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 3ndn_1_B DATA FIRST_RESID 6 DATA SEQUENCE SVRTPKALPD GVSQATVGVR GGMLRSGFEE TAEAMYLTSG YVYGSAAVAE DATA SEQUENCE KSFAGELDHY VYSRYGNPTV SVFEERLRLI EGAPAAFATA SGMAAVFTSL DATA SEQUENCE GALLGAGDRL VAARSLFGSC FVVCSEILPR WGVQTVFVDG DDLSQWERAL DATA SEQUENCE SVPTQAVFFE TPSNPMQSLV DIAAVTELAH AAGAKVVLDN VFATPLLQQG DATA SEQUENCE FPLGVDVVVY SGTXHIDGQG RVLGGAILGD REYIDGPVQK LMRHTGPAMS DATA SEQUENCE AFNAWVLLKG LETLAIRVQH SNASAQRIAE FLNGHPSVRW VRYPYLPSHP DATA SEQUENCE QYDLAKRQMS GGGTVVTFAL DCPEDVAKQR AFEVLDKMRL IDISNNLGDA DATA SEQUENCE KSLVTHPATT THRAMGPEGR AAIGLGDGVV RISVGLEDTD DLIADIDRAL DATA SEQUENCE S 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.564 174.600 -0.061 0.000 1.055 6 S CA 0.000 58.170 58.200 -0.050 0.000 1.107 6 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 7 V N 3.571 123.432 119.914 -0.088 0.000 3.608 7 V HA 0.425 4.544 4.120 -0.001 0.000 0.269 7 V C 1.459 177.517 176.094 -0.060 0.000 1.245 7 V CA 0.554 62.805 62.300 -0.081 0.000 1.138 7 V CB -0.478 31.281 31.823 -0.107 0.000 0.841 7 V HN 0.731 nan 8.190 nan 0.000 0.451 8 R N 0.535 120.981 120.500 -0.090 0.000 2.359 8 R HA 0.222 4.561 4.340 -0.001 0.000 0.231 8 R C 0.226 176.503 176.300 -0.039 0.000 0.913 8 R CA 0.098 56.160 56.100 -0.065 0.000 1.075 8 R CB 0.101 30.315 30.300 -0.143 0.000 1.087 8 R HN 0.449 nan 8.270 nan 0.000 0.515 9 T N 4.365 118.897 114.554 -0.037 0.000 2.752 9 T HA 0.141 4.490 4.350 -0.001 0.000 0.295 9 T C -1.920 172.771 174.700 -0.015 0.000 0.923 9 T CA -0.994 61.089 62.100 -0.027 0.000 1.112 9 T CB 1.012 69.864 68.868 -0.028 0.000 0.884 9 T HN 0.105 nan 8.240 nan 0.000 0.525 10 P HA 0.222 nan 4.420 nan 0.000 0.274 10 P C -0.152 177.145 177.300 -0.005 0.000 1.246 10 P CA -0.784 62.314 63.100 -0.004 0.000 0.795 10 P CB 0.789 32.485 31.700 -0.008 0.000 1.006 11 K N 0.849 121.250 120.400 0.001 0.000 2.447 11 K HA 0.263 4.582 4.320 -0.001 0.000 0.281 11 K C 0.069 176.666 176.600 -0.005 0.000 1.031 11 K CA -0.305 55.982 56.287 0.000 0.000 1.019 11 K CB 0.005 32.508 32.500 0.006 0.000 0.918 11 K HN 0.555 nan 8.250 nan 0.000 0.476 12 A N 5.239 128.055 122.820 -0.007 0.000 2.462 12 A HA 0.245 4.564 4.320 -0.001 0.000 0.243 12 A C -0.222 177.357 177.584 -0.008 0.000 1.076 12 A CA -0.220 51.811 52.037 -0.009 0.000 0.773 12 A CB 0.181 19.175 19.000 -0.009 0.000 1.010 12 A HN 0.752 nan 8.150 nan 0.000 0.493 13 L N 2.610 123.827 121.223 -0.010 0.000 2.334 13 L HA 0.431 4.770 4.340 -0.001 0.000 0.272 13 L C -1.850 175.014 176.870 -0.010 0.000 1.020 13 L CA -1.996 52.839 54.840 -0.010 0.000 0.812 13 L CB 1.202 43.254 42.059 -0.012 0.000 1.264 13 L HN 0.534 nan 8.230 nan 0.000 0.439 14 P HA 0.067 nan 4.420 nan 0.000 0.269 14 P C -1.203 176.092 177.300 -0.009 0.000 1.217 14 P CA -0.334 62.762 63.100 -0.008 0.000 0.783 14 P CB 0.323 32.020 31.700 -0.006 0.000 0.898 15 D N 0.161 120.556 120.400 -0.008 0.000 2.493 15 D HA 0.337 4.976 4.640 -0.001 0.000 0.240 15 D C 1.362 177.657 176.300 -0.008 0.000 1.142 15 D CA 1.874 55.869 54.000 -0.009 0.000 0.872 15 D CB -0.063 40.732 40.800 -0.008 0.000 1.173 15 D HN 0.659 nan 8.370 nan 0.000 0.467 16 G N 1.237 110.032 108.800 -0.009 0.000 2.159 16 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.256 16 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.256 16 G C 0.483 175.379 174.900 -0.007 0.000 0.977 16 G CA 0.200 45.296 45.100 -0.007 0.000 0.652 16 G HN 0.779 nan 8.290 nan 0.000 0.531 17 V N -0.061 119.848 119.914 -0.008 0.000 2.999 17 V HA 0.688 4.807 4.120 -0.001 0.000 0.307 17 V C 1.047 177.136 176.094 -0.009 0.000 1.084 17 V CA 0.136 62.431 62.300 -0.009 0.000 1.155 17 V CB 1.200 33.017 31.823 -0.010 0.000 0.975 17 V HN 1.531 nan 8.190 nan 0.000 0.490 18 S N 1.985 117.680 115.700 -0.008 0.000 2.681 18 S HA 0.240 4.709 4.470 -0.001 0.000 0.270 18 S C 0.962 175.555 174.600 -0.012 0.000 1.209 18 S CA 0.330 58.525 58.200 -0.008 0.000 0.988 18 S CB 1.185 64.381 63.200 -0.006 0.000 1.006 18 S HN 0.905 nan 8.310 nan 0.000 0.558 19 Q N 0.147 119.940 119.800 -0.011 0.000 2.135 19 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 19 Q C 2.233 178.221 176.000 -0.021 0.000 0.981 19 Q CA 1.775 57.568 55.803 -0.016 0.000 0.856 19 Q CB -0.744 27.986 28.738 -0.013 0.000 0.902 19 Q HN 0.907 nan 8.270 nan 0.000 0.425 20 A N -0.391 122.419 122.820 -0.017 0.000 1.898 20 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 20 A C 2.189 179.762 177.584 -0.019 0.000 1.181 20 A CA 1.763 53.790 52.037 -0.018 0.000 0.620 20 A CB -0.847 18.146 19.000 -0.013 0.000 0.819 20 A HN 0.451 nan 8.150 nan 0.000 0.442 21 T N -0.174 114.370 114.554 -0.016 0.000 2.746 21 T HA -0.127 4.222 4.350 -0.001 0.000 0.267 21 T C 1.843 176.531 174.700 -0.019 0.000 1.039 21 T CA 1.618 63.709 62.100 -0.015 0.000 1.142 21 T CB -0.443 68.418 68.868 -0.012 0.000 0.866 21 T HN 0.144 nan 8.240 nan 0.000 0.444 22 V N 1.424 121.325 119.914 -0.022 0.000 2.490 22 V HA -0.092 4.027 4.120 -0.001 0.000 0.250 22 V C 2.840 178.913 176.094 -0.035 0.000 1.061 22 V CA 1.862 64.145 62.300 -0.028 0.000 1.064 22 V CB -1.292 30.513 31.823 -0.031 0.000 0.670 22 V HN 0.609 nan 8.190 nan 0.000 0.461 23 G N -0.329 108.450 108.800 -0.036 0.000 2.432 23 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.219 23 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.219 23 G C 1.589 176.467 174.900 -0.036 0.000 1.135 23 G CA 1.235 46.311 45.100 -0.041 0.000 0.767 23 G HN 0.421 nan 8.290 nan 0.000 0.550 24 V N 0.760 120.657 119.914 -0.029 0.000 2.407 24 V HA -0.006 4.113 4.120 -0.001 0.000 0.245 24 V C 2.357 178.438 176.094 -0.020 0.000 1.041 24 V CA 2.062 64.346 62.300 -0.026 0.000 1.040 24 V CB -0.282 31.529 31.823 -0.021 0.000 0.671 24 V HN 0.592 nan 8.190 nan 0.000 0.455 25 R N 0.044 120.533 120.500 -0.017 0.000 2.549 25 R HA 0.364 4.704 4.340 -0.001 0.000 0.361 25 R C 0.899 177.193 176.300 -0.011 0.000 0.969 25 R CA 0.205 56.299 56.100 -0.010 0.000 1.158 25 R CB 0.017 30.314 30.300 -0.006 0.000 1.456 25 R HN 0.296 nan 8.270 nan 0.000 0.540 26 G N 0.361 109.150 108.800 -0.019 0.000 2.442 26 G HA2 0.390 4.349 3.960 -0.001 0.000 0.249 26 G HA3 0.390 4.349 3.960 -0.001 0.000 0.249 26 G C 0.955 175.843 174.900 -0.021 0.000 1.263 26 G CA 0.263 45.349 45.100 -0.023 0.000 0.846 26 G HN 0.402 nan 8.290 nan 0.000 0.555 27 G N 0.881 109.671 108.800 -0.017 0.000 2.157 27 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.248 27 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.248 27 G C 0.625 175.531 174.900 0.010 0.000 0.979 27 G CA 0.382 45.475 45.100 -0.012 0.000 0.650 27 G HN 0.711 nan 8.290 nan 0.000 0.529 28 M N 0.207 119.816 119.600 0.015 0.000 2.239 28 M HA 0.385 4.864 4.480 -0.001 0.000 0.348 28 M C 0.495 176.818 176.300 0.039 0.000 1.239 28 M CA 0.748 56.068 55.300 0.033 0.000 1.114 28 M CB 0.556 33.174 32.600 0.031 0.000 1.641 28 M HN 0.089 nan 8.290 nan 0.000 0.453 29 L N 4.184 125.443 121.223 0.060 0.000 2.495 29 L HA 0.401 4.740 4.340 -0.001 0.000 0.248 29 L C -0.135 176.786 176.870 0.085 0.000 1.229 29 L CA -0.316 54.560 54.840 0.061 0.000 0.942 29 L CB 0.473 42.567 42.059 0.059 0.000 1.242 29 L HN 0.653 nan 8.230 nan 0.000 0.484 30 R N 0.608 121.150 120.500 0.069 0.000 2.594 30 R HA 0.283 4.622 4.340 -0.001 0.000 0.272 30 R C 0.733 177.078 176.300 0.076 0.000 1.074 30 R CA -0.067 56.083 56.100 0.083 0.000 1.105 30 R CB 1.230 31.567 30.300 0.061 0.000 1.008 30 R HN 0.584 nan 8.270 nan 0.000 0.472 31 S N 0.572 116.337 115.700 0.109 0.000 2.661 31 S HA 0.177 4.646 4.470 -0.001 0.000 0.265 31 S C 1.420 176.007 174.600 -0.023 0.000 1.225 31 S CA -0.375 57.863 58.200 0.063 0.000 0.986 31 S CB 1.321 64.615 63.200 0.157 0.000 1.008 31 S HN 0.699 nan 8.310 nan 0.000 0.565 32 G N -0.418 108.280 108.800 -0.170 0.000 2.498 32 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.219 32 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.219 32 G C 0.676 175.444 174.900 -0.219 0.000 1.119 32 G CA 0.306 45.265 45.100 -0.235 0.000 0.766 32 G HN 0.609 nan 8.290 nan 0.000 0.552 33 F N 0.262 120.226 119.950 0.024 0.000 2.558 33 F HA 0.179 4.706 4.527 -0.001 0.000 0.298 33 F C 1.466 177.274 175.800 0.012 0.000 1.119 33 F CA 0.429 58.437 58.000 0.015 0.000 1.451 33 F CB -0.080 38.926 39.000 0.009 0.000 1.091 33 F HN 0.241 nan 8.300 nan 0.000 0.563 34 E N 0.542 120.835 120.200 0.156 0.000 2.513 34 E HA -0.196 4.153 4.350 -0.001 0.000 0.257 34 E C -0.105 176.552 176.600 0.094 0.000 1.098 34 E CA 0.415 56.874 56.400 0.097 0.000 0.752 34 E CB -1.482 28.259 29.700 0.067 0.000 1.324 34 E HN 0.568 nan 8.360 nan 0.000 0.403 35 E N 0.100 120.368 120.200 0.113 0.000 2.452 35 E HA -0.014 4.335 4.350 -0.001 0.000 0.261 35 E C 0.541 177.176 176.600 0.058 0.000 0.987 35 E CA 0.799 57.244 56.400 0.075 0.000 0.926 35 E CB 0.754 30.495 29.700 0.068 0.000 0.934 35 E HN 0.022 nan 8.360 nan 0.000 0.452 36 T N 2.180 116.760 114.554 0.043 0.000 2.737 36 T HA 0.024 4.374 4.350 -0.001 0.000 0.265 36 T C 0.881 175.606 174.700 0.043 0.000 1.038 36 T CA 1.415 63.537 62.100 0.037 0.000 1.144 36 T CB -0.030 68.855 68.868 0.027 0.000 0.866 36 T HN 0.714 nan 8.240 nan 0.000 0.434 37 A N 1.393 124.242 122.820 0.049 0.000 2.286 37 A HA 0.515 4.834 4.320 -0.001 0.000 0.286 37 A C -0.288 177.349 177.584 0.087 0.000 1.097 37 A CA -0.668 51.410 52.037 0.068 0.000 0.821 37 A CB 0.347 19.398 19.000 0.085 0.000 1.076 37 A HN 0.309 nan 8.150 nan 0.000 0.490 38 E N 0.753 121.024 120.200 0.119 0.000 2.324 38 E HA 0.438 4.787 4.350 -0.001 0.000 0.271 38 E C 0.354 177.038 176.600 0.140 0.000 1.028 38 E CA 0.462 56.944 56.400 0.137 0.000 0.890 38 E CB 0.884 30.672 29.700 0.147 0.000 1.004 38 E HN 0.757 nan 8.360 nan 0.000 0.431 39 A N 3.765 126.614 122.820 0.048 0.000 2.386 39 A HA 0.340 4.659 4.320 -0.001 0.000 0.248 39 A C -0.153 177.297 177.584 -0.223 0.000 1.082 39 A CA -0.350 51.595 52.037 -0.154 0.000 0.789 39 A CB 0.398 19.215 19.000 -0.305 0.000 1.025 39 A HN 0.718 nan 8.150 nan 0.000 0.490 40 M N 2.327 121.677 119.600 -0.417 0.000 2.044 40 M HA 0.390 4.869 4.480 -0.001 0.000 0.333 40 M C -1.858 174.196 176.300 -0.411 0.000 1.004 40 M CA -0.295 54.795 55.300 -0.350 0.000 0.954 40 M CB 0.398 32.714 32.600 -0.474 0.000 1.468 40 M HN 0.679 nan 8.290 nan 0.000 0.414 41 Y N 5.910 126.164 120.300 -0.076 0.000 2.802 41 Y HA 0.284 4.833 4.550 -0.001 0.000 0.330 41 Y C -0.241 175.602 175.900 -0.095 0.000 1.193 41 Y CA -0.331 57.720 58.100 -0.082 0.000 1.427 41 Y CB -0.005 38.408 38.460 -0.078 0.000 1.357 41 Y HN 0.545 nan 8.280 nan 0.000 0.501 42 L N 3.105 124.316 121.223 -0.021 0.000 2.415 42 L HA 0.199 4.538 4.340 -0.001 0.000 0.269 42 L C 0.462 177.289 176.870 -0.071 0.000 1.244 42 L CA 0.270 55.086 54.840 -0.040 0.000 1.113 42 L CB -0.289 41.737 42.059 -0.055 0.000 1.352 42 L HN 0.470 nan 8.230 nan 0.000 0.433 43 T N -0.776 113.710 114.554 -0.113 0.000 2.956 43 T HA 0.257 4.607 4.350 -0.001 0.000 0.312 43 T C 0.743 175.253 174.700 -0.317 0.000 1.151 43 T CA -0.154 61.810 62.100 -0.227 0.000 1.024 43 T CB 1.706 70.385 68.868 -0.315 0.000 1.140 43 T HN 0.479 nan 8.240 nan 0.000 0.473 44 S N 2.244 117.742 115.700 -0.336 0.000 2.470 44 S HA 0.429 4.899 4.470 -0.001 0.000 0.222 44 S C 1.046 175.286 174.600 -0.601 0.000 1.024 44 S CA 0.376 58.310 58.200 -0.444 0.000 0.931 44 S CB 0.090 63.094 63.200 -0.326 0.000 0.791 44 S HN 0.969 nan 8.310 nan 0.000 0.513 45 G N -0.703 107.790 108.800 -0.513 0.000 3.015 45 G HA2 0.695 4.654 3.960 -0.001 0.000 0.281 45 G HA3 0.695 4.654 3.960 -0.001 0.000 0.281 45 G C -1.807 172.600 174.900 -0.822 0.000 1.386 45 G CA -1.008 43.850 45.100 -0.403 0.000 0.959 45 G HN 0.250 nan 8.290 nan 0.000 0.522 46 Y N -1.674 118.615 120.300 -0.018 0.000 2.581 46 Y HA 0.585 5.134 4.550 -0.001 0.000 0.345 46 Y C 0.252 175.983 175.900 -0.280 0.000 1.036 46 Y CA -1.029 56.995 58.100 -0.126 0.000 1.042 46 Y CB 2.322 40.725 38.460 -0.096 0.000 1.289 46 Y HN 0.519 nan 8.280 nan 0.000 0.471 47 V N -1.284 118.540 119.914 -0.149 0.000 2.881 47 V HA 0.706 4.825 4.120 -0.001 0.000 0.316 47 V C -1.666 174.203 176.094 -0.374 0.000 1.070 47 V CA -1.119 61.055 62.300 -0.209 0.000 0.976 47 V CB 1.652 33.465 31.823 -0.017 0.000 1.038 47 V HN 0.654 nan 8.190 nan 0.000 0.446 48 Y N 1.263 121.627 120.300 0.105 0.000 2.446 48 Y HA 0.711 5.260 4.550 -0.001 0.000 0.345 48 Y C 1.355 177.286 175.900 0.051 0.000 0.984 48 Y CA -0.188 57.931 58.100 0.032 0.000 1.058 48 Y CB 2.366 40.787 38.460 -0.064 0.000 1.220 48 Y HN 0.763 nan 8.280 nan 0.000 0.455 49 G N 0.720 109.638 108.800 0.196 0.000 2.443 49 G HA2 0.118 4.078 3.960 -0.001 0.000 0.219 49 G HA3 0.118 4.078 3.960 -0.001 0.000 0.219 49 G C 0.127 175.090 174.900 0.105 0.000 1.131 49 G CA 0.957 46.134 45.100 0.128 0.000 0.775 49 G HN 0.606 nan 8.290 nan 0.000 0.547 50 S N -2.998 112.768 115.700 0.110 0.000 2.588 50 S HA 0.639 5.109 4.470 -0.001 0.000 0.269 50 S C 0.724 175.342 174.600 0.030 0.000 1.157 50 S CA 0.240 58.477 58.200 0.063 0.000 0.824 50 S CB 1.274 64.498 63.200 0.040 0.000 1.126 50 S HN 0.604 nan 8.310 nan 0.000 0.464 51 A N 1.153 123.974 122.820 0.002 0.000 1.933 51 A HA 0.310 4.629 4.320 -0.001 0.000 0.218 51 A C 2.279 179.820 177.584 -0.072 0.000 1.175 51 A CA 1.911 53.923 52.037 -0.042 0.000 0.628 51 A CB -1.541 17.440 19.000 -0.032 0.000 0.814 51 A HN 1.605 nan 8.150 nan 0.000 0.444 52 A N -0.480 122.316 122.820 -0.041 0.000 1.902 52 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 52 A C 2.212 179.764 177.584 -0.052 0.000 1.181 52 A CA 1.780 53.793 52.037 -0.040 0.000 0.623 52 A CB -0.917 18.073 19.000 -0.017 0.000 0.818 52 A HN 0.381 nan 8.150 nan 0.000 0.443 53 V N -0.134 119.755 119.914 -0.043 0.000 2.343 53 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 53 V C 3.059 179.039 176.094 -0.190 0.000 1.051 53 V CA 1.959 64.230 62.300 -0.049 0.000 1.036 53 V CB -1.238 30.605 31.823 0.033 0.000 0.654 53 V HN 0.629 nan 8.190 nan 0.000 0.451 54 A N -0.352 122.239 122.820 -0.382 0.000 1.883 54 A HA -0.300 4.019 4.320 -0.001 0.000 0.217 54 A C 2.292 179.708 177.584 -0.280 0.000 1.186 54 A CA 2.128 53.687 52.037 -0.796 0.000 0.624 54 A CB -0.562 17.924 19.000 -0.856 0.000 0.822 54 A HN 0.646 nan 8.150 nan 0.000 0.444 55 E N -0.056 120.047 120.200 -0.160 0.000 2.058 55 E HA -0.235 4.114 4.350 -0.001 0.000 0.194 55 E C 1.969 178.573 176.600 0.007 0.000 0.997 55 E CA 1.532 57.895 56.400 -0.061 0.000 0.801 55 E CB -0.139 29.521 29.700 -0.067 0.000 0.746 55 E HN 0.578 nan 8.360 nan 0.000 0.450 56 K N 0.084 120.472 120.400 -0.020 0.000 2.147 56 K HA -0.076 4.243 4.320 -0.001 0.000 0.205 56 K C 2.366 178.979 176.600 0.021 0.000 1.049 56 K CA 1.268 57.557 56.287 0.004 0.000 0.936 56 K CB -0.029 32.469 32.500 -0.003 0.000 0.722 56 K HN 0.055 nan 8.250 nan 0.000 0.446 57 S N 0.824 116.527 115.700 0.004 0.000 2.368 57 S HA -0.082 4.387 4.470 -0.001 0.000 0.224 57 S C 1.694 176.297 174.600 0.005 0.000 1.029 57 S CA 1.122 59.329 58.200 0.011 0.000 0.988 57 S CB -0.285 62.922 63.200 0.010 0.000 0.838 57 S HN 0.193 nan 8.310 nan 0.000 0.462 58 F N 1.745 121.680 119.950 -0.024 0.000 2.293 58 F HA 0.008 4.534 4.527 -0.001 0.000 0.300 58 F C 2.408 178.213 175.800 0.009 0.000 1.086 58 F CA 0.772 58.781 58.000 0.015 0.000 1.375 58 F CB -0.351 38.641 39.000 -0.013 0.000 1.045 58 F HN 0.192 nan 8.300 nan 0.000 0.516 59 A N -0.654 122.259 122.820 0.155 0.000 2.119 59 A HA 0.319 4.638 4.320 -0.001 0.000 0.216 59 A C 2.085 179.696 177.584 0.045 0.000 1.152 59 A CA 1.077 53.164 52.037 0.083 0.000 0.708 59 A CB -0.998 18.033 19.000 0.051 0.000 0.805 59 A HN 0.594 nan 8.150 nan 0.000 0.460 60 G N -0.935 107.882 108.800 0.029 0.000 2.175 60 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.244 60 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.244 60 G C 0.578 175.477 174.900 -0.002 0.000 0.982 60 G CA 0.623 45.725 45.100 0.004 0.000 0.641 60 G HN 0.555 nan 8.290 nan 0.000 0.527 61 E N -0.568 119.636 120.200 0.006 0.000 2.208 61 E HA 0.164 4.513 4.350 -0.001 0.000 0.193 61 E C 1.029 177.629 176.600 0.000 0.000 0.988 61 E CA 0.577 56.979 56.400 0.003 0.000 0.828 61 E CB 0.150 29.854 29.700 0.006 0.000 0.763 61 E HN 0.579 nan 8.360 nan 0.000 0.478 62 L N 0.894 122.120 121.223 0.005 0.000 2.341 62 L HA 0.184 4.523 4.340 -0.001 0.000 0.267 62 L C 0.242 177.103 176.870 -0.015 0.000 1.009 62 L CA -0.776 54.069 54.840 0.009 0.000 0.819 62 L CB 1.643 43.730 42.059 0.048 0.000 1.323 62 L HN -0.070 nan 8.230 nan 0.000 0.425 63 D N -1.205 119.162 120.400 -0.055 0.000 2.319 63 D HA -0.088 4.551 4.640 -0.001 0.000 0.230 63 D C 0.681 176.834 176.300 -0.246 0.000 1.094 63 D CA -0.163 53.744 54.000 -0.154 0.000 0.856 63 D CB -0.127 40.565 40.800 -0.181 0.000 0.915 63 D HN 0.343 nan 8.370 nan 0.000 0.517 64 H N 0.837 119.789 119.070 -0.196 0.000 3.173 64 H HA -0.134 4.421 4.556 -0.001 0.000 0.311 64 H C -0.417 174.729 175.328 -0.303 0.000 0.972 64 H CA 0.485 56.429 56.048 -0.174 0.000 1.384 64 H CB 0.132 29.907 29.762 0.021 0.000 1.349 64 H HN 0.057 nan 8.280 nan 0.000 0.582 65 Y N 3.365 123.465 120.300 -0.333 0.000 2.480 65 Y HA -0.053 4.496 4.550 -0.001 0.000 0.338 65 Y C 1.429 177.140 175.900 -0.315 0.000 1.220 65 Y CA 0.067 57.818 58.100 -0.581 0.000 1.430 65 Y CB 0.683 38.333 38.460 -1.350 0.000 1.311 65 Y HN 0.355 nan 8.280 nan 0.000 0.575 66 V N 1.245 121.125 119.914 -0.056 0.000 3.058 66 V HA 0.147 4.266 4.120 -0.001 0.000 0.233 66 V C -1.168 175.148 176.094 0.370 0.000 1.255 66 V CA -0.120 62.274 62.300 0.156 0.000 1.267 66 V CB 0.448 32.187 31.823 -0.140 0.000 1.049 66 V HN 0.679 nan 8.190 nan 0.000 0.486 67 Y N -1.259 119.009 120.300 -0.054 0.000 2.424 67 Y HA 0.297 4.846 4.550 -0.001 0.000 0.323 67 Y C 0.842 176.619 175.900 -0.205 0.000 1.174 67 Y CA -0.307 57.747 58.100 -0.076 0.000 1.060 67 Y CB 2.143 40.485 38.460 -0.197 0.000 1.314 67 Y HN -0.117 nan 8.280 nan 0.000 0.439 68 S N 3.381 118.846 115.700 -0.393 0.000 2.507 68 S HA -0.081 4.388 4.470 -0.001 0.000 0.235 68 S C 1.836 176.353 174.600 -0.139 0.000 0.988 68 S CA 0.768 58.842 58.200 -0.210 0.000 0.944 68 S CB -0.133 62.941 63.200 -0.209 0.000 0.762 68 S HN 0.688 nan 8.310 nan 0.000 0.526 69 R N 0.582 121.015 120.500 -0.112 0.000 2.159 69 R HA -0.150 4.189 4.340 -0.001 0.000 0.237 69 R C 1.076 177.565 176.300 0.314 0.000 1.131 69 R CA 1.466 57.677 56.100 0.185 0.000 0.982 69 R CB -0.022 30.543 30.300 0.442 0.000 0.868 69 R HN 0.744 nan 8.270 nan 0.000 0.453 70 Y N -4.198 116.253 120.300 0.251 0.000 2.728 70 Y HA 0.537 5.086 4.550 -0.001 0.000 0.256 70 Y C -0.121 175.882 175.900 0.171 0.000 1.112 70 Y CA -0.389 57.883 58.100 0.288 0.000 1.240 70 Y CB 0.583 39.211 38.460 0.279 0.000 1.337 70 Y HN -0.057 nan 8.280 nan 0.000 0.559 71 G N 1.391 110.209 108.800 0.031 0.000 2.682 71 G HA2 0.351 4.311 3.960 -0.001 0.000 0.300 71 G HA3 0.351 4.311 3.960 -0.001 0.000 0.300 71 G C -2.508 172.459 174.900 0.112 0.000 1.396 71 G CA -0.869 44.297 45.100 0.110 0.000 1.104 71 G HN 0.221 nan 8.290 nan 0.000 0.587 72 N N 2.885 121.592 118.700 0.012 0.000 2.371 72 N HA 0.431 5.170 4.740 -0.001 0.000 0.280 72 N C -2.279 172.967 175.510 -0.439 0.000 1.084 72 N CA -1.691 51.205 53.050 -0.258 0.000 0.892 72 N CB 3.557 42.012 38.487 -0.053 0.000 1.653 72 N HN 0.105 nan 8.380 nan 0.000 0.480 73 P HA -0.035 nan 4.420 nan 0.000 0.218 73 P C 1.071 178.329 177.300 -0.069 0.000 1.149 73 P CA 1.397 64.183 63.100 -0.523 0.000 0.817 73 P CB 0.279 31.545 31.700 -0.723 0.000 0.785 74 T N -0.287 114.301 114.554 0.056 0.000 2.812 74 T HA -0.038 4.312 4.350 -0.001 0.000 0.264 74 T C 1.960 176.735 174.700 0.125 0.000 1.042 74 T CA 0.933 63.123 62.100 0.150 0.000 1.140 74 T CB -0.866 68.106 68.868 0.174 0.000 0.870 74 T HN -0.125 nan 8.240 nan 0.000 0.445 75 V N 1.749 121.717 119.914 0.089 0.000 2.332 75 V HA -0.182 3.938 4.120 -0.001 0.000 0.248 75 V C 2.688 178.866 176.094 0.140 0.000 1.055 75 V CA 1.750 64.125 62.300 0.125 0.000 1.038 75 V CB -0.858 31.017 31.823 0.086 0.000 0.651 75 V HN 0.432 nan 8.190 nan 0.000 0.450 76 S N -0.169 115.580 115.700 0.083 0.000 2.383 76 S HA -0.178 4.291 4.470 -0.001 0.000 0.229 76 S C 1.980 176.618 174.600 0.063 0.000 1.030 76 S CA 1.558 59.800 58.200 0.070 0.000 1.002 76 S CB -0.242 63.027 63.200 0.115 0.000 0.829 76 S HN 0.422 nan 8.310 nan 0.000 0.467 77 V N 1.167 121.136 119.914 0.091 0.000 2.307 77 V HA -0.141 3.978 4.120 -0.001 0.000 0.245 77 V C 1.863 178.003 176.094 0.077 0.000 1.045 77 V CA 1.807 64.155 62.300 0.079 0.000 1.024 77 V CB -0.786 31.098 31.823 0.101 0.000 0.651 77 V HN 0.527 nan 8.190 nan 0.000 0.449 78 F N 1.498 121.454 119.950 0.010 0.000 2.091 78 F HA -0.227 4.299 4.527 -0.001 0.000 0.299 78 F C 2.352 178.156 175.800 0.006 0.000 1.103 78 F CA 2.259 60.260 58.000 0.002 0.000 1.228 78 F CB -0.335 38.671 39.000 0.011 0.000 0.984 78 F HN 0.238 nan 8.300 nan 0.000 0.477 79 E N -0.369 119.740 120.200 -0.151 0.000 2.051 79 E HA -0.264 4.085 4.350 -0.001 0.000 0.192 79 E C 2.084 178.554 176.600 -0.216 0.000 0.991 79 E CA 1.441 57.705 56.400 -0.227 0.000 0.799 79 E CB -0.302 29.365 29.700 -0.055 0.000 0.748 79 E HN 0.427 nan 8.360 nan 0.000 0.449 80 E N 1.210 121.333 120.200 -0.128 0.000 2.106 80 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 80 E C 2.003 178.531 176.600 -0.121 0.000 0.984 80 E CA 1.115 57.456 56.400 -0.099 0.000 0.806 80 E CB 0.003 29.670 29.700 -0.055 0.000 0.750 80 E HN 0.050 nan 8.360 nan 0.000 0.458 81 R N -0.402 120.012 120.500 -0.144 0.000 2.073 81 R HA -0.137 4.202 4.340 -0.001 0.000 0.234 81 R C 2.273 178.463 176.300 -0.184 0.000 1.134 81 R CA 1.502 57.520 56.100 -0.137 0.000 0.952 81 R CB -0.439 29.794 30.300 -0.111 0.000 0.850 81 R HN 0.313 nan 8.270 nan 0.000 0.433 82 L N 1.227 122.261 121.223 -0.314 0.000 2.056 82 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 82 L C 2.446 179.227 176.870 -0.150 0.000 1.078 82 L CA 1.720 56.384 54.840 -0.294 0.000 0.749 82 L CB -0.580 41.183 42.059 -0.493 0.000 0.901 82 L HN 0.139 nan 8.230 nan 0.000 0.433 83 R N -0.711 119.710 120.500 -0.131 0.000 2.091 83 R HA -0.181 4.158 4.340 -0.001 0.000 0.238 83 R C 2.227 178.491 176.300 -0.060 0.000 1.136 83 R CA 2.032 58.091 56.100 -0.067 0.000 0.959 83 R CB -0.341 29.916 30.300 -0.071 0.000 0.856 83 R HN 0.447 nan 8.270 nan 0.000 0.437 84 L N 0.033 121.213 121.223 -0.071 0.000 2.109 84 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 84 L C 2.370 179.215 176.870 -0.042 0.000 1.086 84 L CA 0.839 55.646 54.840 -0.055 0.000 0.760 84 L CB -0.231 41.795 42.059 -0.054 0.000 0.910 84 L HN 0.209 nan 8.230 nan 0.000 0.437 85 I N -0.088 120.450 120.570 -0.053 0.000 2.226 85 I HA -0.270 3.899 4.170 -0.001 0.000 0.245 85 I C 2.571 178.685 176.117 -0.005 0.000 1.100 85 I CA 1.219 62.494 61.300 -0.042 0.000 1.374 85 I CB -0.085 37.870 38.000 -0.075 0.000 1.057 85 I HN 0.252 nan 8.210 nan 0.000 0.413 86 E N 1.211 121.424 120.200 0.021 0.000 2.158 86 E HA -0.028 4.321 4.350 -0.001 0.000 0.191 86 E C 1.292 177.956 176.600 0.106 0.000 0.982 86 E CA 0.959 57.428 56.400 0.115 0.000 0.823 86 E CB -0.036 29.797 29.700 0.222 0.000 0.766 86 E HN 0.374 nan 8.360 nan 0.000 0.468 87 G N -0.126 108.687 108.800 0.021 0.000 2.291 87 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.271 87 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.271 87 G C 0.025 174.830 174.900 -0.160 0.000 1.099 87 G CA 0.242 45.323 45.100 -0.032 0.000 0.919 87 G HN 0.588 nan 8.290 nan 0.000 0.496 88 A N -0.227 122.462 122.820 -0.218 0.000 2.294 88 A HA 0.934 5.254 4.320 -0.001 0.000 0.330 88 A C -0.435 176.959 177.584 -0.316 0.000 1.133 88 A CA -1.069 50.669 52.037 -0.498 0.000 0.836 88 A CB 1.142 19.954 19.000 -0.313 0.000 1.190 88 A HN 0.074 nan 8.150 nan 0.000 0.492 89 P HA 0.130 nan 4.420 nan 0.000 0.217 89 P C 0.216 177.465 177.300 -0.086 0.000 1.151 89 P CA 1.900 64.900 63.100 -0.167 0.000 0.828 89 P CB 0.233 31.850 31.700 -0.139 0.000 0.788 90 A N -2.054 120.734 122.820 -0.053 0.000 2.601 90 A HA 0.762 5.082 4.320 -0.001 0.000 0.291 90 A C -1.783 175.836 177.584 0.058 0.000 1.075 90 A CA -0.081 51.960 52.037 0.008 0.000 0.671 90 A CB 1.046 20.071 19.000 0.042 0.000 1.277 90 A HN 0.087 nan 8.150 nan 0.000 0.417 91 A N -0.168 122.693 122.820 0.069 0.000 2.594 91 A HA 0.834 5.153 4.320 -0.001 0.000 0.295 91 A C -1.695 175.977 177.584 0.147 0.000 1.071 91 A CA -0.312 51.795 52.037 0.116 0.000 0.685 91 A CB 1.003 20.031 19.000 0.047 0.000 1.285 91 A HN 1.764 nan 8.150 nan 0.000 0.405 92 F N 1.149 121.158 119.950 0.098 0.000 2.585 92 F HA 0.609 5.135 4.527 -0.001 0.000 0.319 92 F C 0.386 176.287 175.800 0.168 0.000 1.165 92 F CA -0.275 57.792 58.000 0.111 0.000 0.949 92 F CB 1.694 40.735 39.000 0.069 0.000 1.218 92 F HN 0.942 nan 8.300 nan 0.000 0.453 93 A N 3.191 126.279 122.820 0.447 0.000 2.371 93 A HA 0.675 4.994 4.320 -0.001 0.000 0.257 93 A C -0.101 177.743 177.584 0.432 0.000 1.089 93 A CA 0.235 52.545 52.037 0.455 0.000 0.794 93 A CB 0.494 19.749 19.000 0.425 0.000 1.029 93 A HN 0.756 nan 8.150 nan 0.000 0.488 94 T N -2.269 112.472 114.554 0.312 0.000 2.887 94 T HA 0.630 4.979 4.350 -0.001 0.000 0.292 94 T C 0.905 175.702 174.700 0.162 0.000 1.087 94 T CA -0.031 62.208 62.100 0.232 0.000 1.009 94 T CB 1.396 70.387 68.868 0.204 0.000 1.203 94 T HN 1.287 nan 8.240 nan 0.000 0.518 95 A N 1.003 123.907 122.820 0.141 0.000 2.019 95 A HA 0.367 4.687 4.320 -0.001 0.000 0.219 95 A C 1.308 178.951 177.584 0.099 0.000 1.164 95 A CA 1.299 53.401 52.037 0.109 0.000 0.644 95 A CB -0.999 18.064 19.000 0.105 0.000 0.805 95 A HN 1.719 nan 8.150 nan 0.000 0.449 96 S N -4.824 110.947 115.700 0.118 0.000 2.615 96 S HA 0.526 4.996 4.470 -0.001 0.000 0.269 96 S C 0.982 175.666 174.600 0.139 0.000 1.161 96 S CA 0.121 58.391 58.200 0.117 0.000 0.817 96 S CB 0.808 64.076 63.200 0.114 0.000 1.131 96 S HN 0.751 nan 8.310 nan 0.000 0.467 97 G N 0.819 109.698 108.800 0.131 0.000 2.440 97 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.218 97 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.218 97 G C 1.158 176.149 174.900 0.151 0.000 1.154 97 G CA 1.166 46.347 45.100 0.134 0.000 0.767 97 G HN 0.544 nan 8.290 nan 0.000 0.552 98 M N 1.148 120.845 119.600 0.162 0.000 2.229 98 M HA 0.117 4.596 4.480 -0.001 0.000 0.264 98 M C 2.945 179.366 176.300 0.201 0.000 1.063 98 M CA 0.901 56.316 55.300 0.192 0.000 1.114 98 M CB -1.223 31.497 32.600 0.201 0.000 1.387 98 M HN 0.321 nan 8.290 nan 0.000 0.420 99 A N 0.085 123.015 122.820 0.184 0.000 1.933 99 A HA 0.024 4.343 4.320 -0.001 0.000 0.218 99 A C 2.437 180.142 177.584 0.200 0.000 1.175 99 A CA 1.924 54.083 52.037 0.205 0.000 0.628 99 A CB -0.797 18.303 19.000 0.168 0.000 0.814 99 A HN 0.457 nan 8.150 nan 0.000 0.444 100 A N -0.490 122.438 122.820 0.180 0.000 1.877 100 A HA 0.017 4.336 4.320 -0.001 0.000 0.216 100 A C 2.239 179.912 177.584 0.147 0.000 1.186 100 A CA 1.761 53.897 52.037 0.165 0.000 0.620 100 A CB -0.950 18.161 19.000 0.186 0.000 0.822 100 A HN 0.358 nan 8.150 nan 0.000 0.443 101 V N -1.079 118.930 119.914 0.159 0.000 2.237 101 V HA -0.254 3.865 4.120 -0.001 0.000 0.245 101 V C 2.295 178.427 176.094 0.064 0.000 1.046 101 V CA 2.277 64.641 62.300 0.108 0.000 1.007 101 V CB -1.030 30.860 31.823 0.112 0.000 0.638 101 V HN 0.636 nan 8.190 nan 0.000 0.445 102 F N 1.396 121.355 119.950 0.016 0.000 2.095 102 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 102 F C 2.441 178.259 175.800 0.030 0.000 1.104 102 F CA 2.455 60.469 58.000 0.023 0.000 1.232 102 F CB -0.720 38.320 39.000 0.066 0.000 0.987 102 F HN 0.130 nan 8.300 nan 0.000 0.475 103 T N -0.161 114.342 114.554 -0.086 0.000 2.777 103 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 103 T C 2.287 176.881 174.700 -0.178 0.000 1.040 103 T CA 1.624 63.604 62.100 -0.199 0.000 1.141 103 T CB -0.674 68.173 68.868 -0.035 0.000 0.868 103 T HN 0.503 nan 8.240 nan 0.000 0.444 104 S N 2.014 117.686 115.700 -0.047 0.000 2.370 104 S HA -0.058 4.412 4.470 -0.001 0.000 0.226 104 S C 2.094 176.724 174.600 0.049 0.000 1.033 104 S CA 1.003 59.249 58.200 0.077 0.000 1.011 104 S CB -0.861 62.438 63.200 0.164 0.000 0.852 104 S HN 0.446 nan 8.310 nan 0.000 0.457 105 L N 1.429 122.605 121.223 -0.079 0.000 2.044 105 L HA 0.115 4.454 4.340 -0.001 0.000 0.205 105 L C 3.119 179.888 176.870 -0.168 0.000 1.075 105 L CA 1.076 55.851 54.840 -0.108 0.000 0.747 105 L CB -1.316 40.644 42.059 -0.165 0.000 0.903 105 L HN 0.524 nan 8.230 nan 0.000 0.435 106 G N -0.135 108.439 108.800 -0.376 0.000 2.475 106 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.220 106 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.220 106 G C 1.703 176.476 174.900 -0.211 0.000 1.125 106 G CA 0.878 45.733 45.100 -0.407 0.000 0.755 106 G HN 0.476 nan 8.290 nan 0.000 0.565 107 A N -0.090 122.642 122.820 -0.147 0.000 2.066 107 A HA 0.286 4.605 4.320 -0.001 0.000 0.218 107 A C 2.256 179.869 177.584 0.047 0.000 1.157 107 A CA 0.833 52.833 52.037 -0.062 0.000 0.670 107 A CB -0.145 18.797 19.000 -0.097 0.000 0.804 107 A HN 0.380 nan 8.150 nan 0.000 0.453 108 L N -1.479 119.780 121.223 0.059 0.000 2.513 108 L HA 0.293 4.633 4.340 -0.001 0.000 0.222 108 L C -0.381 176.498 176.870 0.015 0.000 1.096 108 L CA 0.182 55.060 54.840 0.063 0.000 0.857 108 L CB 0.211 42.304 42.059 0.058 0.000 1.026 108 L HN 0.190 nan 8.230 nan 0.000 0.469 109 L N -0.131 121.083 121.223 -0.016 0.000 2.415 109 L HA 0.543 4.882 4.340 -0.001 0.000 0.268 109 L C 0.139 177.000 176.870 -0.016 0.000 0.984 109 L CA -0.430 54.402 54.840 -0.013 0.000 0.853 109 L CB 1.577 43.628 42.059 -0.013 0.000 1.215 109 L HN -0.121 nan 8.230 nan 0.000 0.419 110 G N 1.370 110.166 108.800 -0.006 0.000 2.552 110 G HA2 0.712 4.671 3.960 -0.001 0.000 0.318 110 G HA3 0.712 4.671 3.960 -0.001 0.000 0.318 110 G C -0.347 174.568 174.900 0.024 0.000 1.240 110 G CA -0.564 44.535 45.100 -0.002 0.000 1.002 110 G HN 0.672 nan 8.290 nan 0.000 0.493 111 A N -1.440 121.400 122.820 0.033 0.000 2.540 111 A HA 0.501 4.821 4.320 -0.001 0.000 0.239 111 A C 1.570 179.173 177.584 0.031 0.000 1.061 111 A CA 1.396 53.463 52.037 0.050 0.000 0.758 111 A CB -0.412 18.622 19.000 0.056 0.000 0.991 111 A HN 2.563 nan 8.150 nan 0.000 0.502 112 G N 1.978 110.797 108.800 0.031 0.000 2.217 112 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.246 112 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.246 112 G C -0.008 174.902 174.900 0.016 0.000 0.990 112 G CA 0.374 45.486 45.100 0.020 0.000 0.627 112 G HN 0.808 nan 8.290 nan 0.000 0.522 113 D N -0.073 120.337 120.400 0.017 0.000 2.348 113 D HA 0.600 5.240 4.640 -0.001 0.000 0.249 113 D C 0.608 176.912 176.300 0.008 0.000 1.110 113 D CA -0.164 53.843 54.000 0.012 0.000 0.967 113 D CB 1.048 41.855 40.800 0.012 0.000 1.139 113 D HN 0.446 nan 8.370 nan 0.000 0.466 114 R N 0.656 121.160 120.500 0.006 0.000 2.561 114 R HA 0.528 4.867 4.340 -0.001 0.000 0.297 114 R C -1.679 174.621 176.300 0.000 0.000 0.969 114 R CA -0.805 55.293 56.100 -0.002 0.000 0.879 114 R CB 0.923 31.224 30.300 0.002 0.000 1.178 114 R HN 0.284 nan 8.270 nan 0.000 0.445 115 L N 4.826 126.035 121.223 -0.023 0.000 2.356 115 L HA 0.518 4.858 4.340 -0.001 0.000 0.277 115 L C -1.606 175.237 176.870 -0.046 0.000 0.996 115 L CA -0.554 54.276 54.840 -0.018 0.000 0.822 115 L CB 2.150 44.182 42.059 -0.045 0.000 1.256 115 L HN 0.412 nan 8.230 nan 0.000 0.413 116 V N 4.980 124.917 119.914 0.038 0.000 2.417 116 V HA 0.930 5.049 4.120 -0.001 0.000 0.291 116 V C 0.139 176.335 176.094 0.170 0.000 1.024 116 V CA -0.015 62.315 62.300 0.050 0.000 0.861 116 V CB 0.995 32.903 31.823 0.142 0.000 0.985 116 V HN 1.028 nan 8.190 nan 0.000 0.436 117 A N 3.850 126.694 122.820 0.041 0.000 2.515 117 A HA 0.958 5.277 4.320 -0.001 0.000 0.296 117 A C -0.097 177.635 177.584 0.247 0.000 1.094 117 A CA -0.340 51.862 52.037 0.275 0.000 0.718 117 A CB 1.621 20.791 19.000 0.284 0.000 1.307 117 A HN 1.285 nan 8.150 nan 0.000 0.408 118 A N 0.295 123.356 122.820 0.401 0.000 2.407 118 A HA 0.472 4.791 4.320 -0.001 0.000 0.248 118 A C 1.124 178.964 177.584 0.427 0.000 1.082 118 A CA 0.142 52.342 52.037 0.272 0.000 0.785 118 A CB 0.090 19.304 19.000 0.357 0.000 1.020 118 A HN 0.981 nan 8.150 nan 0.000 0.489 119 R N 0.703 121.356 120.500 0.254 0.000 2.161 119 R HA 0.019 4.359 4.340 -0.001 0.000 0.213 119 R C 0.120 176.467 176.300 0.078 0.000 1.055 119 R CA 0.987 57.172 56.100 0.142 0.000 0.996 119 R CB 0.056 30.360 30.300 0.006 0.000 0.901 119 R HN 0.627 nan 8.270 nan 0.000 0.456 120 S N 1.717 117.482 115.700 0.108 0.000 3.483 120 S HA 0.275 4.745 4.470 -0.001 0.000 0.274 120 S C -0.581 174.132 174.600 0.189 0.000 1.289 120 S CA -0.173 58.086 58.200 0.098 0.000 0.938 120 S CB 0.016 63.264 63.200 0.080 0.000 1.453 120 S HN 0.164 nan 8.310 nan 0.000 0.494 121 L N 1.433 122.789 121.223 0.220 0.000 2.323 121 L HA 0.616 4.956 4.340 -0.001 0.000 0.265 121 L C 0.043 177.107 176.870 0.324 0.000 1.012 121 L CA -1.264 53.781 54.840 0.342 0.000 0.820 121 L CB 0.813 43.171 42.059 0.500 0.000 1.334 121 L HN 0.304 nan 8.230 nan 0.000 0.427 122 F N 1.235 121.320 119.950 0.225 0.000 2.623 122 F HA 0.010 4.536 4.527 -0.001 0.000 0.386 122 F C 1.462 177.356 175.800 0.156 0.000 1.068 122 F CA 0.882 58.993 58.000 0.186 0.000 1.265 122 F CB 0.893 40.021 39.000 0.213 0.000 1.026 122 F HN 0.629 nan 8.300 nan 0.000 0.568 123 G N 3.204 111.770 108.800 -0.390 0.000 2.649 123 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.220 123 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.220 123 G C 1.697 176.534 174.900 -0.105 0.000 1.189 123 G CA 1.188 46.104 45.100 -0.307 0.000 0.777 123 G HN 0.658 nan 8.290 nan 0.000 0.602 124 S N -0.659 114.922 115.700 -0.198 0.000 2.399 124 S HA -0.158 4.312 4.470 -0.001 0.000 0.231 124 S C 2.428 177.156 174.600 0.213 0.000 1.022 124 S CA 1.246 59.487 58.200 0.067 0.000 0.983 124 S CB -0.417 62.877 63.200 0.158 0.000 0.803 124 S HN 0.572 nan 8.310 nan 0.000 0.480 125 C N 0.435 119.950 119.300 0.359 0.000 2.440 125 C HA 0.016 4.475 4.460 -0.001 0.000 0.278 125 C C 2.194 177.353 174.990 0.282 0.000 1.295 125 C CA 0.082 59.298 59.018 0.329 0.000 1.738 125 C CB -1.471 26.576 27.740 0.511 0.000 1.987 125 C HN 0.672 nan 8.230 nan 0.000 0.492 126 F N 1.591 121.638 119.950 0.162 0.000 2.171 126 F HA -0.119 4.407 4.527 -0.001 0.000 0.300 126 F C 2.190 178.044 175.800 0.090 0.000 1.090 126 F CA 1.535 59.602 58.000 0.111 0.000 1.293 126 F CB -0.253 38.733 39.000 -0.022 0.000 1.013 126 F HN 0.021 nan 8.300 nan 0.000 0.486 127 V N -0.641 119.348 119.914 0.124 0.000 2.427 127 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 127 V C 2.363 178.441 176.094 -0.026 0.000 1.051 127 V CA 1.540 63.850 62.300 0.017 0.000 1.048 127 V CB -0.782 31.063 31.823 0.036 0.000 0.666 127 V HN 0.247 nan 8.190 nan 0.000 0.456 128 V N -0.849 119.080 119.914 0.026 0.000 2.295 128 V HA -0.300 3.819 4.120 -0.001 0.000 0.246 128 V C 2.498 178.603 176.094 0.018 0.000 1.049 128 V CA 2.435 64.766 62.300 0.053 0.000 1.024 128 V CB -0.659 31.230 31.823 0.110 0.000 0.648 128 V HN 0.650 nan 8.190 nan 0.000 0.447 129 C N 0.213 119.505 119.300 -0.014 0.000 2.457 129 C HA -0.050 4.410 4.460 -0.001 0.000 0.278 129 C C 3.107 178.069 174.990 -0.046 0.000 1.309 129 C CA 1.199 60.204 59.018 -0.022 0.000 1.735 129 C CB -0.850 26.940 27.740 0.082 0.000 1.992 129 C HN 0.753 nan 8.230 nan 0.000 0.493 130 S N -0.064 115.568 115.700 -0.112 0.000 2.470 130 S HA 0.080 4.549 4.470 -0.001 0.000 0.222 130 S C 1.308 175.854 174.600 -0.090 0.000 1.024 130 S CA 0.690 58.821 58.200 -0.114 0.000 0.931 130 S CB -0.181 62.748 63.200 -0.451 0.000 0.791 130 S HN 0.722 nan 8.310 nan 0.000 0.513 131 E N 0.479 120.618 120.200 -0.101 0.000 2.520 131 E HA 0.366 4.716 4.350 -0.001 0.000 0.201 131 E C 1.813 178.333 176.600 -0.134 0.000 0.894 131 E CA 0.173 56.515 56.400 -0.096 0.000 1.161 131 E CB 0.027 29.675 29.700 -0.086 0.000 1.137 131 E HN 0.317 nan 8.360 nan 0.000 0.510 132 I N 1.478 121.968 120.570 -0.134 0.000 2.163 132 I HA -0.236 3.933 4.170 -0.001 0.000 0.240 132 I C 2.331 178.358 176.117 -0.150 0.000 1.081 132 I CA 1.174 62.342 61.300 -0.220 0.000 1.353 132 I CB -0.121 37.778 38.000 -0.168 0.000 1.054 132 I HN 0.082 nan 8.210 nan 0.000 0.407 133 L N 0.367 121.622 121.223 0.054 0.000 2.093 133 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 133 L C -0.383 176.539 176.870 0.088 0.000 1.085 133 L CA 1.351 56.292 54.840 0.168 0.000 0.755 133 L CB -1.643 40.503 42.059 0.145 0.000 0.904 133 L HN 0.167 nan 8.230 nan 0.000 0.435 134 P HA -0.168 nan 4.420 nan 0.000 0.220 134 P C 1.367 178.654 177.300 -0.023 0.000 1.148 134 P CA 1.088 64.184 63.100 -0.007 0.000 0.803 134 P CB -0.075 31.606 31.700 -0.032 0.000 0.782 135 R N -1.109 119.323 120.500 -0.113 0.000 2.193 135 R HA -0.112 4.227 4.340 -0.001 0.000 0.229 135 R C 0.781 177.016 176.300 -0.108 0.000 1.110 135 R CA 1.058 57.042 56.100 -0.193 0.000 0.988 135 R CB -0.249 29.814 30.300 -0.394 0.000 0.871 135 R HN 0.199 nan 8.270 nan 0.000 0.458 136 W N 0.075 121.394 121.300 0.031 0.000 3.194 136 W HA 0.370 5.029 4.660 -0.001 0.000 0.408 136 W C 0.698 177.229 176.519 0.021 0.000 1.072 136 W CA 0.299 57.665 57.345 0.035 0.000 1.953 136 W CB 0.246 29.744 29.460 0.063 0.000 1.091 136 W HN 0.420 nan 8.180 nan 0.000 0.699 137 G N 0.388 109.292 108.800 0.173 0.000 2.141 137 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.242 137 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.242 137 G C -0.016 174.928 174.900 0.073 0.000 0.982 137 G CA 0.000 45.162 45.100 0.103 0.000 0.662 137 G HN -0.013 nan 8.290 nan 0.000 0.527 138 V N 0.537 120.497 119.914 0.077 0.000 2.732 138 V HA 0.690 4.809 4.120 -0.001 0.000 0.297 138 V C 0.830 176.928 176.094 0.007 0.000 1.060 138 V CA 0.673 62.997 62.300 0.040 0.000 1.038 138 V CB 1.365 33.214 31.823 0.045 0.000 1.003 138 V HN 0.988 nan 8.190 nan 0.000 0.481 139 Q N 2.252 122.046 119.800 -0.010 0.000 2.368 139 Q HA 0.575 4.914 4.340 -0.001 0.000 0.256 139 Q C -0.149 175.807 176.000 -0.072 0.000 0.980 139 Q CA -0.598 55.186 55.803 -0.031 0.000 0.887 139 Q CB 1.157 29.884 28.738 -0.018 0.000 1.221 139 Q HN 0.815 nan 8.270 nan 0.000 0.458 140 T N 1.685 116.167 114.554 -0.119 0.000 2.779 140 T HA 0.623 4.973 4.350 -0.001 0.000 0.280 140 T C -0.347 174.177 174.700 -0.293 0.000 0.987 140 T CA -0.436 61.514 62.100 -0.250 0.000 0.966 140 T CB 1.318 69.970 68.868 -0.360 0.000 0.933 140 T HN 0.553 nan 8.240 nan 0.000 0.442 141 V N 4.134 123.853 119.914 -0.325 0.000 2.495 141 V HA 0.547 4.666 4.120 -0.001 0.000 0.298 141 V C -0.821 175.050 176.094 -0.372 0.000 1.031 141 V CA -0.940 61.211 62.300 -0.247 0.000 0.871 141 V CB 1.123 32.880 31.823 -0.111 0.000 0.988 141 V HN 0.755 nan 8.190 nan 0.000 0.432 142 F N 3.860 123.796 119.950 -0.024 0.000 2.425 142 F HA 0.763 5.289 4.527 -0.001 0.000 0.331 142 F C 0.309 176.032 175.800 -0.129 0.000 1.085 142 F CA -0.599 57.378 58.000 -0.039 0.000 1.028 142 F CB 1.961 40.995 39.000 0.056 0.000 1.177 142 F HN 0.412 nan 8.300 nan 0.000 0.487 143 V N -1.520 118.361 119.914 -0.056 0.000 3.040 143 V HA 0.573 4.692 4.120 -0.001 0.000 0.312 143 V C -0.980 174.962 176.094 -0.255 0.000 1.115 143 V CA -1.136 60.998 62.300 -0.278 0.000 0.998 143 V CB 1.968 33.380 31.823 -0.685 0.000 1.042 143 V HN 0.517 nan 8.190 nan 0.000 0.433 144 D N 2.559 122.824 120.400 -0.224 0.000 2.358 144 D HA 0.293 4.932 4.640 -0.001 0.000 0.258 144 D C 1.310 177.487 176.300 -0.205 0.000 1.223 144 D CA 0.899 54.808 54.000 -0.152 0.000 0.886 144 D CB 1.609 42.352 40.800 -0.095 0.000 1.120 144 D HN 0.944 nan 8.370 nan 0.000 0.482 145 G N 2.632 111.381 108.800 -0.084 0.000 2.462 145 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.220 145 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.220 145 G C 0.936 175.959 174.900 0.206 0.000 1.121 145 G CA 0.509 45.673 45.100 0.107 0.000 0.758 145 G HN 0.501 nan 8.290 nan 0.000 0.559 146 D N -0.356 120.087 120.400 0.071 0.000 2.325 146 D HA 0.051 4.690 4.640 -0.001 0.000 0.234 146 D C -0.203 176.130 176.300 0.055 0.000 1.122 146 D CA -0.282 53.752 54.000 0.057 0.000 0.850 146 D CB 0.192 41.003 40.800 0.019 0.000 0.921 146 D HN 0.104 nan 8.370 nan 0.000 0.513 147 D N 0.564 121.004 120.400 0.066 0.000 2.420 147 D HA 0.157 4.796 4.640 -0.001 0.000 0.255 147 D C 1.127 177.511 176.300 0.139 0.000 1.185 147 D CA -0.542 53.485 54.000 0.046 0.000 0.904 147 D CB 0.955 41.740 40.800 -0.026 0.000 1.102 147 D HN -0.015 nan 8.370 nan 0.000 0.534 148 L N 2.105 123.424 121.223 0.160 0.000 2.201 148 L HA -0.142 4.198 4.340 -0.001 0.000 0.212 148 L C 2.359 179.319 176.870 0.151 0.000 1.105 148 L CA 1.137 56.099 54.840 0.203 0.000 0.775 148 L CB -0.217 41.888 42.059 0.077 0.000 0.913 148 L HN 0.369 nan 8.230 nan 0.000 0.440 149 S N -1.078 114.669 115.700 0.079 0.000 2.428 149 S HA -0.196 4.273 4.470 -0.001 0.000 0.230 149 S C 1.833 176.458 174.600 0.040 0.000 1.014 149 S CA 0.670 58.901 58.200 0.051 0.000 0.957 149 S CB -0.177 63.037 63.200 0.024 0.000 0.784 149 S HN 0.478 nan 8.310 nan 0.000 0.499 150 Q N -0.144 119.661 119.800 0.009 0.000 2.083 150 Q HA -0.013 4.326 4.340 -0.001 0.000 0.198 150 Q C 1.805 177.775 176.000 -0.050 0.000 0.969 150 Q CA 1.467 57.232 55.803 -0.062 0.000 0.838 150 Q CB -0.252 28.392 28.738 -0.157 0.000 0.900 150 Q HN 0.748 nan 8.270 nan 0.000 0.436 151 W N 1.241 122.526 121.300 -0.026 0.000 2.335 151 W HA -0.202 4.457 4.660 -0.001 0.000 0.311 151 W C 2.193 178.698 176.519 -0.023 0.000 1.213 151 W CA 1.175 58.501 57.345 -0.032 0.000 1.274 151 W CB -0.059 29.361 29.460 -0.067 0.000 1.148 151 W HN 0.258 nan 8.180 nan 0.000 0.498 152 E N 0.619 120.943 120.200 0.205 0.000 2.077 152 E HA -0.269 4.080 4.350 -0.001 0.000 0.193 152 E C 2.298 178.945 176.600 0.078 0.000 0.989 152 E CA 1.492 57.960 56.400 0.114 0.000 0.800 152 E CB -0.180 29.566 29.700 0.075 0.000 0.746 152 E HN 0.170 nan 8.360 nan 0.000 0.452 153 R N 0.026 120.560 120.500 0.057 0.000 2.081 153 R HA -0.114 4.226 4.340 -0.001 0.000 0.235 153 R C 2.166 178.485 176.300 0.032 0.000 1.131 153 R CA 1.406 57.525 56.100 0.032 0.000 0.960 153 R CB -0.324 29.983 30.300 0.013 0.000 0.856 153 R HN 0.196 nan 8.270 nan 0.000 0.436 154 A N 0.675 123.517 122.820 0.035 0.000 2.015 154 A HA -0.017 4.303 4.320 -0.001 0.000 0.219 154 A C 1.847 179.468 177.584 0.063 0.000 1.163 154 A CA 0.860 52.916 52.037 0.031 0.000 0.646 154 A CB -0.143 18.857 19.000 -0.000 0.000 0.806 154 A HN 0.369 nan 8.150 nan 0.000 0.448 155 L N 0.502 121.782 121.223 0.093 0.000 2.653 155 L HA 0.062 4.401 4.340 -0.001 0.000 0.231 155 L C 1.518 178.424 176.870 0.061 0.000 1.153 155 L CA 0.513 55.408 54.840 0.092 0.000 0.933 155 L CB 0.224 42.357 42.059 0.124 0.000 1.175 155 L HN 0.434 nan 8.230 nan 0.000 0.473 156 S N -1.197 114.532 115.700 0.047 0.000 2.605 156 S HA 0.172 4.641 4.470 -0.001 0.000 0.217 156 S C 0.442 175.059 174.600 0.028 0.000 0.958 156 S CA -0.420 57.801 58.200 0.035 0.000 0.919 156 S CB -0.383 62.835 63.200 0.029 0.000 0.780 156 S HN 0.136 nan 8.310 nan 0.000 0.507 157 V N -2.785 117.146 119.914 0.029 0.000 2.960 157 V HA 0.713 4.833 4.120 -0.001 0.000 0.315 157 V C -3.257 172.854 176.094 0.028 0.000 1.087 157 V CA -3.159 59.155 62.300 0.024 0.000 0.982 157 V CB 0.813 32.647 31.823 0.018 0.000 1.039 157 V HN -0.130 nan 8.190 nan 0.000 0.437 158 P HA 0.356 nan 4.420 nan 0.000 0.265 158 P C -0.458 176.859 177.300 0.028 0.000 1.193 158 P CA 0.570 63.685 63.100 0.026 0.000 0.765 158 P CB 0.395 32.106 31.700 0.020 0.000 0.823 159 T N 2.699 117.274 114.554 0.035 0.000 2.912 159 T HA 0.213 4.562 4.350 -0.001 0.000 0.299 159 T C 0.544 175.268 174.700 0.040 0.000 1.052 159 T CA -0.290 61.834 62.100 0.040 0.000 0.996 159 T CB 2.024 70.927 68.868 0.058 0.000 1.070 159 T HN 0.157 nan 8.240 nan 0.000 0.465 160 Q N 0.884 120.704 119.800 0.034 0.000 2.297 160 Q HA 0.554 4.893 4.340 -0.001 0.000 0.203 160 Q C 0.460 176.482 176.000 0.036 0.000 0.931 160 Q CA 0.477 56.298 55.803 0.030 0.000 0.885 160 Q CB 0.571 29.322 28.738 0.021 0.000 0.991 160 Q HN 0.821 nan 8.270 nan 0.000 0.498 161 A N -0.779 122.071 122.820 0.049 0.000 2.572 161 A HA 0.723 5.042 4.320 -0.001 0.000 0.295 161 A C -1.467 176.185 177.584 0.113 0.000 1.072 161 A CA -0.582 51.494 52.037 0.065 0.000 0.691 161 A CB 1.704 20.735 19.000 0.051 0.000 1.291 161 A HN -0.047 nan 8.150 nan 0.000 0.404 162 V N 1.280 121.282 119.914 0.147 0.000 2.656 162 V HA 0.708 4.827 4.120 -0.001 0.000 0.307 162 V C -1.361 174.914 176.094 0.301 0.000 1.051 162 V CA -0.368 62.081 62.300 0.248 0.000 0.893 162 V CB 1.715 33.666 31.823 0.214 0.000 0.999 162 V HN 0.884 nan 8.190 nan 0.000 0.426 163 F N 6.874 126.968 119.950 0.239 0.000 2.556 163 F HA 0.894 5.420 4.527 -0.001 0.000 0.314 163 F C -1.088 174.943 175.800 0.386 0.000 1.106 163 F CA -1.026 57.073 58.000 0.164 0.000 0.911 163 F CB 1.716 40.791 39.000 0.125 0.000 1.190 163 F HN 0.496 nan 8.300 nan 0.000 0.448 164 F N 1.683 121.275 119.950 -0.596 0.000 2.713 164 F HA 0.672 5.198 4.527 -0.001 0.000 0.311 164 F C -1.893 173.587 175.800 -0.533 0.000 1.141 164 F CA -1.117 56.656 58.000 -0.378 0.000 0.939 164 F CB 1.246 40.270 39.000 0.040 0.000 1.325 164 F HN 0.401 nan 8.300 nan 0.000 0.453 165 E N 0.413 120.599 120.200 -0.023 0.000 2.212 165 E HA 0.603 4.952 4.350 -0.001 0.000 0.268 165 E C -1.351 175.329 176.600 0.134 0.000 0.902 165 E CA -1.152 55.235 56.400 -0.021 0.000 0.779 165 E CB 2.321 32.052 29.700 0.052 0.000 1.172 165 E HN 0.732 nan 8.360 nan 0.000 0.409 166 T N 2.767 117.356 114.554 0.058 0.000 3.105 166 T HA 0.368 4.717 4.350 -0.001 0.000 0.321 166 T C -2.794 171.832 174.700 -0.123 0.000 1.135 166 T CA -1.943 60.154 62.100 -0.005 0.000 1.053 166 T CB 1.227 70.140 68.868 0.075 0.000 1.133 166 T HN 0.103 nan 8.240 nan 0.000 0.463 167 P HA 0.237 nan 4.420 nan 0.000 0.270 167 P C -0.333 176.704 177.300 -0.439 0.000 1.223 167 P CA -0.327 62.456 63.100 -0.529 0.000 0.785 167 P CB 0.452 31.529 31.700 -1.038 0.000 0.923 168 S N 1.224 116.802 115.700 -0.204 0.000 2.634 168 S HA 0.308 4.778 4.470 -0.001 0.000 0.261 168 S C -0.059 174.562 174.600 0.035 0.000 1.271 168 S CA -0.410 57.778 58.200 -0.020 0.000 0.985 168 S CB 0.313 63.541 63.200 0.047 0.000 0.968 168 S HN 0.485 nan 8.310 nan 0.000 0.568 169 N N 0.706 119.518 118.700 0.188 0.000 2.397 169 N HA 0.401 5.141 4.740 -0.001 0.000 0.291 169 N C -2.368 173.282 175.510 0.232 0.000 1.065 169 N CA -1.684 51.532 53.050 0.277 0.000 0.884 169 N CB 2.193 40.927 38.487 0.413 0.000 1.551 169 N HN 0.502 nan 8.380 nan 0.000 0.487 170 P HA 0.153 nan 4.420 nan 0.000 0.252 170 P C 0.978 178.364 177.300 0.144 0.000 1.218 170 P CA 0.138 63.320 63.100 0.136 0.000 0.807 170 P CB 0.579 32.296 31.700 0.029 0.000 1.072 171 M N -0.531 119.116 119.600 0.078 0.000 2.562 171 M HA 0.050 4.529 4.480 -0.001 0.000 0.257 171 M C 0.613 176.952 176.300 0.065 0.000 1.099 171 M CA 0.637 55.971 55.300 0.056 0.000 1.099 171 M CB -1.216 31.374 32.600 -0.017 0.000 1.427 171 M HN 0.098 nan 8.290 nan 0.000 0.489 172 Q N 0.161 120.008 119.800 0.077 0.000 2.487 172 Q HA -0.135 4.204 4.340 -0.001 0.000 0.279 172 Q C 0.156 176.222 176.000 0.109 0.000 1.228 172 Q CA 0.512 56.344 55.803 0.049 0.000 0.873 172 Q CB -2.307 26.544 28.738 0.188 0.000 1.260 172 Q HN 0.444 nan 8.270 nan 0.000 0.471 173 S N 0.225 115.945 115.700 0.034 0.000 2.564 173 S HA 0.515 4.984 4.470 -0.001 0.000 0.278 173 S C 0.288 174.896 174.600 0.013 0.000 1.333 173 S CA -0.599 57.627 58.200 0.043 0.000 1.048 173 S CB 0.579 63.784 63.200 0.008 0.000 0.900 173 S HN 0.334 nan 8.310 nan 0.000 0.505 174 L N 4.009 125.249 121.223 0.029 0.000 2.344 174 L HA 0.639 4.978 4.340 -0.001 0.000 0.272 174 L C -0.599 176.255 176.870 -0.027 0.000 1.035 174 L CA -1.179 53.646 54.840 -0.025 0.000 0.807 174 L CB 1.667 43.695 42.059 -0.051 0.000 1.237 174 L HN 0.370 nan 8.230 nan 0.000 0.442 175 V N 0.360 120.234 119.914 -0.067 0.000 2.459 175 V HA 0.151 4.270 4.120 -0.001 0.000 0.295 175 V C -0.184 175.790 176.094 -0.199 0.000 1.029 175 V CA -0.630 61.564 62.300 -0.177 0.000 0.874 175 V CB 1.849 33.401 31.823 -0.451 0.000 0.985 175 V HN 0.652 nan 8.190 nan 0.000 0.438 176 D N 4.030 124.303 120.400 -0.212 0.000 2.367 176 D HA 0.152 4.791 4.640 -0.001 0.000 0.255 176 D C 1.198 177.341 176.300 -0.260 0.000 1.300 176 D CA 0.232 54.118 54.000 -0.189 0.000 0.959 176 D CB 0.627 41.337 40.800 -0.150 0.000 1.064 176 D HN 0.480 nan 8.370 nan 0.000 0.509 177 I N 2.811 123.284 120.570 -0.163 0.000 2.118 177 I HA -0.335 3.835 4.170 -0.001 0.000 0.241 177 I C 2.366 178.401 176.117 -0.138 0.000 1.070 177 I CA 1.333 62.578 61.300 -0.092 0.000 1.327 177 I CB -0.266 37.736 38.000 0.004 0.000 1.034 177 I HN 0.393 nan 8.210 nan 0.000 0.405 178 A N 0.635 123.382 122.820 -0.122 0.000 1.930 178 A HA -0.085 4.234 4.320 -0.001 0.000 0.217 178 A C 2.537 180.030 177.584 -0.152 0.000 1.175 178 A CA 1.759 53.727 52.037 -0.116 0.000 0.627 178 A CB -0.771 18.182 19.000 -0.078 0.000 0.815 178 A HN 0.454 nan 8.150 nan 0.000 0.443 179 A N -0.595 122.123 122.820 -0.171 0.000 1.898 179 A HA 0.028 4.347 4.320 -0.001 0.000 0.216 179 A C 2.199 179.624 177.584 -0.264 0.000 1.181 179 A CA 1.714 53.643 52.037 -0.181 0.000 0.620 179 A CB -0.852 18.054 19.000 -0.157 0.000 0.819 179 A HN 0.373 nan 8.150 nan 0.000 0.442 180 V N 0.805 120.473 119.914 -0.409 0.000 2.427 180 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 180 V C 2.985 178.822 176.094 -0.427 0.000 1.051 180 V CA 2.361 64.297 62.300 -0.606 0.000 1.048 180 V CB -1.369 29.773 31.823 -1.135 0.000 0.666 180 V HN 0.850 nan 8.190 nan 0.000 0.456 181 T N -1.171 113.174 114.554 -0.348 0.000 2.788 181 T HA -0.173 4.176 4.350 -0.001 0.000 0.268 181 T C 1.939 176.342 174.700 -0.496 0.000 1.044 181 T CA 1.863 63.703 62.100 -0.434 0.000 1.139 181 T CB -0.515 68.130 68.868 -0.371 0.000 0.867 181 T HN 0.594 nan 8.240 nan 0.000 0.454 182 E N 1.697 121.731 120.200 -0.276 0.000 2.051 182 E HA 0.063 4.412 4.350 -0.001 0.000 0.192 182 E C 2.244 178.780 176.600 -0.105 0.000 0.991 182 E CA 1.339 57.651 56.400 -0.148 0.000 0.799 182 E CB -1.123 28.526 29.700 -0.086 0.000 0.748 182 E HN 0.683 nan 8.360 nan 0.000 0.449 183 L N -0.133 121.015 121.223 -0.125 0.000 2.046 183 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 183 L C 3.141 179.984 176.870 -0.044 0.000 1.077 183 L CA 1.221 56.021 54.840 -0.066 0.000 0.747 183 L CB -0.371 41.652 42.059 -0.060 0.000 0.896 183 L HN 0.454 nan 8.230 nan 0.000 0.432 184 A N -0.691 122.063 122.820 -0.111 0.000 1.902 184 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 184 A C 2.015 179.630 177.584 0.052 0.000 1.181 184 A CA 1.632 53.640 52.037 -0.050 0.000 0.623 184 A CB -0.976 17.953 19.000 -0.119 0.000 0.818 184 A HN 0.505 nan 8.150 nan 0.000 0.443 185 H N -0.830 118.229 119.070 -0.020 0.000 2.421 185 H HA 0.001 4.556 4.556 -0.001 0.000 0.298 185 H C 2.446 177.770 175.328 -0.006 0.000 1.087 185 H CA 0.565 56.604 56.048 -0.014 0.000 1.330 185 H CB 0.030 29.781 29.762 -0.019 0.000 1.388 185 H HN 0.573 nan 8.280 nan 0.000 0.526 186 A N 1.035 123.921 122.820 0.111 0.000 1.972 186 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 186 A C 2.339 179.954 177.584 0.053 0.000 1.169 186 A CA 1.359 53.434 52.037 0.063 0.000 0.635 186 A CB -0.490 18.533 19.000 0.040 0.000 0.810 186 A HN 0.453 nan 8.150 nan 0.000 0.446 187 A N -2.023 120.832 122.820 0.058 0.000 2.275 187 A HA 0.437 4.756 4.320 -0.001 0.000 0.212 187 A C 1.676 179.290 177.584 0.050 0.000 1.201 187 A CA 1.082 53.150 52.037 0.051 0.000 0.843 187 A CB -0.796 18.238 19.000 0.057 0.000 0.873 187 A HN 1.847 nan 8.150 nan 0.000 0.492 188 G N -1.922 106.912 108.800 0.057 0.000 2.143 188 G HA2 0.096 4.056 3.960 -0.001 0.000 0.249 188 G HA3 0.096 4.056 3.960 -0.001 0.000 0.249 188 G C 0.365 175.295 174.900 0.051 0.000 0.981 188 G CA 0.332 45.458 45.100 0.043 0.000 0.665 188 G HN 1.551 nan 8.290 nan 0.000 0.528 189 A N -0.216 122.653 122.820 0.083 0.000 2.293 189 A HA 0.761 5.080 4.320 -0.001 0.000 0.302 189 A C 0.348 177.997 177.584 0.107 0.000 1.119 189 A CA -0.408 51.678 52.037 0.080 0.000 0.823 189 A CB 0.816 19.866 19.000 0.082 0.000 1.097 189 A HN 0.168 nan 8.150 nan 0.000 0.491 190 K N 1.039 121.471 120.400 0.053 0.000 2.156 190 K HA 0.456 4.775 4.320 -0.001 0.000 0.271 190 K C -0.987 175.624 176.600 0.018 0.000 0.995 190 K CA -0.470 55.834 56.287 0.028 0.000 0.890 190 K CB 1.762 34.214 32.500 -0.079 0.000 1.073 190 K HN 0.364 nan 8.250 nan 0.000 0.454 191 V N 3.308 123.226 119.914 0.007 0.000 2.383 191 V HA 0.186 4.305 4.120 -0.001 0.000 0.275 191 V C 0.018 176.030 176.094 -0.136 0.000 1.036 191 V CA -0.875 61.390 62.300 -0.057 0.000 0.889 191 V CB 1.375 33.137 31.823 -0.101 0.000 0.985 191 V HN 0.370 nan 8.190 nan 0.000 0.459 192 V N 6.651 126.490 119.914 -0.125 0.000 2.370 192 V HA 0.442 4.562 4.120 -0.001 0.000 0.283 192 V C -0.275 175.562 176.094 -0.428 0.000 1.023 192 V CA -0.546 61.672 62.300 -0.137 0.000 0.857 192 V CB 1.501 33.410 31.823 0.142 0.000 0.985 192 V HN 0.692 nan 8.190 nan 0.000 0.443 193 L N 4.436 125.346 121.223 -0.521 0.000 2.305 193 L HA 0.635 4.975 4.340 -0.001 0.000 0.284 193 L C -0.326 176.236 176.870 -0.514 0.000 1.013 193 L CA 0.010 54.404 54.840 -0.745 0.000 0.819 193 L CB 1.525 43.172 42.059 -0.688 0.000 1.227 193 L HN 0.669 nan 8.230 nan 0.000 0.417 194 D N 3.167 123.246 120.400 -0.535 0.000 2.316 194 D HA 0.116 4.756 4.640 -0.001 0.000 0.245 194 D C -0.298 175.854 176.300 -0.247 0.000 1.171 194 D CA 0.144 53.970 54.000 -0.289 0.000 0.856 194 D CB 0.888 41.600 40.800 -0.147 0.000 1.090 194 D HN 0.643 nan 8.370 nan 0.000 0.476 195 N N 3.178 121.710 118.700 -0.281 0.000 2.328 195 N HA 0.060 4.799 4.740 -0.001 0.000 0.247 195 N C 1.097 176.669 175.510 0.104 0.000 1.165 195 N CA -0.173 52.790 53.050 -0.146 0.000 0.873 195 N CB 0.448 38.787 38.487 -0.247 0.000 1.125 195 N HN 0.178 nan 8.380 nan 0.000 0.513 196 V N 0.011 120.003 119.914 0.129 0.000 2.358 196 V HA -0.177 3.943 4.120 -0.001 0.000 0.246 196 V C 1.846 178.094 176.094 0.256 0.000 1.047 196 V CA 1.424 63.867 62.300 0.239 0.000 1.035 196 V CB -0.795 31.116 31.823 0.146 0.000 0.658 196 V HN 0.392 nan 8.190 nan 0.000 0.452 197 F N 1.223 121.232 119.950 0.098 0.000 2.134 197 F HA -0.175 4.351 4.527 -0.001 0.000 0.299 197 F C 2.229 178.054 175.800 0.041 0.000 1.097 197 F CA 1.734 59.797 58.000 0.106 0.000 1.264 197 F CB -0.157 38.896 39.000 0.088 0.000 1.001 197 F HN 0.096 nan 8.300 nan 0.000 0.479 198 A N -0.545 122.467 122.820 0.320 0.000 1.984 198 A HA 0.167 4.486 4.320 -0.001 0.000 0.214 198 A C 0.846 178.422 177.584 -0.012 0.000 1.173 198 A CA 1.061 53.197 52.037 0.166 0.000 0.673 198 A CB -1.066 18.024 19.000 0.151 0.000 0.830 198 A HN 0.669 nan 8.150 nan 0.000 0.453 199 T N -4.617 109.958 114.554 0.034 0.000 0.541 199 T HA -0.115 4.234 4.350 -0.001 0.000 0.774 199 T C -1.842 172.897 174.700 0.066 0.000 0.992 199 T CA 0.297 62.401 62.100 0.006 0.000 4.077 199 T CB -1.614 67.124 68.868 -0.216 0.000 2.303 199 T HN 0.168 nan 8.240 nan 0.000 0.398 200 P HA 0.127 nan 4.420 nan 0.000 0.234 200 P C 1.714 179.021 177.300 0.011 0.000 1.167 200 P CA 0.425 63.562 63.100 0.062 0.000 0.763 200 P CB -0.089 31.610 31.700 -0.003 0.000 0.835 201 L N -1.194 120.011 121.223 -0.030 0.000 2.179 201 L HA -0.011 4.328 4.340 -0.001 0.000 0.208 201 L C 2.364 179.216 176.870 -0.030 0.000 1.096 201 L CA 1.610 56.429 54.840 -0.034 0.000 0.779 201 L CB -0.831 41.196 42.059 -0.055 0.000 0.922 201 L HN -0.081 nan 8.230 nan 0.000 0.443 202 L N -2.140 119.064 121.223 -0.032 0.000 2.701 202 L HA 0.252 4.591 4.340 -0.001 0.000 0.238 202 L C 0.360 177.222 176.870 -0.013 0.000 1.106 202 L CA -0.032 54.783 54.840 -0.041 0.000 0.898 202 L CB 0.445 42.462 42.059 -0.070 0.000 1.188 202 L HN 0.189 nan 8.230 nan 0.000 0.508 203 Q N 0.866 120.673 119.800 0.013 0.000 2.313 203 Q HA 0.288 4.627 4.340 -0.001 0.000 0.260 203 Q C -1.566 174.453 176.000 0.030 0.000 0.972 203 Q CA -0.323 55.491 55.803 0.018 0.000 0.886 203 Q CB 1.840 30.588 28.738 0.016 0.000 1.373 203 Q HN 0.114 nan 8.270 nan 0.000 0.416 204 Q N 2.145 121.959 119.800 0.023 0.000 2.357 204 Q HA 0.372 4.711 4.340 -0.001 0.000 0.266 204 Q C 0.509 176.507 176.000 -0.005 0.000 1.021 204 Q CA -0.208 55.618 55.803 0.039 0.000 0.784 204 Q CB 1.837 30.616 28.738 0.069 0.000 1.243 204 Q HN 0.930 nan 8.270 nan 0.000 0.465 205 G N 1.544 110.291 108.800 -0.088 0.000 2.453 205 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.215 205 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.215 205 G C 0.777 175.567 174.900 -0.183 0.000 1.147 205 G CA 0.180 45.164 45.100 -0.193 0.000 0.802 205 G HN 0.491 nan 8.290 nan 0.000 0.535 206 F N 1.803 121.748 119.950 -0.009 0.000 2.126 206 F HA 0.047 4.574 4.527 -0.001 0.000 0.299 206 F C 0.069 175.870 175.800 0.001 0.000 1.096 206 F CA 0.968 58.967 58.000 -0.003 0.000 1.255 206 F CB -1.242 37.762 39.000 0.006 0.000 0.997 206 F HN 0.143 nan 8.300 nan 0.000 0.479 207 P HA -0.058 nan 4.420 nan 0.000 0.234 207 P C 1.033 178.363 177.300 0.050 0.000 1.167 207 P CA 1.198 64.353 63.100 0.092 0.000 0.763 207 P CB -0.047 31.693 31.700 0.067 0.000 0.835 208 L N -2.747 118.491 121.223 0.025 0.000 2.728 208 L HA 0.372 4.711 4.340 -0.001 0.000 0.238 208 L C 1.377 178.238 176.870 -0.014 0.000 1.143 208 L CA 0.430 55.265 54.840 -0.008 0.000 0.937 208 L CB -0.341 41.697 42.059 -0.034 0.000 1.225 208 L HN 0.094 nan 8.230 nan 0.000 0.507 209 G N 0.500 109.317 108.800 0.029 0.000 2.176 209 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.232 209 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.232 209 G C 0.398 175.337 174.900 0.066 0.000 0.986 209 G CA 0.049 45.194 45.100 0.076 0.000 0.643 209 G HN 0.191 nan 8.290 nan 0.000 0.522 210 V N -1.375 118.502 119.914 -0.061 0.000 2.872 210 V HA 0.450 4.569 4.120 -0.001 0.000 0.307 210 V C 1.078 177.134 176.094 -0.064 0.000 1.072 210 V CA 0.956 63.163 62.300 -0.156 0.000 1.148 210 V CB 1.117 32.721 31.823 -0.366 0.000 0.954 210 V HN 0.182 nan 8.190 nan 0.000 0.490 211 D N 1.998 122.374 120.400 -0.040 0.000 2.262 211 D HA 0.155 4.794 4.640 -0.001 0.000 0.212 211 D C 0.228 176.570 176.300 0.069 0.000 0.964 211 D CA 1.102 55.129 54.000 0.044 0.000 0.875 211 D CB 0.949 41.737 40.800 -0.020 0.000 0.996 211 D HN 0.501 nan 8.370 nan 0.000 0.497 212 V N 1.515 121.367 119.914 -0.103 0.000 2.760 212 V HA 0.312 4.431 4.120 -0.001 0.000 0.309 212 V C -0.329 175.643 176.094 -0.203 0.000 1.077 212 V CA -0.834 61.444 62.300 -0.037 0.000 0.910 212 V CB 2.874 34.657 31.823 -0.066 0.000 1.008 212 V HN -0.238 nan 8.190 nan 0.000 0.424 213 V N 4.652 124.487 119.914 -0.132 0.000 2.495 213 V HA 0.626 4.745 4.120 -0.001 0.000 0.298 213 V C -0.274 175.735 176.094 -0.143 0.000 1.031 213 V CA -0.667 61.472 62.300 -0.268 0.000 0.871 213 V CB 2.083 33.689 31.823 -0.361 0.000 0.988 213 V HN 0.785 nan 8.190 nan 0.000 0.432 214 V N 2.575 122.355 119.914 -0.222 0.000 2.513 214 V HA 0.722 4.841 4.120 -0.001 0.000 0.299 214 V C -1.256 174.656 176.094 -0.303 0.000 1.035 214 V CA -0.664 61.572 62.300 -0.107 0.000 0.889 214 V CB 1.404 33.269 31.823 0.070 0.000 0.988 214 V HN 0.643 nan 8.190 nan 0.000 0.440 215 Y N 1.803 122.180 120.300 0.128 0.000 2.509 215 Y HA 0.676 5.226 4.550 -0.001 0.000 0.341 215 Y C 0.713 176.689 175.900 0.126 0.000 1.038 215 Y CA -0.580 57.592 58.100 0.120 0.000 1.089 215 Y CB 2.274 40.814 38.460 0.133 0.000 1.241 215 Y HN 0.817 nan 8.280 nan 0.000 0.468 216 S N 0.537 116.411 115.700 0.291 0.000 2.475 216 S HA 0.371 4.840 4.470 -0.001 0.000 0.281 216 S C 1.053 175.778 174.600 0.208 0.000 1.198 216 S CA -0.065 58.253 58.200 0.197 0.000 1.063 216 S CB 0.471 63.729 63.200 0.096 0.000 0.972 216 S HN 0.973 nan 8.310 nan 0.000 0.486 217 G N 3.780 112.685 108.800 0.176 0.000 2.572 217 G HA2 0.047 4.006 3.960 -0.001 0.000 0.216 217 G HA3 0.047 4.006 3.960 -0.001 0.000 0.216 217 G C 0.705 175.642 174.900 0.062 0.000 1.133 217 G CA 0.257 45.433 45.100 0.126 0.000 0.791 217 G HN 0.682 nan 8.290 nan 0.000 0.538 221 I N 1.531 122.164 120.570 0.105 0.000 2.118 221 I HA -0.295 3.875 4.170 -0.001 0.000 0.241 221 I C 2.476 178.607 176.117 0.023 0.000 1.070 221 I CA 2.201 63.533 61.300 0.053 0.000 1.327 221 I CB -0.064 37.982 38.000 0.077 0.000 1.034 221 I HN 0.371 nan 8.210 nan 0.000 0.405 222 D N 0.471 120.874 120.400 0.005 0.000 2.092 222 D HA -0.187 4.452 4.640 -0.001 0.000 0.193 222 D C 1.839 178.117 176.300 -0.038 0.000 0.994 222 D CA 2.001 55.980 54.000 -0.034 0.000 0.828 222 D CB -0.180 40.601 40.800 -0.031 0.000 0.963 222 D HN 0.475 nan 8.370 nan 0.000 0.450 223 G N 0.102 108.884 108.800 -0.029 0.000 2.212 223 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.266 223 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.266 223 G C 0.857 175.729 174.900 -0.047 0.000 0.978 223 G CA 0.721 45.800 45.100 -0.036 0.000 0.632 223 G HN 0.533 nan 8.290 nan 0.000 0.537 224 Q N -1.270 118.504 119.800 -0.044 0.000 2.023 224 Q HA 0.442 4.782 4.340 -0.001 0.000 0.211 224 Q C 1.328 177.315 176.000 -0.023 0.000 0.787 224 Q CA 0.326 56.108 55.803 -0.036 0.000 1.035 224 Q CB 1.272 29.988 28.738 -0.037 0.000 1.221 224 Q HN 1.492 nan 8.270 nan 0.000 0.443 225 G N 1.730 110.516 108.800 -0.023 0.000 2.160 225 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.251 225 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.251 225 G C 0.724 175.630 174.900 0.010 0.000 1.008 225 G CA 0.815 45.910 45.100 -0.007 0.000 0.724 225 G HN 0.319 nan 8.290 nan 0.000 0.514 226 R N -0.867 119.641 120.500 0.013 0.000 2.064 226 R HA 0.437 4.776 4.340 -0.001 0.000 0.221 226 R C 1.531 177.867 176.300 0.061 0.000 1.136 226 R CA 1.598 57.723 56.100 0.041 0.000 0.980 226 R CB 0.042 30.369 30.300 0.046 0.000 0.876 226 R HN 0.927 nan 8.270 nan 0.000 0.437 227 V N -1.726 118.218 119.914 0.050 0.000 3.158 227 V HA 0.531 4.650 4.120 -0.001 0.000 0.311 227 V C -0.859 175.260 176.094 0.041 0.000 1.181 227 V CA -1.336 61.003 62.300 0.066 0.000 1.054 227 V CB 1.774 33.657 31.823 0.100 0.000 1.085 227 V HN -0.101 nan 8.190 nan 0.000 0.446 228 L N 1.276 122.528 121.223 0.048 0.000 2.352 228 L HA 1.044 5.383 4.340 -0.001 0.000 0.269 228 L C 0.634 177.519 176.870 0.025 0.000 1.034 228 L CA 0.817 55.684 54.840 0.045 0.000 0.806 228 L CB 1.633 43.730 42.059 0.062 0.000 1.244 228 L HN 1.327 nan 8.230 nan 0.000 0.447 229 G N -0.430 108.391 108.800 0.034 0.000 2.368 229 G HA2 0.583 4.543 3.960 -0.001 0.000 0.293 229 G HA3 0.583 4.543 3.960 -0.001 0.000 0.293 229 G C -1.492 173.463 174.900 0.093 0.000 1.467 229 G CA -0.006 45.108 45.100 0.023 0.000 0.804 229 G HN 0.855 nan 8.290 nan 0.000 0.535 230 G N -1.610 107.277 108.800 0.146 0.000 2.687 230 G HA2 1.048 5.007 3.960 -0.001 0.000 0.291 230 G HA3 1.048 5.007 3.960 -0.001 0.000 0.291 230 G C -1.099 174.003 174.900 0.337 0.000 1.420 230 G CA 0.260 45.500 45.100 0.234 0.000 0.796 230 G HN 2.048 nan 8.290 nan 0.000 0.485 231 A N -0.546 122.488 122.820 0.357 0.000 2.547 231 A HA 0.757 5.077 4.320 -0.001 0.000 0.297 231 A C -1.263 176.503 177.584 0.303 0.000 1.056 231 A CA -0.532 51.728 52.037 0.371 0.000 0.688 231 A CB 1.183 20.424 19.000 0.400 0.000 1.282 231 A HN 0.762 nan 8.150 nan 0.000 0.400 232 I N 1.704 122.446 120.570 0.286 0.000 2.378 232 I HA 0.478 4.647 4.170 -0.001 0.000 0.291 232 I C -1.175 175.109 176.117 0.279 0.000 0.992 232 I CA -0.549 60.903 61.300 0.254 0.000 1.154 232 I CB 1.575 39.697 38.000 0.205 0.000 1.315 232 I HN 0.452 nan 8.210 nan 0.000 0.448 233 L N 5.879 127.279 121.223 0.294 0.000 2.362 233 L HA 0.935 5.274 4.340 -0.001 0.000 0.275 233 L C 0.320 177.443 176.870 0.422 0.000 0.998 233 L CA 0.078 55.113 54.840 0.325 0.000 0.820 233 L CB 1.897 44.176 42.059 0.366 0.000 1.270 233 L HN 0.818 nan 8.230 nan 0.000 0.415 234 G N 0.885 109.876 108.800 0.318 0.000 2.428 234 G HA2 0.227 4.186 3.960 -0.001 0.000 0.305 234 G HA3 0.227 4.186 3.960 -0.001 0.000 0.305 234 G C -1.740 173.256 174.900 0.160 0.000 1.260 234 G CA -0.780 44.505 45.100 0.309 0.000 0.853 234 G HN 0.314 nan 8.290 nan 0.000 0.480 235 D N -0.155 120.346 120.400 0.169 0.000 2.472 235 D HA 0.237 4.876 4.640 -0.001 0.000 0.237 235 D C 1.558 177.938 176.300 0.135 0.000 1.141 235 D CA -0.163 53.903 54.000 0.109 0.000 0.875 235 D CB 1.530 42.392 40.800 0.104 0.000 1.192 235 D HN 0.485 nan 8.370 nan 0.000 0.450 236 R N 1.970 122.510 120.500 0.067 0.000 2.112 236 R HA -0.205 4.134 4.340 -0.001 0.000 0.242 236 R C 1.751 178.095 176.300 0.073 0.000 1.137 236 R CA 1.713 57.846 56.100 0.056 0.000 0.944 236 R CB -0.153 30.160 30.300 0.022 0.000 0.857 236 R HN 0.551 nan 8.270 nan 0.000 0.435 237 E N -0.637 119.610 120.200 0.077 0.000 2.058 237 E HA -0.264 4.085 4.350 -0.001 0.000 0.194 237 E C 1.835 178.503 176.600 0.112 0.000 0.997 237 E CA 1.717 58.163 56.400 0.077 0.000 0.801 237 E CB -0.475 29.266 29.700 0.068 0.000 0.746 237 E HN 0.535 nan 8.360 nan 0.000 0.450 238 Y N 1.240 121.554 120.300 0.023 0.000 2.133 238 Y HA -0.185 4.364 4.550 -0.001 0.000 0.287 238 Y C 2.354 178.277 175.900 0.038 0.000 1.134 238 Y CA 1.688 59.804 58.100 0.026 0.000 1.133 238 Y CB -0.386 38.095 38.460 0.035 0.000 0.987 238 Y HN -0.012 nan 8.280 nan 0.000 0.502 239 I N 0.664 121.226 120.570 -0.015 0.000 2.179 239 I HA -0.281 3.888 4.170 -0.001 0.000 0.242 239 I C 1.528 177.645 176.117 0.001 0.000 1.088 239 I CA 1.750 63.020 61.300 -0.052 0.000 1.357 239 I CB -1.238 36.836 38.000 0.124 0.000 1.051 239 I HN 0.295 nan 8.210 nan 0.000 0.409 240 D N 0.288 120.708 120.400 0.033 0.000 2.347 240 D HA 0.024 4.663 4.640 -0.001 0.000 0.213 240 D C 1.794 178.092 176.300 -0.003 0.000 0.985 240 D CA 0.717 54.742 54.000 0.043 0.000 0.879 240 D CB 0.104 40.927 40.800 0.039 0.000 0.919 240 D HN 0.348 nan 8.370 nan 0.000 0.526 241 G N 1.295 110.072 108.800 -0.038 0.000 2.756 241 G HA2 0.019 3.978 3.960 -0.001 0.000 0.203 241 G HA3 0.019 3.978 3.960 -0.001 0.000 0.203 241 G C -1.152 173.694 174.900 -0.091 0.000 2.015 241 G CA -0.052 45.023 45.100 -0.043 0.000 0.835 241 G HN 0.058 nan 8.290 nan 0.000 0.648 242 P HA 0.020 nan 4.420 nan 0.000 0.219 242 P C 2.012 179.175 177.300 -0.229 0.000 1.150 242 P CA 0.700 63.719 63.100 -0.135 0.000 0.814 242 P CB 0.036 31.685 31.700 -0.085 0.000 0.787 243 V N 0.874 120.565 119.914 -0.372 0.000 2.270 243 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 243 V C 3.032 178.865 176.094 -0.435 0.000 1.043 243 V CA 1.963 63.995 62.300 -0.446 0.000 1.014 243 V CB -1.386 30.088 31.823 -0.583 0.000 0.645 243 V HN 0.141 nan 8.190 nan 0.000 0.447 244 Q N 0.154 119.759 119.800 -0.325 0.000 2.112 244 Q HA -0.320 4.019 4.340 -0.001 0.000 0.206 244 Q C 2.407 178.265 176.000 -0.238 0.000 0.987 244 Q CA 2.376 58.034 55.803 -0.242 0.000 0.858 244 Q CB -0.177 28.555 28.738 -0.011 0.000 0.905 244 Q HN 0.598 nan 8.270 nan 0.000 0.420 245 K N 0.038 120.342 120.400 -0.160 0.000 2.032 245 K HA -0.163 4.157 4.320 -0.001 0.000 0.209 245 K C 2.162 178.733 176.600 -0.048 0.000 1.048 245 K CA 1.374 57.624 56.287 -0.061 0.000 0.927 245 K CB -0.130 32.368 32.500 -0.003 0.000 0.712 245 K HN 0.265 nan 8.250 nan 0.000 0.441 246 L N 0.370 121.524 121.223 -0.116 0.000 2.093 246 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 246 L C 2.644 179.447 176.870 -0.112 0.000 1.085 246 L CA 0.680 55.465 54.840 -0.091 0.000 0.755 246 L CB -0.328 41.657 42.059 -0.124 0.000 0.904 246 L HN 0.262 nan 8.230 nan 0.000 0.435 247 M N -0.458 118.997 119.600 -0.240 0.000 2.086 247 M HA -0.162 4.318 4.480 -0.001 0.000 0.261 247 M C 2.421 178.672 176.300 -0.080 0.000 1.067 247 M CA 1.698 56.861 55.300 -0.229 0.000 1.116 247 M CB -1.122 31.089 32.600 -0.648 0.000 1.348 247 M HN 0.190 nan 8.290 nan 0.000 0.407 248 R N -0.780 119.595 120.500 -0.209 0.000 2.083 248 R HA -0.152 4.187 4.340 -0.001 0.000 0.237 248 R C 1.964 178.074 176.300 -0.316 0.000 1.137 248 R CA 1.258 57.146 56.100 -0.352 0.000 0.951 248 R CB -0.392 29.352 30.300 -0.926 0.000 0.851 248 R HN 0.566 nan 8.270 nan 0.000 0.434 249 H N -1.418 117.655 119.070 0.005 0.000 2.582 249 H HA 0.085 4.640 4.556 -0.001 0.000 0.269 249 H C 1.951 177.300 175.328 0.034 0.000 0.962 249 H CA 1.508 57.567 56.048 0.018 0.000 1.230 249 H CB 0.421 30.170 29.762 -0.021 0.000 1.445 249 H HN 0.294 nan 8.280 nan 0.000 0.528 250 T N -2.688 111.932 114.554 0.110 0.000 3.037 250 T HA 0.208 4.557 4.350 -0.001 0.000 0.251 250 T C 1.658 176.422 174.700 0.106 0.000 1.079 250 T CA 0.585 62.744 62.100 0.099 0.000 1.067 250 T CB 0.027 68.951 68.868 0.093 0.000 0.948 250 T HN 0.410 nan 8.240 nan 0.000 0.496 251 G N 3.517 112.382 108.800 0.108 0.000 2.273 251 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.280 251 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.280 251 G C -1.584 173.394 174.900 0.130 0.000 1.047 251 G CA -0.105 45.077 45.100 0.136 0.000 0.869 251 G HN 0.651 nan 8.290 nan 0.000 0.502 252 P HA 0.537 nan 4.420 nan 0.000 0.225 252 P C 0.360 177.745 177.300 0.141 0.000 1.813 252 P CA 0.491 63.665 63.100 0.125 0.000 1.013 252 P CB 0.257 32.035 31.700 0.130 0.000 1.961 253 A N 2.965 125.873 122.820 0.146 0.000 2.331 253 A HA 0.473 4.792 4.320 -0.001 0.000 0.283 253 A C 0.358 178.024 177.584 0.136 0.000 1.142 253 A CA -0.742 51.396 52.037 0.168 0.000 0.812 253 A CB 0.227 19.324 19.000 0.161 0.000 1.074 253 A HN 0.448 nan 8.150 nan 0.000 0.497 254 M N 3.030 122.717 119.600 0.145 0.000 2.219 254 M HA 0.188 4.667 4.480 -0.001 0.000 0.353 254 M C 0.643 176.989 176.300 0.077 0.000 1.304 254 M CA 0.147 55.504 55.300 0.095 0.000 1.115 254 M CB 0.496 33.141 32.600 0.075 0.000 1.664 254 M HN 0.802 nan 8.290 nan 0.000 0.459 255 S N 3.524 119.266 115.700 0.071 0.000 2.562 255 S HA 0.290 4.759 4.470 -0.001 0.000 0.281 255 S C 1.105 175.757 174.600 0.085 0.000 1.333 255 S CA 0.177 58.426 58.200 0.082 0.000 1.052 255 S CB 1.008 64.277 63.200 0.116 0.000 0.884 255 S HN 0.843 nan 8.310 nan 0.000 0.506 256 A N 4.733 127.603 122.820 0.083 0.000 2.019 256 A HA 0.015 4.334 4.320 -0.001 0.000 0.219 256 A C 1.714 179.371 177.584 0.122 0.000 1.164 256 A CA 1.312 53.400 52.037 0.084 0.000 0.644 256 A CB -0.793 18.245 19.000 0.063 0.000 0.805 256 A HN 0.966 nan 8.150 nan 0.000 0.449 257 F N 1.397 121.365 119.950 0.030 0.000 2.113 257 F HA -0.163 4.363 4.527 -0.002 0.000 0.297 257 F C 1.884 177.771 175.800 0.145 0.000 1.103 257 F CA 2.037 60.080 58.000 0.071 0.000 1.248 257 F CB -0.236 38.777 39.000 0.022 0.000 0.999 257 F HN 0.230 nan 8.300 nan 0.000 0.475 258 N N 0.835 119.655 118.700 0.201 0.000 2.166 258 N HA -0.132 4.607 4.740 -0.001 0.000 0.186 258 N C 1.970 177.405 175.510 -0.124 0.000 1.019 258 N CA 1.463 54.544 53.050 0.051 0.000 0.856 258 N CB -0.835 37.692 38.487 0.067 0.000 0.993 258 N HN 0.411 nan 8.380 nan 0.000 0.426 259 A N -0.004 122.757 122.820 -0.099 0.000 1.908 259 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 259 A C 2.133 179.677 177.584 -0.066 0.000 1.181 259 A CA 1.519 53.460 52.037 -0.160 0.000 0.627 259 A CB -1.262 17.731 19.000 -0.013 0.000 0.818 259 A HN 0.580 nan 8.150 nan 0.000 0.445 260 W N 0.833 122.009 121.300 -0.206 0.000 2.333 260 W HA -0.223 4.436 4.660 -0.002 0.000 0.316 260 W C 1.981 178.353 176.519 -0.245 0.000 1.215 260 W CA 2.600 59.813 57.345 -0.219 0.000 1.278 260 W CB -0.617 28.669 29.460 -0.291 0.000 1.154 260 W HN 0.107 nan 8.180 nan 0.000 0.486 261 V N 1.530 121.195 119.914 -0.415 0.000 2.282 261 V HA -0.364 3.755 4.120 -0.001 0.000 0.249 261 V C 2.359 178.225 176.094 -0.380 0.000 1.057 261 V CA 2.296 64.271 62.300 -0.541 0.000 1.032 261 V CB -1.179 30.458 31.823 -0.311 0.000 0.645 261 V HN 0.310 nan 8.190 nan 0.000 0.447 262 L N -0.318 120.738 121.223 -0.278 0.000 2.109 262 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 262 L C 2.407 179.273 176.870 -0.007 0.000 1.086 262 L CA 1.188 55.916 54.840 -0.188 0.000 0.760 262 L CB -0.641 41.168 42.059 -0.418 0.000 0.910 262 L HN 0.438 nan 8.230 nan 0.000 0.437 263 L N -2.303 118.933 121.223 0.021 0.000 2.217 263 L HA -0.037 4.302 4.340 -0.001 0.000 0.211 263 L C 2.315 179.142 176.870 -0.072 0.000 1.107 263 L CA 1.510 56.414 54.840 0.106 0.000 0.783 263 L CB -0.749 41.388 42.059 0.131 0.000 0.919 263 L HN -0.081 nan 8.230 nan 0.000 0.442 264 K N 1.162 121.416 120.400 -0.243 0.000 2.103 264 K HA 0.125 4.444 4.320 -0.001 0.000 0.204 264 K C 2.210 178.691 176.600 -0.198 0.000 1.052 264 K CA 1.210 57.321 56.287 -0.293 0.000 0.945 264 K CB -1.079 31.089 32.500 -0.552 0.000 0.722 264 K HN 0.513 nan 8.250 nan 0.000 0.443 265 G N 1.623 110.319 108.800 -0.174 0.000 2.440 265 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.218 265 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.218 265 G C 1.635 176.501 174.900 -0.057 0.000 1.154 265 G CA 0.496 45.533 45.100 -0.104 0.000 0.767 265 G HN 0.186 nan 8.290 nan 0.000 0.552 266 L N 0.294 121.499 121.223 -0.030 0.000 2.187 266 L HA -0.106 4.233 4.340 -0.001 0.000 0.213 266 L C 2.844 179.688 176.870 -0.043 0.000 1.100 266 L CA 1.143 55.967 54.840 -0.026 0.000 0.765 266 L CB -0.384 41.668 42.059 -0.012 0.000 0.904 266 L HN 0.357 nan 8.230 nan 0.000 0.437 267 E N -0.495 119.672 120.200 -0.055 0.000 2.153 267 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 267 E C 1.730 178.303 176.600 -0.045 0.000 0.988 267 E CA 1.785 58.154 56.400 -0.052 0.000 0.811 267 E CB -0.099 29.564 29.700 -0.061 0.000 0.746 267 E HN 0.574 nan 8.360 nan 0.000 0.466 268 T N -1.460 113.066 114.554 -0.047 0.000 3.092 268 T HA 0.136 4.485 4.350 -0.001 0.000 0.258 268 T C 1.541 176.225 174.700 -0.026 0.000 1.031 268 T CA -0.339 61.739 62.100 -0.038 0.000 0.925 268 T CB 0.154 68.995 68.868 -0.045 0.000 1.036 268 T HN -0.044 nan 8.240 nan 0.000 0.544 269 L N 2.209 123.416 121.223 -0.027 0.000 2.012 269 L HA 0.107 4.446 4.340 -0.001 0.000 0.210 269 L C 2.752 179.613 176.870 -0.015 0.000 1.073 269 L CA 2.191 57.020 54.840 -0.018 0.000 0.748 269 L CB -1.176 40.864 42.059 -0.033 0.000 0.891 269 L HN 0.357 nan 8.230 nan 0.000 0.431 270 A N 0.256 123.064 122.820 -0.021 0.000 1.873 270 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 270 A C 2.264 179.848 177.584 -0.000 0.000 1.193 270 A CA 2.550 54.578 52.037 -0.015 0.000 0.629 270 A CB -1.241 17.750 19.000 -0.016 0.000 0.826 270 A HN 0.711 nan 8.150 nan 0.000 0.447 271 I N -3.179 117.393 120.570 0.003 0.000 2.394 271 I HA -0.173 3.997 4.170 -0.001 0.000 0.251 271 I C 2.342 178.482 176.117 0.039 0.000 1.136 271 I CA 1.550 62.861 61.300 0.019 0.000 1.425 271 I CB -0.407 37.598 38.000 0.009 0.000 1.079 271 I HN 0.153 nan 8.210 nan 0.000 0.425 272 R N 1.280 121.795 120.500 0.024 0.000 2.066 272 R HA -0.027 4.312 4.340 -0.001 0.000 0.232 272 R C 2.472 178.820 176.300 0.080 0.000 1.131 272 R CA 1.555 57.679 56.100 0.040 0.000 0.955 272 R CB -0.533 29.780 30.300 0.023 0.000 0.851 272 R HN 0.293 nan 8.270 nan 0.000 0.432 273 V N 1.455 121.399 119.914 0.052 0.000 2.343 273 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 273 V C 2.578 178.692 176.094 0.034 0.000 1.051 273 V CA 1.872 64.191 62.300 0.032 0.000 1.036 273 V CB -0.663 31.137 31.823 -0.038 0.000 0.654 273 V HN 0.410 nan 8.190 nan 0.000 0.451 274 Q N -0.359 119.461 119.800 0.033 0.000 2.062 274 Q HA -0.327 4.012 4.340 -0.001 0.000 0.209 274 Q C 2.428 178.460 176.000 0.054 0.000 0.996 274 Q CA 2.434 58.257 55.803 0.033 0.000 0.859 274 Q CB -0.402 28.356 28.738 0.032 0.000 0.920 274 Q HN 0.782 nan 8.270 nan 0.000 0.415 275 H N -0.418 118.654 119.070 0.003 0.000 2.293 275 H HA -0.056 4.499 4.556 -0.001 0.000 0.300 275 H C 2.115 177.450 175.328 0.011 0.000 1.082 275 H CA 1.963 58.014 56.048 0.006 0.000 1.308 275 H CB 0.053 29.817 29.762 0.002 0.000 1.375 275 H HN 0.285 nan 8.280 nan 0.000 0.495 276 S N 0.418 116.225 115.700 0.178 0.000 2.383 276 S HA -0.151 4.318 4.470 -0.001 0.000 0.227 276 S C 1.960 176.594 174.600 0.056 0.000 1.026 276 S CA 1.155 59.430 58.200 0.125 0.000 0.981 276 S CB -0.272 63.014 63.200 0.143 0.000 0.818 276 S HN 0.535 nan 8.310 nan 0.000 0.472 277 N N 1.924 120.651 118.700 0.045 0.000 2.084 277 N HA -0.078 4.661 4.740 -0.001 0.000 0.190 277 N C 1.635 177.163 175.510 0.029 0.000 1.030 277 N CA 1.511 54.591 53.050 0.050 0.000 0.849 277 N CB -0.415 38.077 38.487 0.008 0.000 1.012 277 N HN 0.323 nan 8.380 nan 0.000 0.423 278 A N -0.650 122.152 122.820 -0.030 0.000 1.930 278 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 278 A C 2.372 179.898 177.584 -0.095 0.000 1.175 278 A CA 1.785 53.786 52.037 -0.059 0.000 0.627 278 A CB -1.185 17.754 19.000 -0.102 0.000 0.815 278 A HN 0.396 nan 8.150 nan 0.000 0.443 279 S N -0.450 115.165 115.700 -0.142 0.000 2.356 279 S HA -0.054 4.416 4.470 -0.001 0.000 0.223 279 S C 2.236 176.780 174.600 -0.093 0.000 1.032 279 S CA 1.556 59.681 58.200 -0.126 0.000 1.005 279 S CB -0.478 62.656 63.200 -0.110 0.000 0.867 279 S HN 0.804 nan 8.310 nan 0.000 0.449 280 A N 0.728 123.502 122.820 -0.076 0.000 1.940 280 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 280 A C 2.068 179.425 177.584 -0.378 0.000 1.176 280 A CA 2.141 54.085 52.037 -0.154 0.000 0.631 280 A CB -1.004 17.971 19.000 -0.041 0.000 0.814 280 A HN 0.633 nan 8.150 nan 0.000 0.446 281 Q N -0.027 119.610 119.800 -0.272 0.000 2.061 281 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 281 Q C 2.205 178.127 176.000 -0.130 0.000 0.984 281 Q CA 2.144 57.813 55.803 -0.223 0.000 0.846 281 Q CB -0.271 28.502 28.738 0.058 0.000 0.902 281 Q HN 0.658 nan 8.270 nan 0.000 0.421 282 R N -0.384 120.070 120.500 -0.077 0.000 2.091 282 R HA -0.108 4.231 4.340 -0.001 0.000 0.238 282 R C 2.383 178.671 176.300 -0.020 0.000 1.136 282 R CA 1.671 57.750 56.100 -0.036 0.000 0.959 282 R CB -0.450 29.822 30.300 -0.047 0.000 0.856 282 R HN 0.373 nan 8.270 nan 0.000 0.437 283 I N 0.419 120.951 120.570 -0.064 0.000 2.252 283 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 283 I C 2.607 178.728 176.117 0.007 0.000 1.102 283 I CA 1.124 62.414 61.300 -0.017 0.000 1.385 283 I CB -0.341 37.629 38.000 -0.049 0.000 1.064 283 I HN 0.179 nan 8.210 nan 0.000 0.414 284 A N 0.552 123.305 122.820 -0.110 0.000 1.908 284 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 284 A C 2.194 179.782 177.584 0.007 0.000 1.181 284 A CA 1.855 53.847 52.037 -0.076 0.000 0.627 284 A CB -0.619 18.252 19.000 -0.214 0.000 0.818 284 A HN 0.450 nan 8.150 nan 0.000 0.445 285 E N -1.371 118.842 120.200 0.021 0.000 2.077 285 E HA -0.178 4.171 4.350 -0.001 0.000 0.193 285 E C 1.747 178.387 176.600 0.067 0.000 0.989 285 E CA 1.318 57.750 56.400 0.052 0.000 0.800 285 E CB -0.311 29.425 29.700 0.060 0.000 0.746 285 E HN 0.708 nan 8.360 nan 0.000 0.452 286 F N 1.481 121.406 119.950 -0.042 0.000 2.095 286 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 286 F C 1.879 177.655 175.800 -0.041 0.000 1.104 286 F CA 1.416 59.395 58.000 -0.036 0.000 1.232 286 F CB -0.177 38.795 39.000 -0.046 0.000 0.987 286 F HN -0.091 nan 8.300 nan 0.000 0.475 287 L N 0.257 121.390 121.223 -0.150 0.000 2.131 287 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 287 L C 2.084 178.821 176.870 -0.222 0.000 1.092 287 L CA 1.429 56.072 54.840 -0.328 0.000 0.759 287 L CB -0.878 40.973 42.059 -0.347 0.000 0.903 287 L HN 0.218 nan 8.230 nan 0.000 0.435 288 N N 0.244 118.881 118.700 -0.106 0.000 2.381 288 N HA -0.098 4.641 4.740 -0.001 0.000 0.182 288 N C 1.605 177.075 175.510 -0.065 0.000 1.025 288 N CA 1.188 54.215 53.050 -0.037 0.000 0.888 288 N CB 0.041 38.540 38.487 0.020 0.000 0.965 288 N HN 0.242 nan 8.380 nan 0.000 0.438 289 G N -1.948 106.773 108.800 -0.131 0.000 3.126 289 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.224 289 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.224 289 G C 0.098 174.881 174.900 -0.196 0.000 1.142 289 G CA -0.263 44.754 45.100 -0.138 0.000 0.759 289 G HN 0.340 nan 8.290 nan 0.000 0.550 290 H N 1.798 120.655 119.070 -0.354 0.000 2.722 290 H HA 0.160 4.715 4.556 -0.001 0.000 0.328 290 H C -1.232 173.979 175.328 -0.195 0.000 1.067 290 H CA -1.355 54.480 56.048 -0.356 0.000 1.447 290 H CB 2.286 31.742 29.762 -0.511 0.000 1.469 290 H HN 0.002 nan 8.280 nan 0.000 0.544 291 P HA -0.063 nan 4.420 nan 0.000 0.223 291 P C 0.893 178.226 177.300 0.055 0.000 1.151 291 P CA 0.646 63.697 63.100 -0.083 0.000 0.787 291 P CB 0.419 32.032 31.700 -0.146 0.000 0.788 292 S N -0.814 115.042 115.700 0.261 0.000 2.603 292 S HA 0.099 4.568 4.470 -0.001 0.000 0.220 292 S C 0.848 175.494 174.600 0.075 0.000 0.967 292 S CA 0.004 58.304 58.200 0.166 0.000 0.920 292 S CB -0.120 63.187 63.200 0.179 0.000 0.773 292 S HN -0.040 nan 8.310 nan 0.000 0.529 293 V N 1.734 121.680 119.914 0.053 0.000 2.459 293 V HA 0.390 4.509 4.120 -0.001 0.000 0.295 293 V C 1.033 177.125 176.094 -0.002 0.000 1.029 293 V CA -0.772 61.527 62.300 -0.001 0.000 0.874 293 V CB 1.878 33.647 31.823 -0.091 0.000 0.985 293 V HN 0.152 nan 8.190 nan 0.000 0.438 294 R N 3.897 124.372 120.500 -0.043 0.000 2.066 294 R HA 0.119 4.458 4.340 -0.001 0.000 0.224 294 R C 0.104 176.480 176.300 0.126 0.000 1.122 294 R CA 0.973 57.073 56.100 -0.000 0.000 0.974 294 R CB 0.424 30.700 30.300 -0.039 0.000 0.871 294 R HN 0.800 nan 8.270 nan 0.000 0.435 295 W N -1.171 120.181 121.300 0.085 0.000 3.074 295 W HA 0.557 5.217 4.660 -0.001 0.000 0.332 295 W C -1.928 174.671 176.519 0.134 0.000 1.253 295 W CA -1.042 56.350 57.345 0.078 0.000 1.180 295 W CB 0.891 30.380 29.460 0.048 0.000 1.445 295 W HN -0.356 nan 8.180 nan 0.000 0.573 296 V N 2.544 122.827 119.914 0.614 0.000 2.789 296 V HA 0.564 4.683 4.120 -0.001 0.000 0.311 296 V C -0.319 176.114 176.094 0.566 0.000 1.073 296 V CA -0.981 61.644 62.300 0.542 0.000 0.921 296 V CB 1.976 33.976 31.823 0.296 0.000 1.009 296 V HN 0.480 nan 8.190 nan 0.000 0.426 297 R N 3.007 123.856 120.500 0.582 0.000 2.360 297 R HA 0.565 4.904 4.340 -0.001 0.000 0.318 297 R C -1.808 174.819 176.300 0.545 0.000 0.950 297 R CA -0.548 55.815 56.100 0.438 0.000 0.837 297 R CB 1.834 32.330 30.300 0.327 0.000 1.165 297 R HN 0.784 nan 8.270 nan 0.000 0.458 298 Y N 3.896 124.445 120.300 0.416 0.000 2.390 298 Y HA 0.280 4.829 4.550 -0.001 0.000 0.324 298 Y C -2.201 173.920 175.900 0.367 0.000 1.151 298 Y CA -1.970 56.355 58.100 0.375 0.000 1.053 298 Y CB 2.412 41.051 38.460 0.298 0.000 1.277 298 Y HN 0.336 nan 8.280 nan 0.000 0.432 299 P HA -0.087 nan 4.420 nan 0.000 0.220 299 P C 0.420 177.742 177.300 0.036 0.000 1.148 299 P CA 1.709 64.638 63.100 -0.285 0.000 0.803 299 P CB 0.060 31.582 31.700 -0.296 0.000 0.782 300 Y N -1.755 118.450 120.300 -0.158 0.000 2.493 300 Y HA 0.217 4.766 4.550 -0.001 0.000 0.275 300 Y C 0.613 176.801 175.900 0.480 0.000 1.183 300 Y CA -0.940 57.277 58.100 0.194 0.000 1.258 300 Y CB 0.356 38.911 38.460 0.158 0.000 1.108 300 Y HN -0.119 nan 8.280 nan 0.000 0.521 301 L N 0.977 122.535 121.223 0.559 0.000 2.275 301 L HA 0.371 4.710 4.340 -0.001 0.000 0.288 301 L C -1.912 174.980 176.870 0.036 0.000 1.046 301 L CA -2.322 52.722 54.840 0.340 0.000 0.805 301 L CB 1.228 43.516 42.059 0.382 0.000 1.193 301 L HN -0.174 nan 8.230 nan 0.000 0.426 302 P HA -0.171 nan 4.420 nan 0.000 0.220 302 P C 1.313 178.400 177.300 -0.355 0.000 1.144 302 P CA 1.557 64.130 63.100 -0.878 0.000 0.800 302 P CB 0.160 31.515 31.700 -0.575 0.000 0.772 303 S N -2.667 112.973 115.700 -0.099 0.000 2.515 303 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 303 S C 1.086 175.709 174.600 0.038 0.000 0.987 303 S CA 0.132 58.324 58.200 -0.012 0.000 0.936 303 S CB -1.225 61.999 63.200 0.041 0.000 0.766 303 S HN 0.219 nan 8.310 nan 0.000 0.528 304 H N 3.505 122.597 119.070 0.037 0.000 2.964 304 H HA 0.155 4.710 4.556 -0.001 0.000 0.328 304 H C -1.850 173.508 175.328 0.050 0.000 1.030 304 H CA -1.162 54.929 56.048 0.071 0.000 1.445 304 H CB 1.186 31.038 29.762 0.150 0.000 1.449 304 H HN 0.088 nan 8.280 nan 0.000 0.581 305 P HA -0.100 nan 4.420 nan 0.000 0.221 305 P C 0.148 177.543 177.300 0.158 0.000 1.145 305 P CA 1.391 64.495 63.100 0.007 0.000 0.795 305 P CB 0.284 31.907 31.700 -0.128 0.000 0.775 306 Q N -2.696 117.347 119.800 0.406 0.000 2.182 306 Q HA 0.118 4.457 4.340 -0.001 0.000 0.270 306 Q C 0.713 176.797 176.000 0.141 0.000 0.861 306 Q CA -0.441 55.500 55.803 0.230 0.000 1.098 306 Q CB -0.168 28.667 28.738 0.162 0.000 1.188 306 Q HN 0.175 nan 8.270 nan 0.000 0.464 307 Y N 1.863 122.210 120.300 0.078 0.000 2.114 307 Y HA -0.336 4.213 4.550 -0.001 0.000 0.282 307 Y C 1.439 177.285 175.900 -0.090 0.000 1.165 307 Y CA 2.140 60.219 58.100 -0.036 0.000 1.148 307 Y CB 0.262 38.729 38.460 0.011 0.000 0.972 307 Y HN 0.236 nan 8.280 nan 0.000 0.504 308 D N -0.052 120.307 120.400 -0.068 0.000 2.144 308 D HA -0.167 4.472 4.640 -0.001 0.000 0.200 308 D C 2.164 178.353 176.300 -0.186 0.000 0.978 308 D CA 1.468 55.364 54.000 -0.173 0.000 0.833 308 D CB -0.378 40.404 40.800 -0.030 0.000 0.961 308 D HN 0.427 nan 8.370 nan 0.000 0.470 309 L N 1.219 122.370 121.223 -0.120 0.000 2.056 309 L HA -0.022 4.317 4.340 -0.001 0.000 0.207 309 L C 2.228 179.013 176.870 -0.141 0.000 1.078 309 L CA 1.556 56.330 54.840 -0.109 0.000 0.749 309 L CB -0.630 41.387 42.059 -0.070 0.000 0.901 309 L HN -0.076 nan 8.230 nan 0.000 0.433 310 A N -0.504 122.203 122.820 -0.188 0.000 1.908 310 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 310 A C 2.242 179.737 177.584 -0.149 0.000 1.181 310 A CA 1.788 53.723 52.037 -0.170 0.000 0.627 310 A CB -0.564 18.303 19.000 -0.221 0.000 0.818 310 A HN 0.390 nan 8.150 nan 0.000 0.445 311 K N -0.329 119.851 120.400 -0.368 0.000 2.283 311 K HA -0.047 4.272 4.320 -0.001 0.000 0.202 311 K C 2.031 178.529 176.600 -0.170 0.000 1.048 311 K CA 1.107 57.152 56.287 -0.403 0.000 0.948 311 K CB -0.223 31.899 32.500 -0.629 0.000 0.742 311 K HN 0.569 nan 8.250 nan 0.000 0.458 312 R N 0.290 120.708 120.500 -0.136 0.000 2.112 312 R HA -0.033 4.306 4.340 -0.001 0.000 0.216 312 R C 2.241 178.515 176.300 -0.042 0.000 1.080 312 R CA 0.902 56.955 56.100 -0.078 0.000 0.996 312 R CB 0.063 30.316 30.300 -0.078 0.000 0.902 312 R HN 0.323 nan 8.270 nan 0.000 0.449 313 Q N -0.016 119.760 119.800 -0.040 0.000 2.352 313 Q HA 0.175 4.514 4.340 -0.001 0.000 0.212 313 Q C 0.183 176.182 176.000 -0.001 0.000 0.888 313 Q CA 0.198 55.986 55.803 -0.024 0.000 0.934 313 Q CB 0.595 29.310 28.738 -0.039 0.000 1.093 313 Q HN 0.113 nan 8.270 nan 0.000 0.523 314 M N 0.921 120.539 119.600 0.029 0.000 2.535 314 M HA 0.335 4.814 4.480 -0.001 0.000 0.314 314 M C 0.176 176.532 176.300 0.094 0.000 1.153 314 M CA -0.665 54.661 55.300 0.044 0.000 0.924 314 M CB 2.238 34.858 32.600 0.034 0.000 1.710 314 M HN 0.095 nan 8.290 nan 0.000 0.451 315 S N -0.629 115.074 115.700 0.004 0.000 2.575 315 S HA 0.443 4.913 4.470 -0.001 0.000 0.215 315 S C 0.492 174.946 174.600 -0.243 0.000 0.966 315 S CA 0.086 58.286 58.200 -0.001 0.000 0.911 315 S CB -0.032 63.164 63.200 -0.005 0.000 0.780 315 S HN 0.965 nan 8.310 nan 0.000 0.514 316 G N -0.815 107.655 108.800 -0.550 0.000 2.623 316 G HA2 0.511 4.471 3.960 -0.001 0.000 0.290 316 G HA3 0.511 4.471 3.960 -0.001 0.000 0.290 316 G C 0.340 174.715 174.900 -0.874 0.000 1.437 316 G CA -0.201 44.286 45.100 -1.021 0.000 0.798 316 G HN 0.177 nan 8.290 nan 0.000 0.488 317 G N -1.252 107.084 108.800 -0.774 0.000 2.511 317 G HA2 0.511 4.470 3.960 -0.001 0.000 0.217 317 G HA3 0.511 4.470 3.960 -0.001 0.000 0.217 317 G C 1.128 175.860 174.900 -0.280 0.000 1.133 317 G CA 1.378 46.125 45.100 -0.588 0.000 0.792 317 G HN 2.227 nan 8.290 nan 0.000 0.539 318 G N -1.058 107.718 108.800 -0.041 0.000 2.396 318 G HA2 0.163 4.122 3.960 -0.001 0.000 0.254 318 G HA3 0.163 4.122 3.960 -0.001 0.000 0.254 318 G C 0.486 175.484 174.900 0.163 0.000 1.248 318 G CA 0.570 45.692 45.100 0.038 0.000 1.033 318 G HN 1.020 nan 8.290 nan 0.000 0.502 319 T N -2.615 111.966 114.554 0.045 0.000 3.182 319 T HA 0.585 4.935 4.350 -0.001 0.000 0.277 319 T C 0.074 174.828 174.700 0.090 0.000 1.013 319 T CA 0.720 62.887 62.100 0.111 0.000 0.900 319 T CB 0.302 69.272 68.868 0.171 0.000 1.098 319 T HN 1.410 nan 8.240 nan 0.000 0.543 320 V N 1.307 121.289 119.914 0.114 0.000 2.588 320 V HA 0.672 4.791 4.120 -0.001 0.000 0.304 320 V C -0.675 175.633 176.094 0.357 0.000 1.042 320 V CA -0.930 61.462 62.300 0.153 0.000 0.877 320 V CB 2.076 33.922 31.823 0.038 0.000 0.996 320 V HN 0.238 nan 8.190 nan 0.000 0.425 321 V N 3.080 123.174 119.914 0.300 0.000 2.487 321 V HA 0.591 4.710 4.120 -0.001 0.000 0.298 321 V C 0.037 176.352 176.094 0.367 0.000 1.028 321 V CA -0.290 62.224 62.300 0.356 0.000 0.860 321 V CB 2.164 34.115 31.823 0.213 0.000 0.991 321 V HN 0.951 nan 8.190 nan 0.000 0.427 322 T N 5.859 120.657 114.554 0.408 0.000 2.855 322 T HA 0.843 5.192 4.350 -0.001 0.000 0.281 322 T C -0.721 174.221 174.700 0.404 0.000 1.007 322 T CA -0.262 62.038 62.100 0.332 0.000 1.009 322 T CB 1.203 70.265 68.868 0.324 0.000 0.983 322 T HN 0.638 nan 8.240 nan 0.000 0.455 323 F N -0.278 119.665 119.950 -0.012 0.000 2.668 323 F HA 0.865 5.391 4.527 -0.001 0.000 0.309 323 F C -1.201 174.207 175.800 -0.654 0.000 1.117 323 F CA -1.684 56.140 58.000 -0.293 0.000 0.951 323 F CB 0.822 39.739 39.000 -0.139 0.000 1.323 323 F HN 0.673 nan 8.300 nan 0.000 0.451 324 A N 2.806 125.035 122.820 -0.985 0.000 2.337 324 A HA 0.789 5.109 4.320 -0.001 0.000 0.329 324 A C -1.076 176.301 177.584 -0.344 0.000 1.146 324 A CA -0.913 50.602 52.037 -0.871 0.000 0.800 324 A CB 1.101 19.293 19.000 -1.348 0.000 1.220 324 A HN 0.878 nan 8.150 nan 0.000 0.472 325 L N 0.981 122.087 121.223 -0.195 0.000 2.417 325 L HA 0.232 4.571 4.340 -0.001 0.000 0.268 325 L C 0.053 176.886 176.870 -0.062 0.000 1.158 325 L CA -0.385 54.428 54.840 -0.045 0.000 0.819 325 L CB 0.789 42.843 42.059 -0.009 0.000 1.112 325 L HN 0.773 nan 8.230 nan 0.000 0.458 326 D N 2.396 122.785 120.400 -0.017 0.000 2.494 326 D HA 0.342 4.981 4.640 -0.001 0.000 0.217 326 D C -0.798 175.504 176.300 0.003 0.000 1.153 326 D CA -0.301 53.695 54.000 -0.005 0.000 0.954 326 D CB 0.213 41.019 40.800 0.011 0.000 1.034 326 D HN 0.587 nan 8.370 nan 0.000 0.518 327 C N 1.663 120.961 119.300 -0.003 0.000 3.288 327 C HA 0.771 5.231 4.460 -0.001 0.000 0.318 327 C C -2.650 172.340 174.990 -0.001 0.000 1.356 327 C CA -1.727 57.291 59.018 -0.000 0.000 1.359 327 C CB 0.531 28.270 27.740 -0.002 0.000 1.688 327 C HN 0.311 nan 8.230 nan 0.000 0.467 328 P HA 0.276 nan 4.420 nan 0.000 0.268 328 P C 0.525 177.821 177.300 -0.007 0.000 1.205 328 P CA 0.299 63.398 63.100 -0.002 0.000 0.771 328 P CB 0.626 32.324 31.700 -0.004 0.000 0.858 329 E N 1.543 121.740 120.200 -0.003 0.000 2.265 329 E HA -0.233 4.116 4.350 -0.001 0.000 0.196 329 E C 1.386 177.976 176.600 -0.017 0.000 0.996 329 E CA 1.278 57.674 56.400 -0.007 0.000 0.832 329 E CB -0.508 29.193 29.700 0.001 0.000 0.756 329 E HN 0.441 nan 8.360 nan 0.000 0.491 330 D N -0.776 119.614 120.400 -0.017 0.000 2.133 330 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 330 D C 1.442 177.721 176.300 -0.036 0.000 0.997 330 D CA 1.381 55.367 54.000 -0.024 0.000 0.840 330 D CB 0.021 40.810 40.800 -0.018 0.000 0.947 330 D HN 0.172 nan 8.370 nan 0.000 0.452 331 V N -0.517 119.376 119.914 -0.034 0.000 3.319 331 V HA 0.495 4.614 4.120 -0.001 0.000 0.317 331 V C 1.620 177.682 176.094 -0.054 0.000 1.411 331 V CA 0.805 63.079 62.300 -0.045 0.000 1.112 331 V CB 0.115 31.920 31.823 -0.030 0.000 1.031 331 V HN 0.238 nan 8.190 nan 0.000 0.448 332 A N 0.242 123.032 122.820 -0.049 0.000 1.902 332 A HA -0.156 4.163 4.320 -0.001 0.000 0.217 332 A C 2.213 179.758 177.584 -0.065 0.000 1.181 332 A CA 2.041 54.054 52.037 -0.040 0.000 0.623 332 A CB -0.445 18.542 19.000 -0.022 0.000 0.818 332 A HN 0.510 nan 8.150 nan 0.000 0.443 333 K N -0.528 119.797 120.400 -0.124 0.000 2.032 333 K HA -0.242 4.077 4.320 -0.001 0.000 0.209 333 K C 2.352 178.702 176.600 -0.416 0.000 1.048 333 K CA 1.895 58.005 56.287 -0.296 0.000 0.927 333 K CB -0.228 32.049 32.500 -0.372 0.000 0.712 333 K HN 0.655 nan 8.250 nan 0.000 0.441 334 Q N 0.345 119.978 119.800 -0.278 0.000 2.084 334 Q HA -0.231 4.108 4.340 -0.001 0.000 0.202 334 Q C 2.167 178.132 176.000 -0.058 0.000 0.978 334 Q CA 1.635 57.331 55.803 -0.179 0.000 0.844 334 Q CB -0.050 28.620 28.738 -0.113 0.000 0.898 334 Q HN 0.124 nan 8.270 nan 0.000 0.426 335 R N 0.282 120.755 120.500 -0.045 0.000 2.073 335 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 335 R C 2.006 178.324 176.300 0.029 0.000 1.134 335 R CA 1.789 57.889 56.100 -0.000 0.000 0.952 335 R CB -0.779 29.519 30.300 -0.004 0.000 0.850 335 R HN 0.344 nan 8.270 nan 0.000 0.433 336 A N -0.297 122.535 122.820 0.019 0.000 1.902 336 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 336 A C 2.032 179.696 177.584 0.133 0.000 1.181 336 A CA 1.412 53.486 52.037 0.062 0.000 0.623 336 A CB -0.788 18.262 19.000 0.083 0.000 0.818 336 A HN 0.371 nan 8.150 nan 0.000 0.443 337 F N 0.147 119.985 119.950 -0.187 0.000 2.126 337 F HA -0.124 4.402 4.527 -0.001 0.000 0.299 337 F C 2.351 178.105 175.800 -0.076 0.000 1.096 337 F CA 1.261 59.169 58.000 -0.154 0.000 1.255 337 F CB -0.786 38.122 39.000 -0.153 0.000 0.997 337 F HN 0.422 nan 8.300 nan 0.000 0.479 338 E N 0.124 120.406 120.200 0.136 0.000 2.077 338 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 338 E C 2.329 178.959 176.600 0.050 0.000 0.989 338 E CA 1.383 57.826 56.400 0.071 0.000 0.800 338 E CB -0.057 29.675 29.700 0.053 0.000 0.746 338 E HN 0.172 nan 8.360 nan 0.000 0.452 339 V N 0.982 120.931 119.914 0.058 0.000 2.261 339 V HA -0.277 3.842 4.120 -0.001 0.000 0.246 339 V C 2.405 178.526 176.094 0.044 0.000 1.047 339 V CA 1.368 63.704 62.300 0.060 0.000 1.015 339 V CB -0.453 31.423 31.823 0.088 0.000 0.642 339 V HN 0.255 nan 8.190 nan 0.000 0.446 340 L N 0.230 121.468 121.223 0.025 0.000 2.012 340 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 340 L C 2.145 178.999 176.870 -0.026 0.000 1.073 340 L CA 2.043 56.876 54.840 -0.012 0.000 0.748 340 L CB -1.007 41.007 42.059 -0.075 0.000 0.891 340 L HN 0.338 nan 8.230 nan 0.000 0.431 341 D N -0.963 119.416 120.400 -0.034 0.000 2.264 341 D HA -0.170 4.469 4.640 -0.001 0.000 0.208 341 D C 2.138 178.433 176.300 -0.008 0.000 0.966 341 D CA 0.793 54.774 54.000 -0.031 0.000 0.864 341 D CB -0.006 40.778 40.800 -0.027 0.000 0.933 341 D HN 0.290 nan 8.370 nan 0.000 0.499 342 K N -0.360 120.044 120.400 0.006 0.000 2.361 342 K HA 0.043 4.362 4.320 -0.001 0.000 0.196 342 K C 0.509 177.116 176.600 0.012 0.000 1.039 342 K CA -0.076 56.218 56.287 0.013 0.000 1.001 342 K CB 0.258 32.772 32.500 0.022 0.000 0.795 342 K HN -0.044 nan 8.250 nan 0.000 0.495 343 M N 1.121 120.728 119.600 0.011 0.000 2.251 343 M HA -0.043 4.436 4.480 -0.001 0.000 0.343 343 M C 0.607 176.909 176.300 0.003 0.000 1.245 343 M CA 1.140 56.447 55.300 0.011 0.000 1.061 343 M CB 0.416 33.024 32.600 0.012 0.000 1.723 343 M HN 0.108 nan 8.290 nan 0.000 0.449 344 R N 1.252 121.754 120.500 0.003 0.000 2.394 344 R HA 0.151 4.490 4.340 -0.001 0.000 0.220 344 R C 1.221 177.520 176.300 -0.002 0.000 0.887 344 R CA 0.008 56.107 56.100 -0.001 0.000 1.034 344 R CB 0.478 30.778 30.300 -0.000 0.000 1.179 344 R HN 0.470 nan 8.270 nan 0.000 0.561 345 L N 0.347 121.569 121.223 -0.002 0.000 2.519 345 L HA 0.365 4.705 4.340 -0.001 0.000 0.194 345 L C 0.333 177.203 176.870 -0.001 0.000 1.072 345 L CA 0.743 55.581 54.840 -0.004 0.000 0.845 345 L CB 0.433 42.488 42.059 -0.007 0.000 1.138 345 L HN -0.112 nan 8.230 nan 0.000 0.487 346 I N 1.799 122.372 120.570 0.003 0.000 2.556 346 I HA 0.032 4.201 4.170 -0.001 0.000 0.284 346 I C -0.307 175.814 176.117 0.006 0.000 1.114 346 I CA -0.050 61.255 61.300 0.009 0.000 1.418 346 I CB 0.178 38.190 38.000 0.020 0.000 1.394 346 I HN 0.173 nan 8.210 nan 0.000 0.552 347 D N 6.816 127.218 120.400 0.005 0.000 2.264 347 D HA 0.331 4.970 4.640 -0.001 0.000 0.249 347 D C 0.079 176.380 176.300 0.000 0.000 1.070 347 D CA -0.180 53.820 54.000 -0.000 0.000 0.912 347 D CB 1.699 42.498 40.800 -0.001 0.000 1.193 347 D HN 0.284 nan 8.370 nan 0.000 0.427 348 I N 1.534 122.098 120.570 -0.011 0.000 2.421 348 I HA 0.105 4.274 4.170 -0.001 0.000 0.291 348 I C 0.692 176.803 176.117 -0.009 0.000 1.089 348 I CA 0.455 61.744 61.300 -0.017 0.000 1.354 348 I CB 0.378 38.349 38.000 -0.048 0.000 1.413 348 I HN 0.045 nan 8.210 nan 0.000 0.513 349 S N 4.465 120.169 115.700 0.006 0.000 2.552 349 S HA 0.319 4.789 4.470 -0.001 0.000 0.272 349 S C 0.168 174.789 174.600 0.035 0.000 1.150 349 S CA -0.800 57.410 58.200 0.017 0.000 0.849 349 S CB 1.299 64.509 63.200 0.016 0.000 1.113 349 S HN 0.578 nan 8.310 nan 0.000 0.458 350 N N 2.003 120.731 118.700 0.047 0.000 2.463 350 N HA 0.097 4.837 4.740 -0.001 0.000 0.181 350 N C 0.281 175.848 175.510 0.095 0.000 1.078 350 N CA 0.257 53.351 53.050 0.073 0.000 0.902 350 N CB -0.376 38.157 38.487 0.077 0.000 0.970 350 N HN 0.462 nan 8.380 nan 0.000 0.451 351 N N 0.580 119.323 118.700 0.072 0.000 2.379 351 N HA 0.370 5.109 4.740 -0.001 0.000 0.260 351 N C -0.452 175.082 175.510 0.040 0.000 1.254 351 N CA -0.045 53.045 53.050 0.067 0.000 0.958 351 N CB 0.837 39.347 38.487 0.039 0.000 1.208 351 N HN -0.065 nan 8.380 nan 0.000 0.532 352 L N -1.494 119.731 121.223 0.004 0.000 2.341 352 L HA 0.479 4.818 4.340 -0.001 0.000 0.254 352 L C 0.930 177.683 176.870 -0.195 0.000 1.040 352 L CA -0.886 53.914 54.840 -0.066 0.000 0.837 352 L CB 1.893 43.929 42.059 -0.038 0.000 1.425 352 L HN 0.702 nan 8.230 nan 0.000 0.414 353 G N 0.433 108.994 108.800 -0.399 0.000 2.176 353 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.252 353 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.252 353 G C -0.424 174.273 174.900 -0.338 0.000 1.024 353 G CA 0.235 44.887 45.100 -0.748 0.000 0.755 353 G HN 0.618 nan 8.290 nan 0.000 0.507 354 D N -0.847 119.443 120.400 -0.183 0.000 2.228 354 D HA 0.715 5.354 4.640 -0.001 0.000 0.247 354 D C 1.438 177.702 176.300 -0.061 0.000 0.995 354 D CA 0.182 54.126 54.000 -0.093 0.000 0.903 354 D CB 1.330 42.096 40.800 -0.057 0.000 1.205 354 D HN 0.312 nan 8.370 nan 0.000 0.459 355 A N 3.294 126.088 122.820 -0.043 0.000 2.019 355 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 355 A C 0.901 178.472 177.584 -0.022 0.000 1.164 355 A CA 1.132 53.150 52.037 -0.031 0.000 0.644 355 A CB -0.205 18.772 19.000 -0.039 0.000 0.805 355 A HN 0.492 nan 8.150 nan 0.000 0.449 356 K N 1.331 121.718 120.400 -0.022 0.000 2.276 356 K HA 0.356 4.676 4.320 -0.001 0.000 0.283 356 K C -0.380 176.215 176.600 -0.007 0.000 1.044 356 K CA -0.219 56.061 56.287 -0.013 0.000 0.944 356 K CB 0.982 33.475 32.500 -0.011 0.000 1.012 356 K HN 0.175 nan 8.250 nan 0.000 0.472 357 S N 2.900 118.601 115.700 0.002 0.000 2.564 357 S HA 0.309 4.778 4.470 -0.001 0.000 0.278 357 S C -0.070 174.537 174.600 0.013 0.000 1.333 357 S CA -0.476 57.730 58.200 0.011 0.000 1.048 357 S CB 0.264 63.474 63.200 0.017 0.000 0.900 357 S HN 0.333 nan 8.310 nan 0.000 0.505 358 L N 2.339 123.575 121.223 0.021 0.000 2.393 358 L HA 0.806 5.145 4.340 -0.001 0.000 0.260 358 L C -0.696 176.199 176.870 0.042 0.000 1.002 358 L CA -0.928 53.927 54.840 0.025 0.000 0.818 358 L CB 1.860 43.931 42.059 0.020 0.000 1.369 358 L HN 0.389 nan 8.230 nan 0.000 0.412 359 V N 0.320 120.258 119.914 0.040 0.000 2.876 359 V HA 0.819 4.938 4.120 -0.001 0.000 0.312 359 V C -0.927 175.191 176.094 0.040 0.000 1.085 359 V CA 0.052 62.383 62.300 0.051 0.000 0.945 359 V CB 2.477 34.334 31.823 0.058 0.000 1.017 359 V HN 0.882 nan 8.190 nan 0.000 0.428 360 T N 3.097 117.680 114.554 0.049 0.000 2.853 360 T HA 0.402 4.751 4.350 -0.001 0.000 0.311 360 T C -1.766 172.983 174.700 0.082 0.000 1.307 360 T CA -0.419 61.715 62.100 0.057 0.000 1.019 360 T CB 1.257 70.163 68.868 0.064 0.000 1.264 360 T HN 0.896 nan 8.240 nan 0.000 0.497 361 H N 4.181 123.250 119.070 -0.002 0.000 2.691 361 H HA 0.315 4.870 4.556 -0.001 0.000 0.281 361 H C -2.122 173.234 175.328 0.047 0.000 1.121 361 H CA -2.185 53.877 56.048 0.022 0.000 1.254 361 H CB 1.724 31.544 29.762 0.096 0.000 1.390 361 H HN 0.345 nan 8.280 nan 0.000 0.491 362 P HA -0.156 nan 4.420 nan 0.000 0.216 362 P C 1.361 178.610 177.300 -0.086 0.000 1.153 362 P CA 1.737 64.782 63.100 -0.092 0.000 0.858 362 P CB 0.184 31.780 31.700 -0.174 0.000 0.789 363 A N -0.711 121.932 122.820 -0.295 0.000 2.019 363 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 363 A C 1.996 179.617 177.584 0.062 0.000 1.164 363 A CA 2.313 54.274 52.037 -0.127 0.000 0.644 363 A CB -1.635 17.251 19.000 -0.189 0.000 0.805 363 A HN 0.382 nan 8.150 nan 0.000 0.449 364 T N -4.585 110.089 114.554 0.199 0.000 3.054 364 T HA 0.163 4.512 4.350 -0.001 0.000 0.255 364 T C 1.177 175.984 174.700 0.179 0.000 1.035 364 T CA 0.983 63.242 62.100 0.265 0.000 0.941 364 T CB -0.071 69.075 68.868 0.464 0.000 1.026 364 T HN 0.515 nan 8.240 nan 0.000 0.533 365 T N 0.375 115.012 114.554 0.139 0.000 3.166 365 T HA 0.106 4.455 4.350 -0.001 0.000 0.182 365 T C 2.148 176.882 174.700 0.057 0.000 0.810 365 T CA 0.952 63.106 62.100 0.089 0.000 1.441 365 T CB -0.637 68.281 68.868 0.084 0.000 2.201 365 T HN 0.227 nan 8.240 nan 0.000 0.414 366 T N 0.367 114.963 114.554 0.069 0.000 2.759 366 T HA -0.161 4.188 4.350 -0.001 0.000 0.269 366 T C 1.312 175.941 174.700 -0.119 0.000 1.042 366 T CA 1.794 63.889 62.100 -0.009 0.000 1.140 366 T CB -0.802 68.100 68.868 0.058 0.000 0.864 366 T HN 0.642 nan 8.240 nan 0.000 0.455 367 H N -0.369 118.670 119.070 -0.052 0.000 2.487 367 H HA 0.466 5.021 4.556 -0.001 0.000 0.290 367 H C 1.951 177.248 175.328 -0.051 0.000 1.081 367 H CA -0.476 55.531 56.048 -0.067 0.000 1.116 367 H CB 0.177 29.897 29.762 -0.071 0.000 1.560 367 H HN 0.113 nan 8.280 nan 0.000 0.548 368 R N 0.496 121.024 120.500 0.046 0.000 2.153 368 R HA 0.057 4.396 4.340 -0.001 0.000 0.218 368 R C 1.877 178.177 176.300 0.000 0.000 1.072 368 R CA 0.894 57.015 56.100 0.035 0.000 0.990 368 R CB 0.090 30.420 30.300 0.050 0.000 0.889 368 R HN 0.392 nan 8.270 nan 0.000 0.452 369 A N 1.903 124.703 122.820 -0.033 0.000 1.858 369 A HA -0.222 4.097 4.320 -0.001 0.000 0.216 369 A C 2.239 179.791 177.584 -0.053 0.000 1.190 369 A CA 1.876 53.884 52.037 -0.049 0.000 0.617 369 A CB -0.625 18.329 19.000 -0.077 0.000 0.827 369 A HN 0.512 nan 8.150 nan 0.000 0.443 370 M N -1.655 117.897 119.600 -0.080 0.000 2.539 370 M HA 0.286 4.765 4.480 -0.001 0.000 0.261 370 M C 1.093 177.365 176.300 -0.047 0.000 1.069 370 M CA 0.906 56.155 55.300 -0.087 0.000 1.081 370 M CB -1.101 31.419 32.600 -0.133 0.000 1.412 370 M HN 0.938 nan 8.290 nan 0.000 0.482 371 G N 0.993 109.778 108.800 -0.025 0.000 2.828 371 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.463 371 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.463 371 G C -2.092 172.801 174.900 -0.011 0.000 1.394 371 G CA -0.464 44.627 45.100 -0.014 0.000 0.862 371 G HN 0.224 nan 8.290 nan 0.000 0.540 372 P HA -0.057 nan 4.420 nan 0.000 0.216 372 P C 1.805 179.098 177.300 -0.012 0.000 1.153 372 P CA 3.230 66.326 63.100 -0.008 0.000 0.858 372 P CB -0.314 31.382 31.700 -0.007 0.000 0.789 373 E N 0.391 120.582 120.200 -0.015 0.000 2.047 373 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 373 E C 2.456 179.041 176.600 -0.026 0.000 0.987 373 E CA 1.560 57.949 56.400 -0.018 0.000 0.799 373 E CB -2.034 27.655 29.700 -0.018 0.000 0.752 373 E HN 0.340 nan 8.360 nan 0.000 0.449 374 G N 0.386 109.165 108.800 -0.034 0.000 2.440 374 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.218 374 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.218 374 G C 2.013 176.892 174.900 -0.034 0.000 1.154 374 G CA 0.997 46.067 45.100 -0.050 0.000 0.767 374 G HN 0.461 nan 8.290 nan 0.000 0.552 375 R N 0.326 120.815 120.500 -0.017 0.000 2.075 375 R HA 0.074 4.413 4.340 -0.001 0.000 0.232 375 R C 3.016 179.305 176.300 -0.019 0.000 1.126 375 R CA 1.055 57.148 56.100 -0.011 0.000 0.963 375 R CB -0.351 29.945 30.300 -0.007 0.000 0.858 375 R HN 0.350 nan 8.270 nan 0.000 0.435 376 A N 1.065 123.876 122.820 -0.016 0.000 2.015 376 A HA -0.045 4.274 4.320 -0.001 0.000 0.219 376 A C 2.259 179.830 177.584 -0.021 0.000 1.163 376 A CA 1.467 53.497 52.037 -0.013 0.000 0.646 376 A CB -0.383 18.611 19.000 -0.009 0.000 0.806 376 A HN 0.388 nan 8.150 nan 0.000 0.448 377 A N 0.345 123.149 122.820 -0.028 0.000 2.015 377 A HA 0.038 4.357 4.320 -0.001 0.000 0.219 377 A C 1.899 179.458 177.584 -0.042 0.000 1.163 377 A CA 1.351 53.367 52.037 -0.035 0.000 0.646 377 A CB -0.622 18.355 19.000 -0.039 0.000 0.806 377 A HN 0.999 nan 8.150 nan 0.000 0.448 378 I N -5.664 114.881 120.570 -0.041 0.000 4.018 378 I HA 0.518 4.688 4.170 -0.001 0.000 0.337 378 I C 1.121 177.205 176.117 -0.055 0.000 1.327 378 I CA 0.533 61.804 61.300 -0.048 0.000 1.100 378 I CB 0.241 38.217 38.000 -0.041 0.000 1.025 378 I HN 0.290 nan 8.210 nan 0.000 0.396 379 G N 2.398 111.175 108.800 -0.039 0.000 2.132 379 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.234 379 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.234 379 G C -0.183 174.742 174.900 0.042 0.000 0.989 379 G CA 0.167 45.254 45.100 -0.020 0.000 0.676 379 G HN 0.378 nan 8.290 nan 0.000 0.522 380 L N 2.481 123.709 121.223 0.008 0.000 2.356 380 L HA 0.698 5.038 4.340 -0.001 0.000 0.282 380 L C 1.035 177.903 176.870 -0.004 0.000 1.132 380 L CA 0.000 54.838 54.840 -0.003 0.000 0.923 380 L CB 0.017 42.011 42.059 -0.109 0.000 1.278 380 L HN 0.350 nan 8.230 nan 0.000 0.436 381 G N 2.432 111.255 108.800 0.039 0.000 2.580 381 G HA2 0.138 4.097 3.960 -0.001 0.000 0.278 381 G HA3 0.138 4.097 3.960 -0.001 0.000 0.278 381 G C 0.317 175.199 174.900 -0.030 0.000 1.212 381 G CA -0.415 44.694 45.100 0.015 0.000 0.939 381 G HN 0.608 nan 8.290 nan 0.000 0.513 382 D N -0.021 120.380 120.400 0.001 0.000 2.350 382 D HA -0.037 4.602 4.640 -0.001 0.000 0.216 382 D C 2.156 178.533 176.300 0.128 0.000 0.968 382 D CA 1.089 55.124 54.000 0.058 0.000 0.894 382 D CB 0.053 40.874 40.800 0.036 0.000 0.909 382 D HN 0.426 nan 8.370 nan 0.000 0.520 383 G N -0.078 108.731 108.800 0.015 0.000 3.284 383 G HA2 0.184 4.144 3.960 -0.001 0.000 0.236 383 G HA3 0.184 4.144 3.960 -0.001 0.000 0.236 383 G C 0.387 175.192 174.900 -0.158 0.000 1.158 383 G CA -0.182 44.899 45.100 -0.031 0.000 0.774 383 G HN 0.042 nan 8.290 nan 0.000 0.545 384 V N 1.175 120.976 119.914 -0.188 0.000 2.498 384 V HA 0.420 4.539 4.120 -0.001 0.000 0.279 384 V C -0.115 175.773 176.094 -0.345 0.000 1.048 384 V CA -0.461 61.642 62.300 -0.329 0.000 0.967 384 V CB 1.541 33.239 31.823 -0.207 0.000 0.988 384 V HN -0.031 nan 8.190 nan 0.000 0.473 385 V N 5.581 125.148 119.914 -0.579 0.000 2.680 385 V HA 0.600 4.720 4.120 -0.001 0.000 0.309 385 V C -0.114 175.747 176.094 -0.388 0.000 1.052 385 V CA -0.889 61.105 62.300 -0.510 0.000 0.908 385 V CB 2.123 33.480 31.823 -0.776 0.000 1.001 385 V HN 0.860 nan 8.190 nan 0.000 0.431 386 R N 3.484 123.916 120.500 -0.113 0.000 2.534 386 R HA 0.728 5.068 4.340 -0.001 0.000 0.301 386 R C -1.665 174.697 176.300 0.102 0.000 0.961 386 R CA -0.580 55.543 56.100 0.038 0.000 0.871 386 R CB 1.516 31.857 30.300 0.068 0.000 1.170 386 R HN 0.725 nan 8.270 nan 0.000 0.446 387 I N 2.071 122.743 120.570 0.170 0.000 2.433 387 I HA 0.194 4.363 4.170 -0.001 0.000 0.292 387 I C -0.170 176.019 176.117 0.119 0.000 1.001 387 I CA -0.606 60.784 61.300 0.150 0.000 1.119 387 I CB 2.172 40.283 38.000 0.185 0.000 1.289 387 I HN 0.469 nan 8.210 nan 0.000 0.438 388 S N 5.880 121.628 115.700 0.079 0.000 2.438 388 S HA 0.499 4.968 4.470 -0.001 0.000 0.316 388 S C -0.582 174.041 174.600 0.039 0.000 1.084 388 S CA -0.552 57.678 58.200 0.050 0.000 1.107 388 S CB 0.705 63.918 63.200 0.023 0.000 0.981 388 S HN 0.321 nan 8.310 nan 0.000 0.466 389 V N 5.916 125.857 119.914 0.045 0.000 2.406 389 V HA 0.554 4.673 4.120 -0.001 0.000 0.272 389 V C 1.294 177.415 176.094 0.046 0.000 1.043 389 V CA -0.034 62.292 62.300 0.044 0.000 0.915 389 V CB 0.810 32.659 31.823 0.043 0.000 0.988 389 V HN 0.976 nan 8.190 nan 0.000 0.466 390 G N 3.295 112.119 108.800 0.040 0.000 2.882 390 G HA2 0.457 4.417 3.960 -0.001 0.000 0.164 390 G HA3 0.457 4.417 3.960 -0.001 0.000 0.164 390 G C 0.389 175.333 174.900 0.074 0.000 1.429 390 G CA -0.613 44.509 45.100 0.037 0.000 1.059 390 G HN 0.584 nan 8.290 nan 0.000 0.581 391 L N 0.132 121.370 121.223 0.024 0.000 2.640 391 L HA 0.265 4.604 4.340 -0.001 0.000 0.230 391 L C 0.277 177.133 176.870 -0.024 0.000 1.123 391 L CA -0.089 54.729 54.840 -0.037 0.000 0.900 391 L CB 0.009 41.981 42.059 -0.145 0.000 1.146 391 L HN 0.323 nan 8.230 nan 0.000 0.484 392 E N 0.758 120.970 120.200 0.020 0.000 2.422 392 E HA -0.070 4.280 4.350 -0.001 0.000 0.260 392 E C 0.184 176.824 176.600 0.067 0.000 1.108 392 E CA 0.019 56.431 56.400 0.020 0.000 0.943 392 E CB 0.291 29.995 29.700 0.008 0.000 0.961 392 E HN 0.022 nan 8.360 nan 0.000 0.443 393 D N 0.930 121.355 120.400 0.041 0.000 2.531 393 D HA -0.083 4.556 4.640 -0.001 0.000 0.239 393 D C 0.226 176.538 176.300 0.019 0.000 1.144 393 D CA 0.345 54.374 54.000 0.047 0.000 0.869 393 D CB 0.819 41.628 40.800 0.015 0.000 1.160 393 D HN 0.350 nan 8.370 nan 0.000 0.484 394 T N 3.317 117.878 114.554 0.011 0.000 2.759 394 T HA -0.152 4.197 4.350 -0.001 0.000 0.269 394 T C 1.137 175.786 174.700 -0.084 0.000 1.042 394 T CA 0.986 63.060 62.100 -0.044 0.000 1.140 394 T CB 0.050 68.875 68.868 -0.073 0.000 0.864 394 T HN 0.500 nan 8.240 nan 0.000 0.455 395 D N 1.096 121.451 120.400 -0.074 0.000 2.183 395 D HA -0.066 4.573 4.640 -0.001 0.000 0.203 395 D C 1.787 178.027 176.300 -0.100 0.000 0.969 395 D CA 0.804 54.743 54.000 -0.102 0.000 0.842 395 D CB -0.242 40.515 40.800 -0.073 0.000 0.957 395 D HN 0.315 nan 8.370 nan 0.000 0.484 396 D N 0.642 121.004 120.400 -0.064 0.000 2.144 396 D HA -0.073 4.566 4.640 -0.001 0.000 0.199 396 D C 2.404 178.665 176.300 -0.065 0.000 0.984 396 D CA 0.364 54.332 54.000 -0.053 0.000 0.834 396 D CB -0.217 40.565 40.800 -0.029 0.000 0.955 396 D HN 0.236 nan 8.370 nan 0.000 0.465 397 L N 0.343 121.525 121.223 -0.069 0.000 2.027 397 L HA -0.109 4.230 4.340 -0.001 0.000 0.206 397 L C 2.551 179.343 176.870 -0.129 0.000 1.074 397 L CA 0.720 55.516 54.840 -0.072 0.000 0.745 397 L CB -0.308 41.720 42.059 -0.051 0.000 0.898 397 L HN -0.008 nan 8.230 nan 0.000 0.433 398 I N -0.034 120.403 120.570 -0.221 0.000 2.208 398 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 398 I C 2.793 178.710 176.117 -0.335 0.000 1.097 398 I CA 1.198 62.238 61.300 -0.433 0.000 1.363 398 I CB -0.432 37.167 38.000 -0.669 0.000 1.051 398 I HN 0.223 nan 8.210 nan 0.000 0.413 399 A N 0.215 122.914 122.820 -0.201 0.000 1.902 399 A HA -0.301 4.018 4.320 -0.001 0.000 0.217 399 A C 1.998 179.549 177.584 -0.054 0.000 1.181 399 A CA 2.335 54.308 52.037 -0.106 0.000 0.623 399 A CB -0.667 18.290 19.000 -0.072 0.000 0.818 399 A HN 0.427 nan 8.150 nan 0.000 0.443 400 D N -0.169 120.199 120.400 -0.052 0.000 2.097 400 D HA -0.100 4.539 4.640 -0.001 0.000 0.197 400 D C 1.737 178.034 176.300 -0.005 0.000 0.984 400 D CA 1.364 55.352 54.000 -0.021 0.000 0.826 400 D CB -0.221 40.569 40.800 -0.017 0.000 0.973 400 D HN 0.480 nan 8.370 nan 0.000 0.460 401 I N 0.110 120.670 120.570 -0.018 0.000 2.226 401 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 401 I C 2.025 178.167 176.117 0.043 0.000 1.100 401 I CA 1.262 62.569 61.300 0.013 0.000 1.374 401 I CB -0.264 37.741 38.000 0.008 0.000 1.057 401 I HN 0.019 nan 8.210 nan 0.000 0.413 402 D N 0.770 121.221 120.400 0.085 0.000 2.117 402 D HA -0.231 4.408 4.640 -0.001 0.000 0.197 402 D C 2.336 178.711 176.300 0.125 0.000 0.987 402 D CA 1.239 55.358 54.000 0.199 0.000 0.829 402 D CB -0.008 40.958 40.800 0.276 0.000 0.961 402 D HN 0.084 nan 8.370 nan 0.000 0.460 403 R N -0.258 120.284 120.500 0.070 0.000 2.092 403 R HA -0.019 4.320 4.340 -0.001 0.000 0.231 403 R C 2.082 178.410 176.300 0.047 0.000 1.119 403 R CA 1.220 57.353 56.100 0.054 0.000 0.970 403 R CB -0.243 30.076 30.300 0.032 0.000 0.864 403 R HN 0.178 nan 8.270 nan 0.000 0.440 404 A N 0.806 123.649 122.820 0.038 0.000 2.019 404 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 404 A C 2.043 179.650 177.584 0.039 0.000 1.164 404 A CA 0.987 53.047 52.037 0.037 0.000 0.644 404 A CB -0.287 18.738 19.000 0.041 0.000 0.805 404 A HN 0.350 nan 8.150 nan 0.000 0.449 405 L N -0.641 120.596 121.223 0.023 0.000 2.341 405 L HA 0.055 4.394 4.340 -0.001 0.000 0.214 405 L C 0.656 177.563 176.870 0.062 0.000 1.115 405 L CA 0.157 54.998 54.840 0.001 0.000 0.820 405 L CB -0.024 41.925 42.059 -0.184 0.000 0.944 405 L HN 0.254 nan 8.230 nan 0.000 0.452 406 S N 0.000 115.750 115.700 0.083 0.000 2.498 406 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 406 S CA 0.000 58.256 58.200 0.094 0.000 1.107 406 S CB 0.000 63.276 63.200 0.126 0.000 0.593 406 S HN 0.000 nan 8.310 nan 0.000 0.517