.013 176.300 -0.116 0.000 1.090 476 M CA 0.658 55.886 55.300 -0.120 0.000 1.087 476 M CB 0.104 32.658 32.600 -0.076 0.000 1.587 476 M HN 0.015 nan 8.290 nan 0.000 0.444 477 K N 2.771 123.033 120.400 -0.229 0.000 2.613 477 K HA 0.467 4.783 4.320 -0.007 0.000 0.248 477 K C -1.659 174.744 176.600 -0.328 0.000 0.959 477 K CA -0.111 56.082 56.287 -0.157 0.000 0.855 477 K CB 0.981 33.427 32.500 -0.090 0.000 1.143 477 K HN 0.272 nan 8.250 nan 0.000 0.437 478 F N 1.642 121.452 119.950 -0.233 0.000 2.378 478 F HA 0.511 5.031 4.527 -0.012 0.000 0.325 478 F C 1.315 176.995 175.800 -0.200 0.000 1.097 478 F CA -0.500 57.298 58.000 -0.335 0.000 1.079 478 F CB 0.556 39.302 39.000 -0.424 0.000 1.240 478 F HN 0.346 nan 8.300 nan 0.000 0.519 479 K N -0.296 120.095 120.400 -0.016 0.000 2.219 479 K HA 0.580 4.895 4.320 -0.007 0.000 0.258 479 K C 0.224 176.816 176.600 -0.014 0.000 1.008 479 K CA -0.075 56.197 56.287 -0.024 0.000 0.928 479 K CB -0.946 31.532 32.500 -0.037 0.000 0.983 479 K HN 0.992 nan 8.250 nan 0.000 0.484 480 T N 0.292 114.836 114.554 -0.017 0.000 2.831 480 T HA 0.462 4.807 4.350 -0.007 0.000 0.291 480 T C 1.447 176.132 174.700 -0.025 0.000 0.981 480 T CA 1.284 63.372 62.100 -0.019 0.000 1.174 480 T CB -0.688 68.170 68.868 -0.016 0.000 0.929 480 T HN 2.068 nan 8.240 nan 0.000 0.532 481 G N 0.392 109.172 108.800 -0.033 0.000 2.184 481 G HA2 0.225 4.181 3.960 -0.007 0.000 0.206 481 G HA3 0.225 4.181 3.960 -0.007 0.000 0.206 481 G C 0.334 175.201 174.900 -0.055 0.000 0.995 481 G CA -0.067 45.010 45.100 -0.038 0.000 0.651 481 G HN 1.947 nan 8.290 nan 0.000 0.511 482 V N 0.636 120.507 119.914 -0.073 0.000 2.427 482 V HA 0.816 4.931 4.120 -0.007 0.000 0.268 482 V C 0.788 176.783 176.094 -0.166 0.000 1.046 482 V CA 0.712 62.940 62.300 -0.120 0.000 0.970 482 V CB 0.101 31.845 31.823 -0.132 0.000 1.001 482 V HN 1.175 nan 8.190 nan 0.000 0.476 483 K N 4.165 124.480 120.400 -0.142 0.000 2.355 483 K HA 0.328 4.644 4.320 -0.007 0.000 0.270 483 K C 1.253 177.743 176.600 -0.184 0.000 1.003 483 K CA 0.300 56.510 56.287 -0.128 0.000 0.957 483 K CB 0.052 32.506 32.500 -0.077 0.000 0.939 483 K HN 1.113 nan 8.250 nan 0.000 0.482 484 R N 0.569 120.981 120.500 -0.147 0.000 2.120 484 R HA -0.078 4.257 4.340 -0.007 0.000 0.234 484 R C 2.075 178.302 176.300 -0.121 0.000 1.123 484 R CA 1.759 57.764 56.100 -0.158 0.000 0.975 484 R CB -0.478 29.765 30.300 -0.094 0.000 0.866 484 R HN 0.597 nan 8.270 nan 0.000 0.446 485 A N 1.063 123.847 122.820 -0.060 0.000 1.968 485 A HA -0.093 4.222 4.320 -0.007 0.000 0.217 485 A C 1.773 179.335 177.584 -0.036 0.000 1.169 485 A CA 1.308 53.345 52.037 0.001 0.000 0.638 485 A CB -0.145 18.896 19.000 0.069 0.000 0.812 485 A HN 0.358 nan 8.150 nan 0.000 0.446 486 E N -0.031 120.114 120.200 -0.093 0.000 2.158 486 E HA 0.007 4.353 4.350 -0.007 0.000 0.191 486 E C 1.763 178.251 176.600 -0.186 0.000 0.982 486 E CA 0.680 57.018 56.400 -0.104 0.000 0.823 486 E CB -0.236 29.396 29.700 -0.114 0.000 0.766 486 E HN 0.689 nan 8.360 nan 0.000 0.468 487 I N 0.014 120.361 120.570 -0.371 0.000 2.252 487 I HA -0.240 3.925 4.170 -0.007 0.000 0.245 487 I C 2.032 178.006 176.117 -0.239 0.000 1.102 487 I CA 0.785 61.703 61.300 -0.636 0.000 1.385 487 I CB -0.231 37.197 38.000 -0.955 0.000 1.064 487 I HN 0.020 nan 8.210 nan 0.000 0.414 488 S N 1.133 116.756 115.700 -0.128 0.000 2.359 488 S HA -0.155 4.311 4.470 -0.007 0.000 0.224 488 S C 1.756 176.384 174.600 0.046 0.000 1.035 488 S CA 1.436 59.628 58.200 -0.013 0.000 1.018 488 S CB -0.381 62.831 63.200 0.020 0.000 0.876 488 S HN 0.459 nan 8.310 nan 0.000 0.448 489 N N 1.884 120.608 118.700 0.040 0.000 2.244 489 N HA 0.019 4.755 4.740 -0.007 0.000 0.183 489 N C 1.772 177.385 175.510 0.173 0.000 1.016 489 N CA 1.147 54.244 53.050 0.078 0.000 0.866 489 N CB -0.542 37.974 38.487 0.049 0.000 0.980 489 N HN 0.423 nan 8.380 nan 0.000 0.430 490 A N 1.074 124.019 122.820 0.209 0.000 1.969 490 A HA -0.013 4.303 4.320 -0.007 0.000 0.218 490 A C 2.248 180.172 177.584 0.566 0.000 1.169 490 A CA 0.765 53.075 52.037 0.455 0.000 0.635 490 A CB -0.426 18.773 19.000 0.333 0.000 0.810 490 A HN 0.194 nan 8.150 nan 0.000 0.445 491 I N -0.437 120.348 120.570 0.357 0.000 2.480 491 I HA -0.127 4.038 4.170 -0.007 0.000 0.251 491 I C 1.493 177.775 176.117 0.274 0.000 1.124 491 I CA 0.946 62.453 61.300 0.345 0.000 1.444 491 I CB -0.383 37.748 38.000 0.219 0.000 1.098 491 I HN 0.221 nan 8.210 nan 0.000 0.428 492 D N 0.906 121.411 120.400 0.174 0.000 2.144 492 D HA -0.174 4.462 4.640 -0.007 0.000 0.200 492 D C 2.150 178.467 176.300 0.029 0.000 0.978 492 D CA 1.177 55.224 54.000 0.078 0.000 0.833 492 D CB -0.217 40.611 40.800 0.047 0.000 0.961 492 D HN 0.467 nan 8.370 nan 0.000 0.470 493 Q N -0.581 119.279 119.800 0.101 0.000 2.172 493 Q HA -0.148 4.188 4.340 -0.007 0.000 0.200 493 Q C 1.965 177.967 176.000 0.003 0.000 0.964 493 Q CA 0.700 56.520 55.803 0.028 0.000 0.855 493 Q CB -0.151 28.628 28.738 0.067 0.000 0.918 493 Q HN 0.357 nan 8.270 nan 0.000 0.444 494 Y N 1.281 121.592 120.300 0.018 0.000 2.163 494 Y HA -0.211 4.336 4.550 -0.005 0.000 0.288 494 Y C 2.128 177.986 175.900 -0.070 0.000 1.136 494 Y CA 1.523 59.608 58.100 -0.024 0.000 1.147 494 Y CB -0.199 38.393 38.460 0.220 0.000 0.987 494 Y HN 0.017 nan 8.280 nan 0.000 0.509 495 V N -1.917 117.951 119.914 -0.076 0.000 2.871 495 V HA -0.059 4.057 4.120 -0.007 0.000 0.256 495 V C 1.766 177.753 176.094 -0.178 0.000 1.082 495 V CA 2.018 64.222 62.300 -0.159 0.000 1.105 495 V CB -1.310 30.537 31.823 0.039 0.000 0.713 495 V HN 0.576 nan 8.190 nan 0.000 0.473 496 T N -3.047 111.322 114.554 -0.308 0.000 3.086 496 T HA 0.396 4.741 4.350 -0.007 0.000 0.250 496 T C 1.582 176.151 174.700 -0.219 0.000 1.074 496 T CA 0.624 62.445 62.100 -0.465 0.000 0.988 496 T CB 0.000 68.447 68.868 -0.703 0.000 0.988 496 T HN 1.681 nan 8.240 nan 0.000 0.530 497 G N 2.041 110.716 108.800 -0.208 0.000 2.246 497 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.273 497 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.273 497 G C 0.452 175.258 174.900 -0.157 0.000 1.055 497 G CA 0.489 45.478 45.100 -0.186 0.000 0.851 497 G HN 1.142 nan 8.290 nan 0.000 0.500 498 T N -2.553 111.907 114.554 -0.157 0.000 3.266 498 T HA 0.516 4.862 4.350 -0.007 0.000 0.278 498 T C 1.969 176.597 174.700 -0.121 0.000 1.010 498 T CA 0.289 62.317 62.100 -0.120 0.000 0.909 498 T CB 0.023 68.833 68.868 -0.096 0.000 1.122 498 T HN 0.300 nan 8.240 nan 0.000 0.536 499 I N 1.754 122.207 120.570 -0.195 0.000 2.394 499 I HA 0.185 4.351 4.170 -0.007 0.000 0.251 499 I C 1.659 177.684 176.117 -0.152 0.000 1.136 499 I CA 1.143 62.295 61.300 -0.248 0.000 1.425 499 I CB -0.804 36.859 38.000 -0.561 0.000 1.079 499 I HN 0.721 nan 8.210 nan 0.000 0.425 500 G N 0.610 109.329 108.800 -0.135 0.000 2.690 500 G HA2 0.013 3.969 3.960 -0.007 0.000 0.686 500 G HA3 0.013 3.969 3.960 -0.007 0.000 0.686 500 G C -0.557 174.292 174.900 -0.084 0.000 1.277 500 G CA -0.338 44.711 45.100 -0.084 0.000 0.799 500 G HN 0.479 nan 8.290 nan 0.000 0.613 501 E N 0.155 120.321 120.200 -0.057 0.000 2.267 501 E HA 0.744 5.090 4.350 -0.007 0.000 0.258 501 E C 1.022 177.609 176.600 -0.023 0.000 1.074 501 E CA 0.671 57.043 56.400 -0.047 0.000 0.915 501 E CB 0.374 30.048 29.700 -0.042 0.000 1.186 501 E HN 1.522 nan 8.360 nan 0.000 0.439 502 D N -1.098 119.293 120.400 -0.015 0.000 3.955 502 D HA -0.322 4.313 4.640 -0.007 0.000 0.142 502 D C 1.657 177.965 176.300 0.014 0.000 0.877 502 D CA 2.740 56.739 54.000 -0.001 0.000 1.100 502 D CB -1.238 39.561 40.800 -0.002 0.000 0.533 502 D HN 0.971 nan 8.370 nan 0.000 0.546 503 E N 1.735 121.946 120.200 0.017 0.000 2.065 503 E HA -0.285 4.061 4.350 -0.007 0.000 0.201 503 E C 1.632 178.260 176.600 0.046 0.000 1.016 503 E CA 2.744 59.163 56.400 0.030 0.000 0.818 503 E CB -0.955 28.760 29.700 0.025 0.000 0.749 503 E HN 0.583 nan 8.360 nan 0.000 0.453 504 D N 0.034 120.457 120.400 0.038 0.000 2.154 504 D HA -0.193 4.443 4.640 -0.007 0.000 0.190 504 D C 2.090 178.446 176.300 0.093 0.000 1.003 504 D CA 1.835 55.867 54.000 0.053 0.000 0.849 504 D CB -0.461 40.350 40.800 0.018 0.000 0.942 504 D HN 0.361 nan 8.370 nan 0.000 0.446 505 L N 1.154 122.413 121.223 0.060 0.000 2.042 505 L HA -0.177 4.158 4.340 -0.007 0.000 0.210 505 L C 2.796 179.781 176.870 0.191 0.000 1.076 505 L CA 1.763 56.660 54.840 0.095 0.000 0.749 505 L CB -0.906 41.166 42.059 0.021 0.000 0.893 505 L HN 0.138 nan 8.230 nan 0.000 0.432 506 I N -0.835 119.811 120.570 0.128 0.000 2.151 506 I HA -0.312 3.854 4.170 -0.007 0.000 0.243 506 I C 2.798 179.006 176.117 0.151 0.000 1.080 506 I CA 3.208 64.580 61.300 0.121 0.000 1.339 506 I CB -2.169 35.876 38.000 0.075 0.000 1.039 506 I HN 0.453 nan 8.210 nan 0.000 0.409 507 K N -0.995 119.497 120.400 0.153 0.000 2.097 507 K HA -0.244 4.072 4.320 -0.007 0.000 0.206 507 K C 2.001 178.731 176.600 0.218 0.000 1.049 507 K CA 1.731 58.108 56.287 0.149 0.000 0.933 507 K CB -1.610 30.966 32.500 0.127 0.000 0.717 507 K HN 0.918 nan 8.250 nan 0.000 0.442 508 W N 1.424 122.788 121.300 0.106 0.000 2.352 508 W HA -0.219 4.440 4.660 -0.002 0.000 0.322 508 W C 2.814 179.502 176.519 0.281 0.000 1.208 508 W CA 3.517 60.976 57.345 0.190 0.000 1.286 508 W CB -0.286 29.267 29.460 0.153 0.000 1.167 508 W HN 0.320 nan 8.180 nan 0.000 0.469 509 K N 0.288 120.930 120.400 0.404 0.000 2.281 509 K HA 0.091 4.407 4.320 -0.007 0.000 0.203 509 K C 1.457 178.119 176.600 0.103 0.000 1.046 509 K CA 1.574 57.958 56.287 0.161 0.000 0.938 509 K CB -1.551 31.064 32.500 0.192 0.000 0.737 509 K HN 0.438 nan 8.250 nan 0.000 0.458 510 A N 0.093 122.971 122.820 0.098 0.000 2.648 510 A HA 0.553 4.869 4.320 -0.007 0.000 0.269 510 A C 1.327 178.905 177.584 -0.011 0.000 1.392 510 A CA 0.063 52.125 52.037 0.042 0.000 1.019 510 A CB -0.394 18.635 19.000 0.048 0.000 1.009 510 A HN 0.414 nan 8.150 nan 0.000 0.565 511 L N -2.422 118.759 121.223 -0.070 0.000 2.953 511 L HA 0.355 4.690 4.340 -0.007 0.000 0.258 511 L C -0.446 176.174 176.870 -0.416 0.000 1.100 511 L CA -0.143 54.561 54.840 -0.226 0.000 0.971 511 L CB 0.167 42.017 42.059 -0.348 0.000 1.474 511 L HN 0.319 nan 8.230 nan 0.000 0.540 512 F N 1.142 120.835 119.950 -0.429 0.000 2.394 512 F HA 0.415 4.939 4.527 -0.004 0.000 0.340 512 F C 1.626 177.244 175.800 -0.304 0.000 1.105 512 F CA -0.085 57.592 58.000 -0.539 0.000 1.124 512 F CB 0.596 39.169 39.000 -0.712 0.000 1.145 512 F HN -0.043 nan 8.300 nan 0.000 0.505 513 E N 1.635 121.777 120.200 -0.096 0.000 2.047 513 E HA 0.049 4.394 4.350 -0.007 0.000 0.191 513 E C 0.835 177.400 176.600 -0.057 0.000 0.987 513 E CA 1.511 57.873 56.400 -0.064 0.000 0.799 513 E CB -0.860 28.803 29.700 -0.062 0.000 0.752 513 E HN 0.694 nan 8.360 nan 0.000 0.449 514 E N 0.197 120.352 120.200 -0.075 0.000 2.114 514 E HA 0.566 4.911 4.350 -0.007 0.000 0.266 514 E C -0.501 176.010 176.600 -0.148 0.000 0.896 514 E CA -0.378 55.968 56.400 -0.091 0.000 0.750 514 E CB 1.168 30.814 29.700 -0.090 0.000 1.121 514 E HN 0.405 nan 8.360 nan 0.000 0.413 515 V N 5.644 125.458 119.914 -0.167 0.000 2.479 515 V HA 0.249 4.364 4.120 -0.007 0.000 0.281 515 V C -1.331 174.569 176.094 -0.322 0.000 1.031 515 V CA -0.928 61.185 62.300 -0.313 0.000 1.038 515 V CB 0.666 32.379 31.823 -0.183 0.000 0.981 515 V HN 0.827 nan 8.190 nan 0.000 0.478 516 P HA 0.313 nan 4.420 nan 0.000 0.274 516 P C -0.616 176.615 177.300 -0.115 0.000 1.246 516 P CA -0.561 62.337 63.100 -0.338 0.000 0.795 516 P CB 1.109 32.471 31.700 -0.563 0.000 1.006 517 E N 0.819 121.000 120.200 -0.032 0.000 2.191 517 E HA 0.329 4.674 4.350 -0.007 0.000 0.278 517 E C -0.173 176.499 176.600 0.120 0.000 0.972 517 E CA -0.914 55.502 56.400 0.027 0.000 0.804 517 E CB 1.257 30.951 29.700 -0.010 0.000 1.110 517 E HN 0.368 nan 8.360 nan 0.000 0.394 518 L N 3.316 124.583 121.223 0.073 0.000 2.490 518 L HA 0.079 4.414 4.340 -0.007 0.000 0.274 518 L C 0.418 177.210 176.870 -0.131 0.000 1.201 518 L CA -0.047 54.778 54.840 -0.025 0.000 0.869 518 L CB -0.231 41.738 42.059 -0.150 0.000 1.123 518 L HN 0.357 nan 8.230 nan 0.000 0.484 519 L N 2.513 123.561 121.223 -0.292 0.000 2.439 519 L HA 0.206 4.541 4.340 -0.007 0.000 0.269 519 L C 0.971 177.726 176.870 -0.192 0.000 1.179 519 L CA -0.373 54.310 54.840 -0.262 0.000 0.828 519 L CB 0.821 42.636 42.059 -0.406 0.000 1.106 519 L HN 0.717 nan 8.230 nan 0.000 0.467 520 T N -2.196 112.288 114.554 -0.115 0.000 2.847 520 T HA 0.143 4.488 4.350 -0.007 0.000 0.279 520 T C 0.939 175.603 174.700 -0.059 0.000 0.984 520 T CA -0.821 61.233 62.100 -0.078 0.000 0.988 520 T CB 1.386 70.228 68.868 -0.043 0.000 1.040 520 T HN 0.490 nan 8.240 nan 0.000 0.528 521 E N 0.446 120.622 120.200 -0.039 0.000 2.153 521 E HA -0.067 4.279 4.350 -0.007 0.000 0.194 521 E C 2.335 178.942 176.600 0.011 0.000 0.988 521 E CA 1.412 57.803 56.400 -0.015 0.000 0.811 521 E CB -0.848 28.845 29.700 -0.012 0.000 0.746 521 E HN 0.803 nan 8.360 nan 0.000 0.466 522 A N 1.164 123.991 122.820 0.012 0.000 1.897 522 A HA -0.172 4.143 4.320 -0.007 0.000 0.215 522 A C 2.063 179.683 177.584 0.060 0.000 1.181 522 A CA 1.306 53.362 52.037 0.032 0.000 0.620 522 A CB -0.353 18.662 19.000 0.024 0.000 0.821 522 A HN 0.190 nan 8.150 nan 0.000 0.443 523 E N 0.058 120.287 120.200 0.048 0.000 2.031 523 E HA -0.211 4.135 4.350 -0.007 0.000 0.193 523 E C 2.073 178.761 176.600 0.148 0.000 0.994 523 E CA 1.505 57.956 56.400 0.086 0.000 0.800 523 E CB -0.182 29.529 29.700 0.018 0.000 0.752 523 E HN 0.571 nan 8.360 nan 0.000 0.447 524 K N 0.562 121.012 120.400 0.084 0.000 2.032 524 K HA -0.205 4.111 4.320 -0.007 0.000 0.209 524 K C 2.536 179.267 176.600 0.219 0.000 1.048 524 K CA 1.943 58.318 56.287 0.146 0.000 0.927 524 K CB -0.271 32.269 32.500 0.067 0.000 0.712 524 K HN 0.030 nan 8.250 nan 0.000 0.441 525 K N 1.196 121.680 120.400 0.141 0.000 2.057 525 K HA -0.160 4.155 4.320 -0.007 0.000 0.207 525 K C 2.257 178.947 176.600 0.152 0.000 1.049 525 K CA 2.030 58.391 56.287 0.123 0.000 0.931 525 K CB -1.518 31.024 32.500 0.071 0.000 0.714 525 K HN 0.475 nan 8.250 nan 0.000 0.440 526 E N -0.084 120.218 120.200 0.170 0.000 2.110 526 E HA -0.181 4.164 4.350 -0.007 0.000 0.193 526 E C 1.890 178.645 176.600 0.259 0.000 0.988 526 E CA 1.372 57.878 56.400 0.177 0.000 0.804 526 E CB -0.988 28.815 29.700 0.171 0.000 0.745 526 E HN 0.784 nan 8.360 nan 0.000 0.458 527 W N 0.487 121.878 121.300 0.151 0.000 2.381 527 W HA -0.146 4.511 4.660 -0.006 0.000 0.301 527 W C 1.960 178.695 176.519 0.360 0.000 1.205 527 W CA 1.660 59.132 57.345 0.212 0.000 1.285 527 W CB -0.037 29.553 29.460 0.217 0.000 1.133 527 W HN 0.241 nan 8.180 nan 0.000 0.521 528 V N 1.298 121.412 119.914 0.332 0.000 2.594 528 V HA -0.275 3.840 4.120 -0.007 0.000 0.253 528 V C 1.963 178.065 176.094 0.013 0.000 1.069 528 V CA 2.008 64.442 62.300 0.223 0.000 1.082 528 V CB -0.813 31.121 31.823 0.184 0.000 0.680 528 V HN 0.168 nan 8.190 nan 0.000 0.469 529 E N -0.174 120.040 120.200 0.023 0.000 2.268 529 E HA -0.171 4.175 4.350 -0.007 0.000 0.195 529 E C 2.086 178.621 176.600 -0.109 0.000 0.995 529 E CA 0.673 57.050 56.400 -0.037 0.000 0.836 529 E CB -0.042 29.660 29.700 0.002 0.000 0.763 529 E HN 0.595 nan 8.360 nan 0.000 0.491 530 K N 0.438 120.753 120.400 -0.141 0.000 2.366 530 K HA -0.019 4.297 4.320 -0.007 0.000 0.198 530 K C 0.601 176.974 176.600 -0.380 0.000 1.044 530 K CA -0.040 56.119 56.287 -0.213 0.000 0.973 530 K CB 0.031 32.357 32.500 -0.290 0.000 0.767 530 K HN 0.025 nan 8.250 nan 0.000 0.475 531 L N 2.340 123.187 121.223 -0.626 0.000 2.462 531 L HA 0.015 4.351 4.340 -0.007 0.000 0.272 531 L C 0.057 176.594 176.870 -0.555 0.000 1.166 531 L CA 0.877 55.073 54.840 -1.074 0.000 0.880 531 L CB 0.430 41.755 42.059 -1.224 0.000 1.142 531 L HN 0.152 nan 8.230 nan 0.000 0.473 532 T N 0.646 114.910 114.554 -0.483 0.000 2.841 532 T HA 0.485 4.830 4.350 -0.007 0.000 0.296 532 T C -0.185 174.390 174.700 -0.208 0.000 1.166 532 T CA -0.496 61.434 62.100 -0.282 0.000 1.007 532 T CB 1.314 70.058 68.868 -0.207 0.000 1.253 532 T HN 0.630 nan 8.240 nan 0.000 0.511 533 E N -0.540 119.565 120.200 -0.158 0.000 2.389 533 E HA -0.122 4.224 4.350 -0.007 0.000 0.243 533 E C -0.532 176.070 176.600 0.004 0.000 1.154 533 E CA 0.181 56.548 56.400 -0.055 0.000 0.723 533 E CB -1.593 28.133 29.700 0.043 0.000 1.261 533 E HN 0.522 nan 8.360 nan 0.000 0.390 534 V N 0.744 120.615 119.914 -0.072 0.000 2.644 534 V HA 0.319 4.435 4.120 -0.007 0.000 0.295 534 V C 0.662 176.769 176.094 0.022 0.000 1.053 534 V CA -0.278 62.012 62.300 -0.018 0.000 0.987 534 V CB 1.995 33.810 31.823 -0.012 0.000 1.006 534 V HN 0.139 nan 8.190 nan 0.000 0.472 535 S N 3.643 119.371 115.700 0.046 0.000 2.578 535 S HA 0.784 5.250 4.470 -0.007 0.000 0.301 535 S C -0.610 173.943 174.600 -0.077 0.000 1.091 535 S CA -0.477 57.749 58.200 0.043 0.000 1.032 535 S CB 1.488 64.705 63.200 0.029 0.000 1.064 535 S HN 0.508 nan 8.310 nan 0.000 0.508 536 I N 1.108 121.616 120.570 -0.104 0.000 2.802 536 I HA 0.491 4.656 4.170 -0.007 0.000 0.298 536 I C -0.649 175.429 176.117 -0.064 0.000 1.176 536 I CA -0.403 60.788 61.300 -0.182 0.000 1.025 536 I CB 2.406 40.198 38.000 -0.347 0.000 1.243 536 I HN 0.511 nan 8.210 nan 0.000 0.424 537 S N 2.730 118.403 115.700 -0.045 0.000 2.538 537 S HA 0.624 5.089 4.470 -0.007 0.000 0.288 537 S C -1.168 173.415 174.600 -0.029 0.000 1.108 537 S CA -0.378 57.817 58.200 -0.008 0.000 0.971 537 S CB 1.828 65.046 63.200 0.030 0.000 1.041 537 S HN 0.604 nan 8.310 nan 0.000 0.483 538 S N 1.795 117.427 115.700 -0.114 0.000 2.500 538 S HA 0.368 4.833 4.470 -0.007 0.000 0.301 538 S C 0.432 174.937 174.600 -0.158 0.000 1.092 538 S CA -0.634 57.466 58.200 -0.167 0.000 1.030 538 S CB 1.164 64.052 63.200 -0.519 0.000 1.031 538 S HN 0.849 nan 8.310 nan 0.000 0.483 539 D N 3.000 123.352 120.400 -0.080 0.000 2.371 539 D HA 0.224 4.860 4.640 -0.007 0.000 0.221 539 D C 0.433 176.604 176.300 -0.216 0.000 0.986 539 D CA 0.501 54.450 54.000 -0.086 0.000 0.899 539 D CB -0.015 40.808 40.800 0.038 0.000 0.902 539 D HN 0.548 nan 8.370 nan 0.000 0.530 540 A N -0.462 122.209 122.820 -0.249 0.000 2.594 540 A HA 0.558 4.874 4.320 -0.007 0.000 0.291 540 A C -0.607 176.737 177.584 -0.400 0.000 1.105 540 A CA -1.101 50.695 52.037 -0.402 0.000 0.694 540 A CB 0.529 19.271 19.000 -0.430 0.000 1.291 540 A HN 0.155 nan 8.150 nan 0.000 0.410 541 F N -0.441 119.370 119.950 -0.233 0.000 2.589 541 F HA 0.567 5.090 4.527 -0.007 0.000 0.352 541 F C -0.701 175.023 175.800 -0.128 0.000 1.168 541 F CA -0.714 57.156 58.000 -0.216 0.000 1.353 541 F CB -0.292 38.612 39.000 -0.159 0.000 1.116 541 F HN 0.257 nan 8.300 nan 0.000 0.608 542 F N 3.328 123.476 119.950 0.329 0.000 2.420 542 F HA 0.351 4.874 4.527 -0.008 0.000 0.352 542 F C -1.470 174.491 175.800 0.269 0.000 1.108 542 F CA -2.317 55.810 58.000 0.213 0.000 1.162 542 F CB 0.699 39.792 39.000 0.155 0.000 1.118 542 F HN 0.315 nan 8.300 nan 0.000 0.510 543 P HA -0.049 nan 4.420 nan 0.000 0.214 543 P C -0.317 176.777 177.300 -0.343 0.000 1.162 543 P CA 1.484 64.531 63.100 -0.088 0.000 0.874 543 P CB 0.321 31.824 31.700 -0.328 0.000 0.784 544 F N -2.254 117.804 119.950 0.181 0.000 2.618 544 F HA 0.368 4.891 4.527 -0.008 0.000 0.332 544 F C 1.793 177.618 175.800 0.042 0.000 1.061 544 F CA -1.190 56.868 58.000 0.097 0.000 0.974 544 F CB 1.077 40.116 39.000 0.065 0.000 1.310 544 F HN -0.372 nan 8.300 nan 0.000 0.491 545 R N -0.328 120.318 120.500 0.244 0.000 2.339 545 R HA -0.058 4.277 4.340 -0.007 0.000 0.199 545 R C 0.651 176.955 176.300 0.006 0.000 1.018 545 R CA 1.240 57.387 56.100 0.080 0.000 1.036 545 R CB -0.736 29.601 30.300 0.061 0.000 0.899 545 R HN 0.636 nan 8.270 nan 0.000 0.473 546 D N 1.158 121.590 120.400 0.053 0.000 2.182 546 D HA -0.222 4.413 4.640 -0.007 0.000 0.201 546 D C 1.006 177.257 176.300 -0.080 0.000 0.986 546 D CA 1.111 55.115 54.000 0.006 0.000 0.847 546 D CB -0.517 40.321 40.800 0.063 0.000 0.942 546 D HN 0.267 nan 8.370 nan 0.000 0.467 547 N N 0.547 119.128 118.700 -0.198 0.000 2.084 547 N HA -0.098 4.638 4.740 -0.007 0.000 0.190 547 N C 2.095 177.357 175.510 -0.414 0.000 1.030 547 N CA 1.218 54.001 53.050 -0.445 0.000 0.849 547 N CB -0.198 37.590 38.487 -1.165 0.000 1.012 547 N HN 0.177 nan 8.380 nan 0.000 0.423 548 V N 2.225 121.924 119.914 -0.358 0.000 2.407 548 V HA -0.190 3.925 4.120 -0.007 0.000 0.248 548 V C 1.884 177.903 176.094 -0.125 0.000 1.055 548 V CA 1.570 63.744 62.300 -0.210 0.000 1.049 548 V CB -0.458 31.295 31.823 -0.116 0.000 0.662 548 V HN 0.205 nan 8.190 nan 0.000 0.455 549 D N -0.066 120.277 120.400 -0.096 0.000 2.097 549 D HA -0.182 4.453 4.640 -0.007 0.000 0.195 549 D C 2.348 178.619 176.300 -0.049 0.000 0.989 549 D CA 1.442 55.407 54.000 -0.059 0.000 0.827 549 D CB -0.136 40.639 40.800 -0.041 0.000 0.966 549 D HN 0.257 nan 8.370 nan 0.000 0.456 550 R N 1.432 121.903 120.500 -0.049 0.000 2.096 550 R HA -0.049 4.286 4.340 -0.007 0.000 0.235 550 R C 2.006 178.322 176.300 0.026 0.000 1.127 550 R CA 1.708 57.801 56.100 -0.011 0.000 0.968 550 R CB -0.750 29.552 30.300 0.003 0.000 0.861 550 R HN 0.059 nan 8.270 nan 0.000 0.440 551 A N 0.710 123.527 122.820 -0.005 0.000 1.883 551 A HA -0.203 4.113 4.320 -0.007 0.000 0.217 551 A C 2.090 179.680 177.584 0.009 0.000 1.186 551 A CA 1.983 54.031 52.037 0.019 0.000 0.624 551 A CB -0.621 18.307 19.000 -0.120 0.000 0.822 551 A HN 0.353 nan 8.150 nan 0.000 0.444 552 K N 0.820 121.195 120.400 -0.042 0.000 2.103 552 K HA -0.183 4.132 4.320 -0.007 0.000 0.207 552 K C 1.917 178.489 176.600 -0.047 0.000 1.048 552 K CA 1.866 58.117 56.287 -0.059 0.000 0.930 552 K CB -0.340 32.121 32.500 -0.066 0.000 0.716 552 K HN 0.643 nan 8.250 nan 0.000 0.444 553 R N -0.868 119.617 120.500 -0.025 0.000 2.339 553 R HA 0.127 4.462 4.340 -0.007 0.000 0.199 553 R C 0.496 176.780 176.300 -0.026 0.000 1.018 553 R CA 0.969 57.053 56.100 -0.027 0.000 1.036 553 R CB 0.055 30.344 30.300 -0.019 0.000 0.899 553 R HN -0.081 nan 8.270 nan 0.000 0.473 554 S N -0.090 115.608 115.700 -0.004 0.000 2.741 554 S HA 0.300 4.766 4.470 -0.007 0.000 0.247 554 S C 0.738 175.312 174.600 -0.044 0.000 1.050 554 S CA 0.021 58.216 58.200 -0.008 0.000 1.025 554 S CB 1.374 64.607 63.200 0.055 0.000 0.897 554 S HN 0.695 nan 8.310 nan 0.000 0.508 555 G N 0.984 109.724 108.800 -0.099 0.000 2.176 555 G HA2 -0.258 3.698 3.960 -0.007 0.000 0.253 555 G HA3 -0.258 3.698 3.960 -0.007 0.000 0.253 555 G C 0.165 174.977 174.900 -0.146 0.000 0.979 555 G CA 0.059 45.062 45.100 -0.160 0.000 0.641 555 G HN 0.468 nan 8.290 nan 0.000 0.530 556 V N 0.605 120.459 119.914 -0.100 0.000 2.585 556 V HA 0.483 4.599 4.120 -0.007 0.000 0.296 556 V C 1.283 177.225 176.094 -0.253 0.000 1.035 556 V CA 1.276 63.486 62.300 -0.149 0.000 1.084 556 V CB 1.272 33.018 31.823 -0.128 0.000 0.953 556 V HN 1.103 nan 8.190 nan 0.000 0.483 557 A N 4.463 127.016 122.820 -0.445 0.000 2.498 557 A HA 0.463 4.778 4.320 -0.007 0.000 0.238 557 A C 0.046 177.112 177.584 -0.862 0.000 1.225 557 A CA 0.042 51.651 52.037 -0.713 0.000 0.978 557 A CB 0.472 18.875 19.000 -0.994 0.000 1.142 557 A HN 0.720 nan 8.150 nan 0.000 0.552 558 Y N -0.722 119.533 120.300 -0.076 0.000 2.457 558 Y HA 0.734 5.279 4.550 -0.008 0.000 0.343 558 Y C -0.479 175.375 175.900 -0.076 0.000 0.994 558 Y CA -0.979 57.075 58.100 -0.076 0.000 1.031 558 Y CB 1.557 39.959 38.460 -0.095 0.000 1.246 558 Y HN -0.009 nan 8.280 nan 0.000 0.449 559 I N 2.341 122.965 120.570 0.091 0.000 2.686 559 I HA 0.812 4.977 4.170 -0.007 0.000 0.295 559 I C -0.891 175.276 176.117 0.083 0.000 1.114 559 I CA -1.124 60.218 61.300 0.070 0.000 1.038 559 I CB 2.318 40.379 38.000 0.102 0.000 1.238 559 I HN 0.757 nan 8.210 nan 0.000 0.420 560 A N 4.491 127.362 122.820 0.085 0.000 2.356 560 A HA 0.995 5.311 4.320 -0.007 0.000 0.310 560 A C -0.900 176.711 177.584 0.046 0.000 1.075 560 A CA -0.401 51.721 52.037 0.141 0.000 0.746 560 A CB 1.686 20.862 19.000 0.294 0.000 1.221 560 A HN 0.977 nan 8.150 nan 0.000 0.443 561 A N 2.931 125.774 122.820 0.039 0.000 2.599 561 A HA 0.821 5.137 4.320 -0.007 0.000 0.294 561 A C -3.381 174.211 177.584 0.014 0.000 1.055 561 A CA -1.169 50.813 52.037 -0.091 0.000 0.683 561 A CB 0.929 19.715 19.000 -0.357 0.000 1.278 561 A HN 0.482 nan 8.150 nan 0.000 0.412 562 P HA 0.308 nan 4.420 nan 0.000 0.272 562 P C 0.225 177.463 177.300 -0.105 0.000 1.223 562 P CA 0.099 63.153 63.100 -0.077 0.000 0.784 562 P CB 1.028 32.661 31.700 -0.112 0.000 0.923 563 S N 0.788 116.301 115.700 -0.312 0.000 2.713 563 S HA 0.681 5.146 4.470 -0.007 0.000 0.277 563 S C 0.967 175.375 174.600 -0.320 0.000 1.168 563 S CA 0.215 58.033 58.200 -0.637 0.000 0.994 563 S CB 0.684 63.415 63.200 -0.780 0.000 1.054 563 S HN 0.782 nan 8.310 nan 0.000 0.555 564 G N -0.602 107.929 108.800 -0.448 0.000 2.485 564 G HA2 -0.090 3.865 3.960 -0.007 0.000 0.181 564 G HA3 -0.090 3.865 3.960 -0.007 0.000 0.181 564 G C 0.105 174.411 174.900 -0.990 0.000 0.999 564 G CA 0.101 44.887 45.100 -0.524 0.000 0.721 564 G HN 1.157 nan 8.290 nan 0.000 0.486 565 S N 0.347 115.375 115.700 -1.121 0.000 2.601 565 S HA 0.667 5.133 4.470 -0.007 0.000 0.271 565 S C 1.770 176.111 174.600 -0.432 0.000 1.305 565 S CA 0.843 58.447 58.200 -0.993 0.000 1.022 565 S CB 1.379 64.228 63.200 -0.585 0.000 0.940 565 S HN 1.467 nan 8.310 nan 0.000 0.525 566 A N 3.123 125.768 122.820 -0.292 0.000 2.119 566 A HA 0.303 4.619 4.320 -0.007 0.000 0.217 566 A C 1.760 179.309 177.584 -0.057 0.000 1.153 566 A CA 1.212 53.169 52.037 -0.135 0.000 0.692 566 A CB -0.720 18.238 19.000 -0.070 0.000 0.799 566 A HN 1.165 nan 8.150 nan 0.000 0.458 567 A N -0.656 122.138 122.820 -0.043 0.000 2.460 567 A HA 0.258 4.574 4.320 -0.007 0.000 0.258 567 A C 1.019 178.639 177.584 0.060 0.000 1.300 567 A CA 0.412 52.485 52.037 0.060 0.000 0.913 567 A CB -0.266 18.843 19.000 0.182 0.000 1.031 567 A HN 0.303 nan 8.150 nan 0.000 0.512 568 D N 1.230 121.632 120.400 0.004 0.000 2.133 568 D HA -0.207 4.429 4.640 -0.007 0.000 0.192 568 D C 2.361 178.729 176.300 0.114 0.000 1.001 568 D CA 2.338 56.382 54.000 0.073 0.000 0.844 568 D CB -0.110 40.685 40.800 -0.008 0.000 0.944 568 D HN 0.559 nan 8.370 nan 0.000 0.447 569 K N 0.698 121.138 120.400 0.065 0.000 2.063 569 K HA -0.097 4.219 4.320 -0.007 0.000 0.208 569 K C 2.320 178.958 176.600 0.063 0.000 1.048 569 K CA 1.494 57.816 56.287 0.059 0.000 0.928 569 K CB -1.155 31.366 32.500 0.036 0.000 0.713 569 K HN 0.189 nan 8.250 nan 0.000 0.442 570 V N 0.679 120.637 119.914 0.074 0.000 2.809 570 V HA -0.144 3.971 4.120 -0.007 0.000 0.256 570 V C 2.379 178.523 176.094 0.083 0.000 1.080 570 V CA 1.266 63.611 62.300 0.075 0.000 1.102 570 V CB 0.120 31.999 31.823 0.094 0.000 0.705 570 V HN 0.367 nan 8.190 nan 0.000 0.475 571 V N 0.045 120.025 119.914 0.111 0.000 2.302 571 V HA -0.163 3.953 4.120 -0.007 0.000 0.243 571 V C 2.212 178.348 176.094 0.069 0.000 1.036 571 V CA 1.867 64.239 62.300 0.119 0.000 1.020 571 V CB -0.334 31.611 31.823 0.204 0.000 0.657 571 V HN 0.393 nan 8.190 nan 0.000 0.453 572 I N 0.692 121.299 120.570 0.063 0.000 2.127 572 I HA -0.265 3.901 4.170 -0.007 0.000 0.241 572 I C 3.030 179.153 176.117 0.010 0.000 1.075 572 I CA 2.074 63.381 61.300 0.011 0.000 1.334 572 I CB -0.960 37.054 38.000 0.023 0.000 1.040 572 I HN 0.468 nan 8.210 nan 0.000 0.405 573 E N 1.315 121.528 120.200 0.023 0.000 2.086 573 E HA -0.280 4.066 4.350 -0.007 0.000 0.200 573 E C 2.300 178.904 176.600 0.006 0.000 1.012 573 E CA 1.917 58.325 56.400 0.014 0.000 0.812 573 E CB -1.093 28.618 29.700 0.019 0.000 0.743 573 E HN 0.637 nan 8.360 nan 0.000 0.453 574 A N -0.191 122.636 122.820 0.012 0.000 1.940 574 A HA -0.104 4.212 4.320 -0.007 0.000 0.219 574 A C 2.653 180.229 177.584 -0.014 0.000 1.176 574 A CA 1.700 53.737 52.037 0.001 0.000 0.631 574 A CB -0.957 18.048 19.000 0.008 0.000 0.814 574 A HN 0.662 nan 8.150 nan 0.000 0.446 575 C N -0.661 118.632 119.300 -0.013 0.000 2.476 575 C HA -0.059 4.397 4.460 -0.007 0.000 0.278 575 C C 2.364 177.338 174.990 -0.028 0.000 1.274 575 C CA 0.887 59.889 59.018 -0.027 0.000 1.713 575 C CB -1.077 26.645 27.740 -0.029 0.000 2.039 575 C HN 0.602 nan 8.230 nan 0.000 0.484 576 D N 0.438 120.827 120.400 -0.019 0.000 2.149 576 D HA -0.166 4.469 4.640 -0.007 0.000 0.198 576 D C 2.088 178.377 176.300 -0.019 0.000 0.990 576 D CA 1.304 55.294 54.000 -0.016 0.000 0.839 576 D CB -0.488 40.307 40.800 -0.009 0.000 0.948 576 D HN 0.673 nan 8.370 nan 0.000 0.460 577 E N 0.480 120.669 120.200 -0.018 0.000 2.028 577 E HA -0.116 4.229 4.350 -0.007 0.000 0.191 577 E C 2.159 178.741 176.600 -0.029 0.000 0.988 577 E CA 0.543 56.931 56.400 -0.020 0.000 0.799 577 E CB -0.057 29.633 29.700 -0.016 0.000 0.755 577 E HN 0.217 nan 8.360 nan 0.000 0.447 578 L N -0.378 120.824 121.223 -0.037 0.000 2.552 578 L HA 0.102 4.437 4.340 -0.007 0.000 0.227 578 L C 1.427 178.260 176.870 -0.061 0.000 1.146 578 L CA 0.556 55.367 54.840 -0.049 0.000 0.858 578 L CB -0.073 41.952 42.059 -0.056 0.000 0.969 578 L HN 0.530 nan 8.230 nan 0.000 0.451 579 G N 0.875 109.643 108.800 -0.055 0.000 2.137 579 G HA2 -0.262 3.694 3.960 -0.007 0.000 0.237 579 G HA3 -0.262 3.694 3.960 -0.007 0.000 0.237 579 G C 0.109 174.956 174.900 -0.088 0.000 1.002 579 G CA -0.196 44.867 45.100 -0.062 0.000 0.702 579 G HN 0.287 nan 8.290 nan 0.000 0.515 580 I N 0.551 121.069 120.570 -0.087 0.000 2.488 580 I HA 0.500 4.666 4.170 -0.007 0.000 0.299 580 I C 0.819 176.906 176.117 -0.050 0.000 0.984 580 I CA -1.062 60.172 61.300 -0.110 0.000 1.250 580 I CB 1.406 39.343 38.000 -0.106 0.000 1.389 580 I HN -0.035 nan 8.210 nan 0.000 0.488 581 I N 5.753 126.318 120.570 -0.009 0.000 2.385 581 I HA 0.302 4.468 4.170 -0.007 0.000 0.294 581 I C -0.676 175.466 176.117 0.043 0.000 0.988 581 I CA -0.580 60.750 61.300 0.051 0.000 1.265 581 I CB 1.650 39.739 38.000 0.148 0.000 1.388 581 I HN 0.313 nan 8.210 nan 0.000 0.480 582 L N 6.534 127.758 121.223 0.001 0.000 2.356 582 L HA 0.757 5.093 4.340 -0.007 0.000 0.277 582 L C -0.588 176.255 176.870 -0.045 0.000 0.996 582 L CA -0.236 54.580 54.840 -0.040 0.000 0.822 582 L CB 1.601 43.575 42.059 -0.140 0.000 1.256 582 L HN 0.645 nan 8.230 nan 0.000 0.413 583 A N 3.706 126.537 122.820 0.018 0.000 2.267 583 A HA 0.574 4.889 4.320 -0.007 0.000 0.315 583 A C -1.012 176.631 177.584 0.097 0.000 1.297 583 A CA -0.470 51.616 52.037 0.081 0.000 0.865 583 A CB -0.031 19.097 19.000 0.214 0.000 1.165 583 A HN 0.741 nan 8.150 nan 0.000 0.513 584 H N 1.716 120.806 119.070 0.032 0.000 2.502 584 H HA 0.584 5.136 4.556 -0.007 0.000 0.327 584 H C 0.797 176.101 175.328 -0.040 0.000 1.099 584 H CA 0.713 56.759 56.048 -0.002 0.000 1.323 584 H CB 1.559 31.318 29.762 -0.005 0.000 1.450 584 H HN 0.800 nan 8.280 nan 0.000 0.502 585 T N -0.415 114.171 114.554 0.054 0.000 2.910 585 T HA 0.227 4.573 4.350 -0.007 0.000 0.287 585 T C 0.531 175.174 174.700 -0.095 0.000 1.050 585 T CA -1.056 61.007 62.100 -0.061 0.000 1.011 585 T CB 1.590 70.382 68.868 -0.127 0.000 1.195 585 T HN 0.416 nan 8.240 nan 0.000 0.540 586 N N -0.463 118.171 118.700 -0.111 0.000 2.338 586 N HA 0.297 5.032 4.740 -0.007 0.000 0.251 586 N C -1.154 174.284 175.510 -0.120 0.000 1.199 586 N CA -0.363 52.622 53.050 -0.108 0.000 0.879 586 N CB -0.183 38.249 38.487 -0.092 0.000 1.159 586 N HN 0.520 nan 8.380 nan 0.000 0.514 587 L N 1.065 122.204 121.223 -0.140 0.000 2.384 587 L HA 0.467 4.803 4.340 -0.007 0.000 0.261 587 L C -0.219 176.544 176.870 -0.178 0.000 1.024 587 L CA -0.529 54.220 54.840 -0.153 0.000 0.899 587 L CB 0.580 42.540 42.059 -0.164 0.000 1.243 587 L HN 0.035 nan 8.230 nan 0.000 0.449 588 R N 3.444 123.818 120.500 -0.210 0.000 2.539 588 R HA 0.452 4.788 4.340 -0.007 0.000 0.275 588 R C -0.563 175.577 176.300 -0.266 0.000 1.077 588 R CA -0.199 55.713 56.100 -0.314 0.000 1.097 588 R CB 0.578 30.611 30.300 -0.445 0.000 1.018 588 R HN 0.712 nan 8.270 nan 0.000 0.483 589 L N 5.183 126.249 121.223 -0.262 0.000 3.083 589 L HA 0.313 4.648 4.340 -0.007 0.000 0.286 589 L C -0.781 176.098 176.870 0.015 0.000 1.307 589 L CA -0.600 54.156 54.840 -0.139 0.000 0.897 589 L CB 0.139 42.118 42.059 -0.133 0.000 1.306 589 L HN 0.470 nan 8.230 nan 0.000 0.569 590 F N 0.317 120.217 119.950 -0.084 0.000 2.506 590 F HA 0.246 4.768 4.527 -0.008 0.000 0.351 590 F C 0.679 176.447 175.800 -0.053 0.000 1.136 590 F CA -0.243 57.703 58.000 -0.090 0.000 1.298 590 F CB 0.216 39.191 39.000 -0.042 0.000 1.145 590 F HN 0.173 nan 8.300 nan 0.000 0.593 591 H N 2.690 121.677 119.070 -0.137 0.000 2.966 591 H HA 0.450 5.001 4.556 -0.008 0.000 0.347 591 H C -1.251 173.857 175.328 -0.368 0.000 1.048 591 H CA -0.401 55.557 56.048 -0.150 0.000 1.295 591 H CB 0.648 30.358 29.762 -0.086 0.000 1.744 591 H HN 0.572 nan 8.280 nan 0.000 0.513 592 H N 0.000 118.951 119.070 -0.198 0.000 2.539 592 H HA 0.000 4.552 4.556 -0.007 0.000 0.296 592 H CA 0.000 55.925 56.048 -0.204 0.000 1.023 592 H CB 0.000 29.706 29.762 -0.094 0.000 1.292 592 H HN 0.000 nan 8.280 nan 0.000 0.496