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 2w03_1_A DATA FIRST_RESID 7 DATA SEQUENCE DVLSRMISEK AALHGLLNCL IKEFAIPEGY LRYEWPDEMK GIPPGAYFDG DATA SEQUENCE ADWKGIPMMI GLPDQLQLFV MVDRRDTFGS QHYLSDVYLR QAXGDWQCPD DATA SEQUENCE FEPLVARLLA ACEHIAGRKN PELYEQILQS QRLVSAIVSH NGRQRADAPL DATA SEQUENCE QHYLQSEQGL WFGHPSHPAP KARLWPAHLG QEQWAPEFQA RAALHQFEVP DATA SEQUENCE VDGLHIGANG LTPQQVLDGF ADQQPASPGH AIICMHPVQA QLFMQDARVQ DATA SEQUENCE QLLRDNVIRD LGQSGRVASP TASIRTWFID DHDYFIKGSL NVRITNCVRK DATA SEQUENCE NAWYELESTV LIDRLFRQLL DQHADTLGGL VAAAEPGVVS WSPAAAGELD DATA SEQUENCE SHWFREQTGG ILRENFCRRT GAERSIMAGT LFARGVDLQP MIQTFLRTHY DATA SEQUENCE GEALDDNALL YWFDDYQTRL LRPVLSLFFN HGVVMEPHLQ NSVLVHQQGR DATA SEQUENCE PQQVLLRDFE GVKLTDDLGI RYIDDDIHPR VRQSLLYSRE QGWNRIMYCL DATA SEQUENCE FINHLSETIL ALSQGRPQLA PLMWRRVQQQ LRAIQGELKQ PSPELDALIA DATA SEQUENCE GHPVACKTNL KVRLAXXXXX XASYVRLPSP W 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.286 176.300 -0.023 0.000 2.045 7 D CA 0.000 53.983 54.000 -0.027 0.000 0.868 7 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 8 V N 1.289 121.191 119.914 -0.020 0.000 2.599 8 V HA 0.089 4.211 4.120 0.004 0.000 0.245 8 V C 2.450 178.530 176.094 -0.023 0.000 1.046 8 V CA 1.182 63.472 62.300 -0.018 0.000 1.065 8 V CB -0.332 31.485 31.823 -0.010 0.000 0.703 8 V HN 0.224 nan 8.190 nan 0.000 0.464 9 L N 0.430 121.640 121.223 -0.023 0.000 2.012 9 L HA -0.169 4.173 4.340 0.004 0.000 0.210 9 L C 2.529 179.378 176.870 -0.035 0.000 1.073 9 L CA 2.223 57.048 54.840 -0.025 0.000 0.748 9 L CB -0.597 41.447 42.059 -0.024 0.000 0.891 9 L HN 0.260 nan 8.230 nan 0.000 0.431 10 S N -0.540 115.136 115.700 -0.041 0.000 2.365 10 S HA -0.288 4.184 4.470 0.004 0.000 0.221 10 S C 2.055 176.623 174.600 -0.053 0.000 1.037 10 S CA 1.708 59.877 58.200 -0.051 0.000 1.060 10 S CB -0.457 62.710 63.200 -0.055 0.000 0.974 10 S HN 0.461 nan 8.310 nan 0.000 0.427 11 R N 0.436 120.904 120.500 -0.053 0.000 2.134 11 R HA -0.176 4.167 4.340 0.004 0.000 0.248 11 R C 2.279 178.518 176.300 -0.102 0.000 1.143 11 R CA 1.993 58.050 56.100 -0.073 0.000 0.957 11 R CB -0.319 29.949 30.300 -0.053 0.000 0.867 11 R HN 0.426 nan 8.270 nan 0.000 0.441 12 M N -0.499 119.057 119.600 -0.073 0.000 2.319 12 M HA -0.084 4.399 4.480 0.004 0.000 0.265 12 M C 2.058 178.307 176.300 -0.086 0.000 1.068 12 M CA 1.110 56.365 55.300 -0.076 0.000 1.118 12 M CB 0.052 32.629 32.600 -0.038 0.000 1.395 12 M HN 0.211 nan 8.290 nan 0.000 0.435 13 I N -0.196 120.337 120.570 -0.062 0.000 2.233 13 I HA -0.239 3.933 4.170 0.004 0.000 0.243 13 I C 2.623 178.713 176.117 -0.045 0.000 1.093 13 I CA 1.404 62.679 61.300 -0.042 0.000 1.380 13 I CB -0.327 37.682 38.000 0.015 0.000 1.067 13 I HN 0.314 nan 8.210 nan 0.000 0.413 14 S N 0.582 116.262 115.700 -0.033 0.000 2.383 14 S HA -0.219 4.254 4.470 0.004 0.000 0.229 14 S C 1.726 176.197 174.600 -0.215 0.000 1.030 14 S CA 1.317 59.498 58.200 -0.032 0.000 1.002 14 S CB -0.616 62.544 63.200 -0.068 0.000 0.829 14 S HN 0.511 nan 8.310 nan 0.000 0.467 15 E N 1.460 121.438 120.200 -0.370 0.000 2.107 15 E HA -0.062 4.290 4.350 0.004 0.000 0.191 15 E C 2.133 178.550 176.600 -0.306 0.000 0.982 15 E CA 0.976 56.971 56.400 -0.674 0.000 0.809 15 E CB -0.150 29.151 29.700 -0.665 0.000 0.756 15 E HN 0.602 nan 8.360 nan 0.000 0.459 16 K N 0.809 121.063 120.400 -0.244 0.000 2.097 16 K HA -0.101 4.222 4.320 0.004 0.000 0.205 16 K C 2.064 178.343 176.600 -0.535 0.000 1.050 16 K CA 1.036 57.112 56.287 -0.350 0.000 0.938 16 K CB -0.022 32.277 32.500 -0.335 0.000 0.718 16 K HN 0.091 nan 8.250 nan 0.000 0.442 17 A N 1.108 123.708 122.820 -0.366 0.000 1.832 17 A HA -0.040 4.283 4.320 0.004 0.000 0.214 17 A C 2.361 179.894 177.584 -0.085 0.000 1.204 17 A CA 1.670 53.508 52.037 -0.333 0.000 0.606 17 A CB -1.099 17.611 19.000 -0.484 0.000 0.849 17 A HN 0.414 nan 8.150 nan 0.000 0.445 18 A N -0.674 122.147 122.820 0.001 0.000 1.958 18 A HA -0.155 4.168 4.320 0.004 0.000 0.221 18 A C 2.161 179.880 177.584 0.226 0.000 1.178 18 A CA 2.001 54.117 52.037 0.131 0.000 0.642 18 A CB -0.648 18.428 19.000 0.126 0.000 0.816 18 A HN 0.714 nan 8.150 nan 0.000 0.453 19 L N -0.912 120.451 121.223 0.233 0.000 2.072 19 L HA -0.099 4.243 4.340 0.004 0.000 0.205 19 L C 2.275 179.222 176.870 0.129 0.000 1.079 19 L CA 2.196 57.188 54.840 0.253 0.000 0.752 19 L CB -0.706 41.527 42.059 0.289 0.000 0.906 19 L HN 0.585 nan 8.230 nan 0.000 0.436 20 H N -1.555 117.453 119.070 -0.102 0.000 2.423 20 H HA -0.034 4.524 4.556 0.004 0.000 0.297 20 H C 2.039 177.333 175.328 -0.058 0.000 1.075 20 H CA 0.466 56.372 56.048 -0.237 0.000 1.342 20 H CB -0.072 29.651 29.762 -0.064 0.000 1.395 20 H HN 0.531 nan 8.280 nan 0.000 0.530 21 G N 1.159 110.055 108.800 0.160 0.000 2.421 21 G HA2 -0.243 3.719 3.960 0.004 0.000 0.216 21 G HA3 -0.243 3.719 3.960 0.004 0.000 0.216 21 G C 1.684 176.666 174.900 0.136 0.000 1.171 21 G CA 0.443 45.644 45.100 0.167 0.000 0.775 21 G HN 0.293 nan 8.290 nan 0.000 0.543 22 L N -0.011 121.275 121.223 0.106 0.000 2.093 22 L HA 0.070 4.413 4.340 0.004 0.000 0.208 22 L C 2.873 179.768 176.870 0.042 0.000 1.085 22 L CA 0.714 55.598 54.840 0.073 0.000 0.755 22 L CB -0.170 41.924 42.059 0.058 0.000 0.904 22 L HN 0.214 nan 8.230 nan 0.000 0.435 23 L N -0.076 121.132 121.223 -0.026 0.000 2.012 23 L HA -0.299 4.044 4.340 0.004 0.000 0.210 23 L C 2.304 179.239 176.870 0.108 0.000 1.073 23 L CA 1.496 56.304 54.840 -0.053 0.000 0.748 23 L CB -0.858 40.957 42.059 -0.407 0.000 0.891 23 L HN 0.378 nan 8.230 nan 0.000 0.431 24 N N -0.514 118.289 118.700 0.171 0.000 2.091 24 N HA -0.203 4.539 4.740 0.004 0.000 0.193 24 N C 1.801 177.403 175.510 0.153 0.000 1.021 24 N CA 1.741 54.914 53.050 0.207 0.000 0.862 24 N CB -0.858 37.759 38.487 0.217 0.000 1.018 24 N HN 0.368 nan 8.380 nan 0.000 0.429 25 C N 0.144 119.519 119.300 0.125 0.000 2.548 25 C HA 0.006 4.468 4.460 0.004 0.000 0.284 25 C C 2.702 177.811 174.990 0.198 0.000 1.252 25 C CA 0.128 59.216 59.018 0.116 0.000 1.725 25 C CB -1.321 26.466 27.740 0.078 0.000 2.098 25 C HN 0.482 nan 8.230 nan 0.000 0.471 26 L N 1.006 122.347 121.223 0.197 0.000 2.082 26 L HA -0.246 4.097 4.340 0.004 0.000 0.223 26 L C 2.041 179.073 176.870 0.269 0.000 1.086 26 L CA 2.229 57.205 54.840 0.226 0.000 0.793 26 L CB -0.725 41.377 42.059 0.072 0.000 0.896 26 L HN 0.312 nan 8.230 nan 0.000 0.441 27 I N -0.737 119.943 120.570 0.184 0.000 2.133 27 I HA -0.256 3.916 4.170 0.004 0.000 0.238 27 I C 2.466 178.659 176.117 0.126 0.000 1.074 27 I CA 1.726 63.116 61.300 0.150 0.000 1.342 27 I CB -0.400 37.686 38.000 0.144 0.000 1.053 27 I HN 0.178 nan 8.210 nan 0.000 0.404 28 K N 0.210 120.676 120.400 0.109 0.000 2.097 28 K HA -0.120 4.202 4.320 0.004 0.000 0.205 28 K C 1.847 178.435 176.600 -0.020 0.000 1.050 28 K CA 1.401 57.718 56.287 0.051 0.000 0.938 28 K CB -0.100 32.431 32.500 0.053 0.000 0.718 28 K HN 0.380 nan 8.250 nan 0.000 0.442 29 E N -1.124 119.063 120.200 -0.022 0.000 2.400 29 E HA 0.015 4.368 4.350 0.004 0.000 0.195 29 E C 0.824 177.074 176.600 -0.584 0.000 1.012 29 E CA 0.607 56.823 56.400 -0.306 0.000 0.875 29 E CB 0.286 29.749 29.700 -0.395 0.000 0.859 29 E HN 0.238 nan 8.360 nan 0.000 0.498 30 F N -0.306 119.649 119.950 0.009 0.000 2.347 30 F HA 0.319 4.848 4.527 0.004 0.000 0.266 30 F C 2.201 178.012 175.800 0.018 0.000 0.884 30 F CA 0.150 58.176 58.000 0.043 0.000 1.123 30 F CB -0.392 38.683 39.000 0.124 0.000 1.098 30 F HN -0.070 nan 8.300 nan 0.000 0.803 31 A N 0.881 123.875 122.820 0.290 0.000 1.877 31 A HA -0.104 4.218 4.320 0.004 0.000 0.216 31 A C 2.106 179.695 177.584 0.008 0.000 1.186 31 A CA 1.804 53.949 52.037 0.179 0.000 0.620 31 A CB -1.036 18.061 19.000 0.162 0.000 0.822 31 A HN 0.396 nan 8.150 nan 0.000 0.443 32 I N -0.242 120.332 120.570 0.007 0.000 2.233 32 I HA -0.112 4.061 4.170 0.004 0.000 0.243 32 I C -0.499 175.573 176.117 -0.076 0.000 1.093 32 I CA 1.095 62.377 61.300 -0.029 0.000 1.380 32 I CB -1.119 36.886 38.000 0.008 0.000 1.067 32 I HN 0.241 nan 8.210 nan 0.000 0.413 33 P HA -0.125 nan 4.420 nan 0.000 0.216 33 P C 1.045 178.240 177.300 -0.175 0.000 1.153 33 P CA 1.354 64.382 63.100 -0.121 0.000 0.844 33 P CB -0.022 31.597 31.700 -0.135 0.000 0.787 34 E N -1.293 118.750 120.200 -0.262 0.000 2.479 34 E HA 0.222 4.575 4.350 0.004 0.000 0.193 34 E C 0.669 176.881 176.600 -0.647 0.000 1.049 34 E CA 0.187 56.311 56.400 -0.460 0.000 0.870 34 E CB -0.430 28.925 29.700 -0.574 0.000 0.944 34 E HN 0.145 nan 8.360 nan 0.000 0.492 35 G N 1.321 109.885 108.800 -0.394 0.000 2.198 35 G HA2 -0.279 3.683 3.960 0.004 0.000 0.257 35 G HA3 -0.279 3.683 3.960 0.004 0.000 0.257 35 G C 0.042 174.846 174.900 -0.161 0.000 1.042 35 G CA 0.131 45.085 45.100 -0.244 0.000 0.791 35 G HN 0.296 nan 8.290 nan 0.000 0.502 36 Y N -1.181 119.118 120.300 -0.003 0.000 2.493 36 Y HA 0.525 5.077 4.550 0.004 0.000 0.275 36 Y C 1.326 177.202 175.900 -0.039 0.000 1.183 36 Y CA -0.659 57.436 58.100 -0.007 0.000 1.258 36 Y CB 0.280 38.749 38.460 0.015 0.000 1.108 36 Y HN 0.434 nan 8.280 nan 0.000 0.521 37 L N 1.254 122.497 121.223 0.033 0.000 2.341 37 L HA 0.669 5.011 4.340 0.004 0.000 0.278 37 L C -0.933 175.825 176.870 -0.186 0.000 1.005 37 L CA -0.655 54.127 54.840 -0.097 0.000 0.818 37 L CB 0.874 42.842 42.059 -0.151 0.000 1.259 37 L HN -0.152 nan 8.230 nan 0.000 0.418 38 R N 4.159 124.510 120.500 -0.248 0.000 2.621 38 R HA 0.276 4.618 4.340 0.004 0.000 0.284 38 R C -1.645 174.443 176.300 -0.353 0.000 0.998 38 R CA -0.556 55.412 56.100 -0.220 0.000 0.895 38 R CB 1.447 31.703 30.300 -0.074 0.000 1.195 38 R HN 0.544 nan 8.270 nan 0.000 0.450 39 Y N 2.273 122.522 120.300 -0.085 0.000 2.632 39 Y HA 0.190 4.742 4.550 0.004 0.000 0.336 39 Y C 0.685 176.484 175.900 -0.167 0.000 1.237 39 Y CA -0.134 57.878 58.100 -0.148 0.000 1.595 39 Y CB 0.385 38.766 38.460 -0.131 0.000 1.508 39 Y HN 0.468 nan 8.280 nan 0.000 0.480 40 E N -0.030 120.098 120.200 -0.120 0.000 2.390 40 E HA 0.287 4.639 4.350 0.004 0.000 0.280 40 E C -1.675 174.811 176.600 -0.189 0.000 0.992 40 E CA -1.201 55.129 56.400 -0.116 0.000 0.790 40 E CB 0.956 30.662 29.700 0.009 0.000 1.248 40 E HN 0.287 nan 8.360 nan 0.000 0.447 41 W N 1.578 122.873 121.300 -0.009 0.000 2.202 41 W HA 0.328 4.992 4.660 0.005 0.000 0.332 41 W C -1.977 174.535 176.519 -0.011 0.000 1.263 41 W CA -1.127 56.190 57.345 -0.046 0.000 1.223 41 W CB 0.288 29.657 29.460 -0.152 0.000 1.128 41 W HN 0.406 nan 8.180 nan 0.000 0.573 42 P HA 0.014 nan 4.420 nan 0.000 0.274 42 P C 0.322 177.715 177.300 0.154 0.000 1.246 42 P CA -0.129 63.108 63.100 0.229 0.000 0.795 42 P CB 0.829 32.732 31.700 0.338 0.000 1.006 43 D N -0.554 119.924 120.400 0.130 0.000 2.077 43 D HA -0.112 4.530 4.640 0.004 0.000 0.196 43 D C 0.345 176.673 176.300 0.047 0.000 0.986 43 D CA 1.460 55.500 54.000 0.067 0.000 0.829 43 D CB -0.893 39.934 40.800 0.045 0.000 0.983 43 D HN 0.323 nan 8.370 nan 0.000 0.453 44 E N -0.919 119.327 120.200 0.076 0.000 2.249 44 E HA 0.240 4.592 4.350 0.004 0.000 0.280 44 E C 0.382 177.071 176.600 0.148 0.000 1.016 44 E CA -0.240 56.201 56.400 0.069 0.000 0.830 44 E CB 0.978 30.698 29.700 0.033 0.000 1.081 44 E HN -0.006 nan 8.360 nan 0.000 0.395 45 M N 2.278 121.904 119.600 0.044 0.000 2.337 45 M HA 0.125 4.608 4.480 0.004 0.000 0.256 45 M C 0.164 176.509 176.300 0.076 0.000 1.075 45 M CA -0.012 55.261 55.300 -0.045 0.000 1.024 45 M CB -0.289 32.156 32.600 -0.257 0.000 1.429 45 M HN 0.397 nan 8.290 nan 0.000 0.497 46 K N 1.199 121.668 120.400 0.115 0.000 2.477 46 K HA 0.071 4.393 4.320 0.004 0.000 0.275 46 K C 1.121 177.834 176.600 0.189 0.000 1.054 46 K CA 1.398 57.751 56.287 0.110 0.000 1.135 46 K CB 0.064 32.604 32.500 0.066 0.000 0.854 46 K HN 0.495 nan 8.250 nan 0.000 0.484 47 G N 3.775 112.672 108.800 0.162 0.000 2.313 47 G HA2 -0.246 3.716 3.960 0.004 0.000 0.215 47 G HA3 -0.246 3.716 3.960 0.004 0.000 0.215 47 G C 0.145 175.183 174.900 0.231 0.000 1.023 47 G CA -0.097 45.142 45.100 0.232 0.000 0.626 47 G HN 0.582 nan 8.290 nan 0.000 0.503 48 I N 4.628 125.212 120.570 0.023 0.000 2.337 48 I HA 0.313 4.485 4.170 0.004 0.000 0.291 48 I C -1.655 174.466 176.117 0.006 0.000 1.046 48 I CA -1.922 59.206 61.300 -0.287 0.000 1.324 48 I CB 1.282 38.751 38.000 -0.886 0.000 1.409 48 I HN 0.015 nan 8.210 nan 0.000 0.494 49 P HA 0.188 nan 4.420 nan 0.000 0.280 49 P C -2.216 175.221 177.300 0.229 0.000 1.244 49 P CA -1.589 61.621 63.100 0.183 0.000 0.784 49 P CB 0.635 32.449 31.700 0.190 0.000 0.913 50 P HA -0.263 nan 4.420 nan 0.000 0.219 50 P C 1.673 178.875 177.300 -0.163 0.000 1.158 50 P CA 2.270 65.305 63.100 -0.108 0.000 0.895 50 P CB -0.780 30.921 31.700 0.001 0.000 0.792 51 G N -0.182 108.642 108.800 0.041 0.000 2.499 51 G HA2 -0.234 3.728 3.960 0.004 0.000 0.221 51 G HA3 -0.234 3.728 3.960 0.004 0.000 0.221 51 G C 1.723 176.685 174.900 0.104 0.000 1.109 51 G CA 1.020 46.155 45.100 0.058 0.000 0.749 51 G HN 0.443 nan 8.290 nan 0.000 0.568 52 A N 0.195 123.127 122.820 0.186 0.000 1.968 52 A HA 0.143 4.466 4.320 0.004 0.000 0.217 52 A C 2.033 179.851 177.584 0.390 0.000 1.169 52 A CA 1.706 53.917 52.037 0.289 0.000 0.638 52 A CB -0.320 18.825 19.000 0.242 0.000 0.812 52 A HN 0.815 nan 8.150 nan 0.000 0.446 53 Y N -4.715 115.763 120.300 0.296 0.000 2.432 53 Y HA 0.591 5.143 4.550 0.004 0.000 0.252 53 Y C 0.126 176.405 175.900 0.632 0.000 1.097 53 Y CA -1.732 56.642 58.100 0.457 0.000 1.250 53 Y CB -0.119 38.687 38.460 0.576 0.000 1.245 53 Y HN 0.093 nan 8.280 nan 0.000 0.522 54 F N 3.491 123.333 119.950 -0.180 0.000 2.508 54 F HA 0.541 5.069 4.527 0.003 0.000 0.325 54 F C -0.345 175.411 175.800 -0.074 0.000 1.090 54 F CA -1.502 56.460 58.000 -0.064 0.000 0.945 54 F CB 1.670 40.524 39.000 -0.243 0.000 1.156 54 F HN 0.089 nan 8.300 nan 0.000 0.463 55 D N 2.064 121.968 120.400 -0.827 0.000 2.571 55 D HA 0.357 5.000 4.640 0.004 0.000 0.239 55 D C 1.110 176.907 176.300 -0.838 0.000 1.267 55 D CA 0.326 53.948 54.000 -0.630 0.000 0.823 55 D CB 0.473 41.109 40.800 -0.273 0.000 1.056 55 D HN 0.961 nan 8.370 nan 0.000 0.494 56 G N -0.029 107.744 108.800 -1.712 0.000 2.475 56 G HA2 -0.264 3.699 3.960 0.004 0.000 0.209 56 G HA3 -0.264 3.699 3.960 0.004 0.000 0.209 56 G C 1.194 175.794 174.900 -0.500 0.000 1.127 56 G CA 0.163 44.732 45.100 -0.886 0.000 0.681 56 G HN 0.790 nan 8.290 nan 0.000 0.517 57 A N -0.825 121.726 122.820 -0.448 0.000 1.909 57 A HA 0.568 4.890 4.320 0.004 0.000 0.209 57 A C 0.881 178.367 177.584 -0.165 0.000 1.247 57 A CA 2.172 54.090 52.037 -0.198 0.000 0.660 57 A CB 0.216 19.119 19.000 -0.161 0.000 0.910 57 A HN 0.549 nan 8.150 nan 0.000 0.465 58 D N -3.692 116.554 120.400 -0.256 0.000 2.677 58 D HA 0.405 5.047 4.640 0.004 0.000 0.298 58 D C -1.447 174.740 176.300 -0.189 0.000 1.250 58 D CA -0.746 53.095 54.000 -0.264 0.000 0.888 58 D CB 0.512 41.237 40.800 -0.126 0.000 1.397 58 D HN 0.238 nan 8.370 nan 0.000 0.461 59 W N 0.798 122.236 121.300 0.230 0.000 2.126 59 W HA 0.329 4.990 4.660 0.003 0.000 0.346 59 W C 1.247 177.875 176.519 0.182 0.000 1.279 59 W CA -0.527 56.997 57.345 0.298 0.000 1.259 59 W CB 0.480 30.210 29.460 0.449 0.000 1.133 59 W HN 0.037 nan 8.180 nan 0.000 0.592 60 K N 2.236 122.917 120.400 0.468 0.000 2.968 60 K HA 0.272 4.594 4.320 0.004 0.000 0.249 60 K C 0.668 177.397 176.600 0.216 0.000 1.062 60 K CA 0.450 56.891 56.287 0.257 0.000 1.215 60 K CB -0.560 32.077 32.500 0.230 0.000 1.097 60 K HN 0.770 nan 8.250 nan 0.000 0.462 61 G N 0.914 109.862 108.800 0.247 0.000 2.501 61 G HA2 -0.208 3.754 3.960 0.004 0.000 0.213 61 G HA3 -0.208 3.754 3.960 0.004 0.000 0.213 61 G C -0.840 174.130 174.900 0.116 0.000 1.158 61 G CA -0.911 44.275 45.100 0.143 0.000 1.079 61 G HN 0.181 nan 8.290 nan 0.000 0.586 62 I N 3.376 123.931 120.570 -0.024 0.000 2.433 62 I HA 0.435 4.608 4.170 0.004 0.000 0.292 62 I C -2.014 173.918 176.117 -0.308 0.000 1.001 62 I CA -2.285 58.933 61.300 -0.136 0.000 1.119 62 I CB 2.652 40.577 38.000 -0.124 0.000 1.289 62 I HN 0.286 nan 8.210 nan 0.000 0.438 63 P HA 0.070 nan 4.420 nan 0.000 0.271 63 P C -1.017 175.985 177.300 -0.497 0.000 1.226 63 P CA -0.120 62.468 63.100 -0.854 0.000 0.765 63 P CB 0.801 31.616 31.700 -1.475 0.000 0.835 64 M N 5.062 124.333 119.600 -0.548 0.000 2.243 64 M HA 0.469 4.952 4.480 0.004 0.000 0.324 64 M C -1.393 174.689 176.300 -0.363 0.000 1.031 64 M CA -0.679 54.391 55.300 -0.384 0.000 0.949 64 M CB 1.300 33.742 32.600 -0.262 0.000 1.615 64 M HN 0.242 nan 8.290 nan 0.000 0.430 65 M N 6.017 125.472 119.600 -0.242 0.000 2.326 65 M HA 0.532 5.014 4.480 0.004 0.000 0.306 65 M C -1.471 174.801 176.300 -0.046 0.000 1.054 65 M CA -0.574 54.685 55.300 -0.069 0.000 0.922 65 M CB 2.392 35.005 32.600 0.022 0.000 1.632 65 M HN 0.649 nan 8.290 nan 0.000 0.436 66 I N 1.528 122.118 120.570 0.034 0.000 2.436 66 I HA 0.415 4.587 4.170 0.004 0.000 0.289 66 I C 0.619 176.772 176.117 0.061 0.000 1.010 66 I CA -0.622 60.706 61.300 0.047 0.000 1.098 66 I CB 2.040 40.067 38.000 0.046 0.000 1.266 66 I HN 0.813 nan 8.210 nan 0.000 0.434 67 G N 7.545 116.374 108.800 0.049 0.000 2.770 67 G HA2 0.460 4.422 3.960 0.004 0.000 0.307 67 G HA3 0.460 4.422 3.960 0.004 0.000 0.307 67 G C -0.208 174.584 174.900 -0.180 0.000 0.863 67 G CA -0.372 44.718 45.100 -0.018 0.000 1.595 67 G HN 0.458 nan 8.290 nan 0.000 0.496 68 L N 4.454 125.565 121.223 -0.186 0.000 2.315 68 L HA 0.233 4.575 4.340 0.004 0.000 0.283 68 L C -1.409 175.272 176.870 -0.315 0.000 1.089 68 L CA -1.684 52.967 54.840 -0.314 0.000 0.833 68 L CB 1.748 43.692 42.059 -0.192 0.000 1.170 68 L HN 0.340 nan 8.230 nan 0.000 0.442 69 P HA 0.034 nan 4.420 nan 0.000 0.228 69 P C -0.750 176.437 177.300 -0.189 0.000 1.748 69 P CA 0.046 62.964 63.100 -0.304 0.000 0.909 69 P CB -0.097 31.396 31.700 -0.344 0.000 1.882 70 D N -0.101 120.191 120.400 -0.179 0.000 2.914 70 D HA 0.022 4.665 4.640 0.004 0.000 0.349 70 D C 0.348 176.560 176.300 -0.147 0.000 1.540 70 D CA -0.556 53.343 54.000 -0.168 0.000 0.778 70 D CB 0.114 40.786 40.800 -0.213 0.000 1.213 70 D HN -0.192 nan 8.370 nan 0.000 0.451 71 Q N -0.200 119.524 119.800 -0.128 0.000 2.324 71 Q HA -0.198 4.144 4.340 0.004 0.000 0.200 71 Q C 0.049 175.973 176.000 -0.127 0.000 0.645 71 Q CA 0.545 56.278 55.803 -0.118 0.000 1.377 71 Q CB -1.637 27.034 28.738 -0.112 0.000 1.486 71 Q HN 0.660 nan 8.270 nan 0.000 0.796 72 L N 1.433 122.581 121.223 -0.126 0.000 2.292 72 L HA 0.340 4.682 4.340 0.004 0.000 0.284 72 L C -0.015 176.808 176.870 -0.078 0.000 1.065 72 L CA -0.194 54.581 54.840 -0.109 0.000 0.806 72 L CB 0.840 42.838 42.059 -0.102 0.000 1.175 72 L HN -0.082 nan 8.230 nan 0.000 0.431 73 Q N 5.361 125.132 119.800 -0.050 0.000 2.365 73 Q HA 0.470 4.813 4.340 0.004 0.000 0.269 73 Q C -1.459 174.710 176.000 0.280 0.000 1.061 73 Q CA -0.622 55.218 55.803 0.062 0.000 0.816 73 Q CB 2.995 31.692 28.738 -0.069 0.000 1.325 73 Q HN 0.692 nan 8.270 nan 0.000 0.446 74 L N 3.082 124.511 121.223 0.343 0.000 2.356 74 L HA 0.568 4.910 4.340 0.004 0.000 0.277 74 L C -1.528 175.526 176.870 0.307 0.000 0.996 74 L CA -0.782 54.276 54.840 0.362 0.000 0.822 74 L CB 1.109 43.262 42.059 0.157 0.000 1.256 74 L HN 0.551 nan 8.230 nan 0.000 0.413 75 F N 6.081 126.030 119.950 -0.001 0.000 2.458 75 F HA 0.754 5.284 4.527 0.005 0.000 0.336 75 F C -1.379 174.346 175.800 -0.126 0.000 1.114 75 F CA -0.496 57.330 58.000 -0.291 0.000 0.987 75 F CB 1.716 40.138 39.000 -0.965 0.000 1.130 75 F HN 0.218 nan 8.300 nan 0.000 0.458 76 V N 7.730 127.072 119.914 -0.955 0.000 2.891 76 V HA 0.388 4.510 4.120 0.004 0.000 0.304 76 V C -1.242 174.423 176.094 -0.716 0.000 1.171 76 V CA -0.906 61.023 62.300 -0.618 0.000 0.943 76 V CB 2.197 33.945 31.823 -0.124 0.000 1.037 76 V HN 0.749 nan 8.190 nan 0.000 0.427 77 M N 6.566 125.895 119.600 -0.452 0.000 2.143 77 M HA 0.375 4.857 4.480 0.004 0.000 0.348 77 M C -0.169 176.057 176.300 -0.125 0.000 1.375 77 M CA -0.041 55.094 55.300 -0.276 0.000 1.124 77 M CB 0.789 33.367 32.600 -0.037 0.000 1.669 77 M HN 0.630 nan 8.290 nan 0.000 0.469 78 V N 1.248 121.075 119.914 -0.145 0.000 2.834 78 V HA 0.508 4.630 4.120 0.004 0.000 0.313 78 V C 0.659 176.706 176.094 -0.079 0.000 1.060 78 V CA -0.747 61.474 62.300 -0.132 0.000 0.989 78 V CB 1.676 33.413 31.823 -0.144 0.000 1.041 78 V HN 0.839 nan 8.190 nan 0.000 0.459 79 D N 1.066 121.427 120.400 -0.065 0.000 2.325 79 D HA 0.140 4.782 4.640 0.004 0.000 0.225 79 D C 0.409 176.685 176.300 -0.041 0.000 1.096 79 D CA -0.054 53.934 54.000 -0.020 0.000 0.844 79 D CB 0.051 40.867 40.800 0.026 0.000 0.925 79 D HN 0.939 nan 8.370 nan 0.000 0.513 80 R N -1.680 118.764 120.500 -0.094 0.000 3.321 80 R HA 0.265 4.607 4.340 0.004 0.000 0.271 80 R C -1.551 174.605 176.300 -0.241 0.000 0.994 80 R CA -0.895 55.123 56.100 -0.137 0.000 0.920 80 R CB 0.414 30.666 30.300 -0.080 0.000 1.271 80 R HN -0.189 nan 8.270 nan 0.000 0.531 81 R N 1.477 121.755 120.500 -0.369 0.000 2.340 81 R HA 0.311 4.654 4.340 0.004 0.000 0.300 81 R C -0.917 175.229 176.300 -0.257 0.000 1.069 81 R CA -0.560 55.178 56.100 -0.603 0.000 0.984 81 R CB 0.785 30.673 30.300 -0.687 0.000 1.003 81 R HN 0.574 nan 8.270 nan 0.000 0.459 82 D N 1.262 121.597 120.400 -0.109 0.000 2.891 82 D HA 0.020 4.663 4.640 0.004 0.000 0.224 82 D C 0.814 177.117 176.300 0.005 0.000 1.321 82 D CA -0.338 53.629 54.000 -0.055 0.000 0.929 82 D CB 1.754 42.542 40.800 -0.020 0.000 1.551 82 D HN 0.577 nan 8.370 nan 0.000 0.574 83 T N 0.778 115.270 114.554 -0.103 0.000 2.833 83 T HA -0.126 4.226 4.350 0.004 0.000 0.269 83 T C 1.594 176.374 174.700 0.133 0.000 1.054 83 T CA 0.817 62.871 62.100 -0.077 0.000 1.135 83 T CB -0.208 68.492 68.868 -0.279 0.000 0.869 83 T HN 0.284 nan 8.240 nan 0.000 0.466 84 F N 1.816 121.696 119.950 -0.117 0.000 2.797 84 F HA 0.454 4.984 4.527 0.004 0.000 0.302 84 F C 2.222 178.027 175.800 0.007 0.000 1.130 84 F CA -0.854 57.111 58.000 -0.059 0.000 1.387 84 F CB -0.862 38.115 39.000 -0.039 0.000 1.107 84 F HN 0.450 nan 8.300 nan 0.000 0.577 85 G N -0.206 108.709 108.800 0.192 0.000 2.184 85 G HA2 -0.295 3.667 3.960 0.004 0.000 0.264 85 G HA3 -0.295 3.667 3.960 0.004 0.000 0.264 85 G C 0.615 175.568 174.900 0.089 0.000 0.975 85 G CA 0.462 45.639 45.100 0.130 0.000 0.642 85 G HN 0.248 nan 8.290 nan 0.000 0.536 86 S N 2.245 118.018 115.700 0.122 0.000 2.503 86 S HA 0.470 4.942 4.470 0.004 0.000 0.317 86 S C 0.454 175.004 174.600 -0.083 0.000 1.162 86 S CA 0.591 58.822 58.200 0.052 0.000 1.124 86 S CB 0.413 63.707 63.200 0.157 0.000 1.207 86 S HN 0.825 nan 8.310 nan 0.000 0.538 87 Q N 2.674 122.331 119.800 -0.238 0.000 2.615 87 Q HA 0.403 4.746 4.340 0.004 0.000 0.298 87 Q C -1.395 174.241 176.000 -0.605 0.000 1.023 87 Q CA -0.977 54.613 55.803 -0.356 0.000 0.768 87 Q CB 1.005 29.564 28.738 -0.299 0.000 1.500 87 Q HN 0.502 nan 8.270 nan 0.000 0.441 88 H N 0.586 119.460 119.070 -0.327 0.000 2.473 88 H HA 0.341 4.899 4.556 0.004 0.000 0.327 88 H C -0.899 174.176 175.328 -0.422 0.000 1.105 88 H CA -0.265 55.616 56.048 -0.279 0.000 1.280 88 H CB 0.725 30.430 29.762 -0.095 0.000 1.450 88 H HN 0.472 nan 8.280 nan 0.000 0.492 89 Y N 2.404 122.646 120.300 -0.096 0.000 2.383 89 Y HA 0.128 4.680 4.550 0.004 0.000 0.344 89 Y C 1.076 176.953 175.900 -0.038 0.000 0.986 89 Y CA -0.493 57.490 58.100 -0.195 0.000 1.175 89 Y CB 0.802 38.918 38.460 -0.574 0.000 1.152 89 Y HN 0.434 nan 8.280 nan 0.000 0.511 90 L N 3.054 124.347 121.223 0.117 0.000 2.818 90 L HA 0.254 4.597 4.340 0.004 0.000 0.243 90 L C 0.311 177.277 176.870 0.160 0.000 1.185 90 L CA -0.114 54.804 54.840 0.130 0.000 0.988 90 L CB -0.245 41.866 42.059 0.087 0.000 1.292 90 L HN 0.646 nan 8.230 nan 0.000 0.519 91 S N -3.395 112.416 115.700 0.185 0.000 2.671 91 S HA 0.462 4.935 4.470 0.004 0.000 0.277 91 S C -0.916 173.846 174.600 0.269 0.000 1.165 91 S CA -1.037 57.307 58.200 0.240 0.000 0.822 91 S CB 2.031 65.392 63.200 0.269 0.000 1.150 91 S HN -0.089 nan 8.310 nan 0.000 0.479 92 D N 0.422 121.023 120.400 0.335 0.000 2.369 92 D HA 0.379 5.021 4.640 0.004 0.000 0.241 92 D C -0.146 176.356 176.300 0.336 0.000 1.271 92 D CA -0.082 54.091 54.000 0.287 0.000 0.942 92 D CB 0.484 41.411 40.800 0.211 0.000 1.129 92 D HN 0.402 nan 8.370 nan 0.000 0.476 93 V N 1.012 121.031 119.914 0.174 0.000 2.481 93 V HA 0.263 4.385 4.120 0.004 0.000 0.286 93 V C -0.628 175.546 176.094 0.134 0.000 1.042 93 V CA -0.356 62.057 62.300 0.189 0.000 0.928 93 V CB 0.473 32.342 31.823 0.077 0.000 0.986 93 V HN 0.351 nan 8.190 nan 0.000 0.462 94 Y N 4.545 124.953 120.300 0.181 0.000 2.485 94 Y HA 0.769 5.321 4.550 0.003 0.000 0.345 94 Y C -0.105 176.073 175.900 0.463 0.000 0.998 94 Y CA -0.882 57.373 58.100 0.258 0.000 1.059 94 Y CB 2.033 40.565 38.460 0.121 0.000 1.234 94 Y HN 0.385 nan 8.280 nan 0.000 0.461 95 L N 2.364 123.991 121.223 0.674 0.000 2.376 95 L HA 0.703 5.046 4.340 0.004 0.000 0.258 95 L C -0.633 176.366 176.870 0.214 0.000 1.013 95 L CA -0.971 54.172 54.840 0.504 0.000 0.822 95 L CB 2.758 44.940 42.059 0.205 0.000 1.388 95 L HN 0.579 nan 8.230 nan 0.000 0.413 96 R N -0.159 120.233 120.500 -0.179 0.000 2.905 96 R HA 0.512 4.855 4.340 0.004 0.000 0.260 96 R C -0.589 175.555 176.300 -0.260 0.000 1.086 96 R CA -0.595 55.241 56.100 -0.440 0.000 0.978 96 R CB 2.193 31.875 30.300 -1.029 0.000 1.215 96 R HN 0.517 nan 8.270 nan 0.000 0.480 97 Q N -0.608 119.046 119.800 -0.243 0.000 2.536 97 Q HA 0.349 4.691 4.340 0.004 0.000 0.212 97 Q C -0.058 175.844 176.000 -0.163 0.000 0.743 97 Q CA 0.507 56.209 55.803 -0.170 0.000 0.929 97 Q CB 0.441 29.104 28.738 -0.124 0.000 1.313 97 Q HN 0.655 nan 8.270 nan 0.000 0.524 101 D N -0.002 120.288 120.400 -0.184 0.000 2.217 101 D HA 0.471 5.113 4.640 0.004 0.000 0.243 101 D C -0.518 175.733 176.300 -0.082 0.000 1.054 101 D CA -0.090 53.844 54.000 -0.110 0.000 0.838 101 D CB 1.153 41.947 40.800 -0.010 0.000 1.162 101 D HN 0.344 nan 8.370 nan 0.000 0.472 102 W N 1.479 122.801 121.300 0.037 0.000 2.158 102 W HA 0.242 4.904 4.660 0.003 0.000 0.339 102 W C 0.756 177.370 176.519 0.158 0.000 1.294 102 W CA -0.137 57.270 57.345 0.104 0.000 1.231 102 W CB 0.593 30.107 29.460 0.090 0.000 1.143 102 W HN 0.055 nan 8.180 nan 0.000 0.571 103 Q N 1.663 121.739 119.800 0.459 0.000 2.462 103 Q HA 0.405 4.747 4.340 0.004 0.000 0.285 103 Q C -1.487 174.537 176.000 0.040 0.000 1.035 103 Q CA -1.017 54.915 55.803 0.215 0.000 0.799 103 Q CB 2.387 31.192 28.738 0.111 0.000 1.452 103 Q HN 0.514 nan 8.270 nan 0.000 0.404 104 C N 3.146 122.363 119.300 -0.139 0.000 2.816 104 C HA 0.496 4.959 4.460 0.004 0.000 0.255 104 C C -2.157 172.749 174.990 -0.139 0.000 1.141 104 C CA -1.544 57.264 59.018 -0.350 0.000 1.554 104 C CB -0.660 26.631 27.740 -0.748 0.000 1.778 104 C HN 0.564 nan 8.230 nan 0.000 0.429 105 P HA 0.254 nan 4.420 nan 0.000 0.269 105 P C -0.091 177.205 177.300 -0.007 0.000 1.215 105 P CA 0.295 63.380 63.100 -0.025 0.000 0.780 105 P CB 0.831 32.518 31.700 -0.020 0.000 0.898 106 D N 0.221 120.634 120.400 0.022 0.000 2.335 106 D HA -0.068 4.575 4.640 0.004 0.000 0.236 106 D C 1.052 177.408 176.300 0.094 0.000 1.297 106 D CA -0.207 53.834 54.000 0.069 0.000 0.906 106 D CB -0.071 40.778 40.800 0.081 0.000 1.164 106 D HN 0.329 nan 8.370 nan 0.000 0.469 107 F N 0.608 120.563 119.950 0.008 0.000 2.075 107 F HA -0.176 4.353 4.527 0.003 0.000 0.297 107 F C 2.027 177.846 175.800 0.032 0.000 1.113 107 F CA 1.630 59.637 58.000 0.012 0.000 1.218 107 F CB -0.036 38.967 39.000 0.005 0.000 0.984 107 F HN 0.287 nan 8.300 nan 0.000 0.472 108 E N 0.989 121.222 120.200 0.055 0.000 2.021 108 E HA -0.229 4.123 4.350 0.004 0.000 0.200 108 E C -0.271 176.316 176.600 -0.022 0.000 1.015 108 E CA 1.932 58.334 56.400 0.003 0.000 0.824 108 E CB -2.076 27.701 29.700 0.128 0.000 0.762 108 E HN 0.385 nan 8.360 nan 0.000 0.454 109 P HA -0.135 nan 4.420 nan 0.000 0.220 109 P C 1.722 178.982 177.300 -0.067 0.000 1.148 109 P CA 0.854 63.939 63.100 -0.024 0.000 0.803 109 P CB -0.044 31.649 31.700 -0.011 0.000 0.782 110 L N -0.202 120.958 121.223 -0.104 0.000 2.131 110 L HA -0.088 4.255 4.340 0.004 0.000 0.210 110 L C 2.275 179.033 176.870 -0.188 0.000 1.092 110 L CA 1.614 56.376 54.840 -0.130 0.000 0.759 110 L CB -1.068 40.918 42.059 -0.122 0.000 0.903 110 L HN -0.216 nan 8.230 nan 0.000 0.435 111 V N -0.607 119.135 119.914 -0.287 0.000 2.446 111 V HA -0.102 4.020 4.120 0.004 0.000 0.244 111 V C 2.743 178.814 176.094 -0.037 0.000 1.039 111 V CA 1.124 63.292 62.300 -0.220 0.000 1.045 111 V CB -1.165 30.458 31.823 -0.334 0.000 0.681 111 V HN 0.518 nan 8.190 nan 0.000 0.459 112 A N 0.172 122.998 122.820 0.010 0.000 1.940 112 A HA -0.349 3.974 4.320 0.004 0.000 0.221 112 A C 2.368 179.886 177.584 -0.109 0.000 1.190 112 A CA 2.793 54.774 52.037 -0.094 0.000 0.647 112 A CB -0.494 18.429 19.000 -0.128 0.000 0.821 112 A HN 0.496 nan 8.150 nan 0.000 0.457 113 R N -1.363 119.084 120.500 -0.088 0.000 2.087 113 R HA 0.288 4.630 4.340 0.004 0.000 0.216 113 R C 2.155 178.404 176.300 -0.085 0.000 1.114 113 R CA 0.591 56.640 56.100 -0.085 0.000 1.002 113 R CB -0.297 29.961 30.300 -0.069 0.000 0.903 113 R HN 0.495 nan 8.270 nan 0.000 0.445 114 L N 0.522 121.695 121.223 -0.083 0.000 1.990 114 L HA -0.247 4.095 4.340 0.004 0.000 0.213 114 L C 2.256 179.059 176.870 -0.111 0.000 1.072 114 L CA 1.195 55.980 54.840 -0.091 0.000 0.755 114 L CB -0.452 41.556 42.059 -0.084 0.000 0.889 114 L HN 0.240 nan 8.230 nan 0.000 0.432 115 L N -0.244 120.927 121.223 -0.086 0.000 2.012 115 L HA -0.221 4.122 4.340 0.004 0.000 0.210 115 L C 2.649 179.466 176.870 -0.089 0.000 1.073 115 L CA 2.003 56.798 54.840 -0.075 0.000 0.748 115 L CB -0.614 41.440 42.059 -0.008 0.000 0.891 115 L HN 0.211 nan 8.230 nan 0.000 0.431 116 A N -0.836 121.933 122.820 -0.084 0.000 1.908 116 A HA -0.190 4.133 4.320 0.004 0.000 0.218 116 A C 2.411 179.974 177.584 -0.035 0.000 1.181 116 A CA 2.010 54.011 52.037 -0.060 0.000 0.627 116 A CB -1.095 17.859 19.000 -0.078 0.000 0.818 116 A HN 0.560 nan 8.150 nan 0.000 0.445 117 A N -1.322 121.445 122.820 -0.090 0.000 1.872 117 A HA -0.109 4.213 4.320 0.004 0.000 0.214 117 A C 2.291 179.780 177.584 -0.159 0.000 1.187 117 A CA 1.412 53.382 52.037 -0.111 0.000 0.614 117 A CB -1.330 17.582 19.000 -0.145 0.000 0.826 117 A HN 0.574 nan 8.150 nan 0.000 0.442 118 C N -0.311 118.830 119.300 -0.265 0.000 2.391 118 C HA -0.185 4.277 4.460 0.004 0.000 0.276 118 C C 2.684 177.505 174.990 -0.281 0.000 1.217 118 C CA 1.586 60.314 59.018 -0.484 0.000 1.766 118 C CB -1.373 26.064 27.740 -0.504 0.000 2.046 118 C HN 0.707 nan 8.230 nan 0.000 0.475 119 E N -1.075 119.046 120.200 -0.132 0.000 2.085 119 E HA -0.217 4.135 4.350 0.004 0.000 0.194 119 E C 2.007 178.543 176.600 -0.106 0.000 0.994 119 E CA 1.211 57.559 56.400 -0.085 0.000 0.801 119 E CB -0.261 29.392 29.700 -0.079 0.000 0.743 119 E HN 0.739 nan 8.360 nan 0.000 0.453 120 H N -0.294 118.727 119.070 -0.081 0.000 2.423 120 H HA -0.052 4.507 4.556 0.004 0.000 0.297 120 H C 2.172 177.486 175.328 -0.023 0.000 1.075 120 H CA 1.036 57.051 56.048 -0.055 0.000 1.342 120 H CB 0.146 29.863 29.762 -0.074 0.000 1.395 120 H HN 0.140 nan 8.280 nan 0.000 0.530 121 I N 0.592 121.198 120.570 0.060 0.000 2.394 121 I HA -0.163 4.009 4.170 0.004 0.000 0.251 121 I C 2.439 178.679 176.117 0.206 0.000 1.136 121 I CA 1.161 62.539 61.300 0.130 0.000 1.425 121 I CB -0.035 38.040 38.000 0.125 0.000 1.079 121 I HN 0.129 nan 8.210 nan 0.000 0.425 122 A N -0.420 122.499 122.820 0.165 0.000 2.308 122 A HA 0.459 4.782 4.320 0.004 0.000 0.217 122 A C 2.062 179.679 177.584 0.056 0.000 1.216 122 A CA 0.551 52.697 52.037 0.182 0.000 0.864 122 A CB -0.649 18.502 19.000 0.252 0.000 0.902 122 A HN 0.477 nan 8.150 nan 0.000 0.499 123 G N -0.314 108.481 108.800 -0.009 0.000 2.343 123 G HA2 -0.331 3.632 3.960 0.004 0.000 0.264 123 G HA3 -0.331 3.632 3.960 0.004 0.000 0.264 123 G C 0.536 175.376 174.900 -0.100 0.000 0.989 123 G CA 0.982 46.037 45.100 -0.075 0.000 0.627 123 G HN 0.643 nan 8.290 nan 0.000 0.549 124 R N 0.055 120.520 120.500 -0.058 0.000 2.711 124 R HA 0.638 4.981 4.340 0.004 0.000 0.284 124 R C -0.307 175.962 176.300 -0.052 0.000 0.968 124 R CA -0.745 55.325 56.100 -0.049 0.000 0.924 124 R CB 1.472 31.762 30.300 -0.016 0.000 1.162 124 R HN 0.178 nan 8.270 nan 0.000 0.465 125 K N 1.471 121.842 120.400 -0.049 0.000 2.259 125 K HA 0.320 4.642 4.320 0.004 0.000 0.249 125 K C -0.685 175.907 176.600 -0.014 0.000 0.942 125 K CA -0.970 55.292 56.287 -0.041 0.000 0.816 125 K CB 1.722 34.189 32.500 -0.056 0.000 1.155 125 K HN 0.314 nan 8.250 nan 0.000 0.428 126 N N 2.857 121.558 118.700 0.002 0.000 2.648 126 N HA 0.231 4.973 4.740 0.004 0.000 0.261 126 N C -2.389 173.148 175.510 0.045 0.000 1.138 126 N CA -1.885 51.178 53.050 0.022 0.000 0.804 126 N CB 1.439 39.943 38.487 0.028 0.000 1.237 126 N HN 0.202 nan 8.380 nan 0.000 0.532 127 P HA -0.107 nan 4.420 nan 0.000 0.216 127 P C 0.919 178.289 177.300 0.117 0.000 1.150 127 P CA 1.171 64.313 63.100 0.069 0.000 0.843 127 P CB 0.618 32.341 31.700 0.038 0.000 0.787 128 E N -0.830 119.416 120.200 0.077 0.000 2.049 128 E HA -0.219 4.134 4.350 0.004 0.000 0.198 128 E C 1.890 178.532 176.600 0.069 0.000 1.007 128 E CA 0.981 57.421 56.400 0.066 0.000 0.809 128 E CB -0.753 28.973 29.700 0.043 0.000 0.749 128 E HN 0.079 nan 8.360 nan 0.000 0.450 129 L N 0.734 122.001 121.223 0.073 0.000 2.021 129 L HA -0.260 4.082 4.340 0.004 0.000 0.215 129 L C 2.218 179.140 176.870 0.087 0.000 1.074 129 L CA 1.905 56.788 54.840 0.071 0.000 0.760 129 L CB -0.995 41.106 42.059 0.069 0.000 0.889 129 L HN 0.204 nan 8.230 nan 0.000 0.433 130 Y N 0.965 121.265 120.300 0.001 0.000 2.040 130 Y HA -0.309 4.243 4.550 0.004 0.000 0.275 130 Y C 2.476 178.382 175.900 0.011 0.000 1.171 130 Y CA 2.513 60.611 58.100 -0.004 0.000 1.123 130 Y CB -0.474 37.977 38.460 -0.014 0.000 0.963 130 Y HN 0.442 nan 8.280 nan 0.000 0.493 131 E N -0.399 119.735 120.200 -0.110 0.000 2.150 131 E HA -0.247 4.106 4.350 0.004 0.000 0.193 131 E C 2.156 178.667 176.600 -0.150 0.000 0.985 131 E CA 1.226 57.514 56.400 -0.187 0.000 0.814 131 E CB -0.221 29.480 29.700 0.002 0.000 0.752 131 E HN 0.687 nan 8.360 nan 0.000 0.466 132 Q N 0.579 120.333 119.800 -0.077 0.000 2.084 132 Q HA -0.144 4.198 4.340 0.004 0.000 0.202 132 Q C 2.322 178.287 176.000 -0.057 0.000 0.978 132 Q CA 1.033 56.805 55.803 -0.052 0.000 0.844 132 Q CB -0.090 28.641 28.738 -0.013 0.000 0.898 132 Q HN 0.333 nan 8.270 nan 0.000 0.426 133 I N 0.748 121.275 120.570 -0.073 0.000 2.127 133 I HA -0.328 3.844 4.170 0.004 0.000 0.241 133 I C 2.126 178.241 176.117 -0.003 0.000 1.075 133 I CA 1.295 62.579 61.300 -0.028 0.000 1.334 133 I CB -0.306 37.676 38.000 -0.030 0.000 1.040 133 I HN 0.252 nan 8.210 nan 0.000 0.405 134 L N -0.239 120.913 121.223 -0.118 0.000 2.191 134 L HA -0.236 4.106 4.340 0.004 0.000 0.212 134 L C 2.529 179.389 176.870 -0.018 0.000 1.103 134 L CA 1.235 56.056 54.840 -0.032 0.000 0.769 134 L CB -0.700 41.269 42.059 -0.150 0.000 0.908 134 L HN 0.353 nan 8.230 nan 0.000 0.438 135 Q N -0.652 119.119 119.800 -0.048 0.000 2.049 135 Q HA -0.174 4.168 4.340 0.004 0.000 0.198 135 Q C 2.557 178.545 176.000 -0.020 0.000 0.971 135 Q CA 1.679 57.462 55.803 -0.034 0.000 0.833 135 Q CB -0.081 28.627 28.738 -0.049 0.000 0.896 135 Q HN 0.348 nan 8.270 nan 0.000 0.434 136 S N 0.190 115.881 115.700 -0.015 0.000 2.382 136 S HA -0.191 4.281 4.470 0.004 0.000 0.228 136 S C 1.902 176.511 174.600 0.015 0.000 1.027 136 S CA 1.143 59.340 58.200 -0.006 0.000 0.991 136 S CB -0.064 63.137 63.200 0.002 0.000 0.823 136 S HN 0.306 nan 8.310 nan 0.000 0.469 137 Q N 0.688 120.504 119.800 0.027 0.000 2.123 137 Q HA -0.056 4.287 4.340 0.004 0.000 0.199 137 Q C 2.072 178.048 176.000 -0.041 0.000 0.966 137 Q CA 1.036 56.831 55.803 -0.014 0.000 0.845 137 Q CB -0.196 28.533 28.738 -0.016 0.000 0.907 137 Q HN 0.460 nan 8.270 nan 0.000 0.439 138 R N 0.307 120.797 120.500 -0.017 0.000 2.092 138 R HA -0.095 4.247 4.340 0.004 0.000 0.231 138 R C 2.367 178.672 176.300 0.009 0.000 1.119 138 R CA 0.576 56.669 56.100 -0.011 0.000 0.970 138 R CB -0.858 29.442 30.300 0.001 0.000 0.864 138 R HN 0.231 nan 8.270 nan 0.000 0.440 139 L N 1.092 122.327 121.223 0.020 0.000 2.017 139 L HA -0.120 4.223 4.340 0.004 0.000 0.208 139 L C 2.260 179.148 176.870 0.030 0.000 1.073 139 L CA 1.432 56.307 54.840 0.057 0.000 0.745 139 L CB -0.553 41.539 42.059 0.055 0.000 0.894 139 L HN -0.149 nan 8.230 nan 0.000 0.432 140 V N -1.076 118.834 119.914 -0.006 0.000 2.324 140 V HA -0.328 3.795 4.120 0.004 0.000 0.250 140 V C 2.723 178.774 176.094 -0.073 0.000 1.060 140 V CA 1.779 64.052 62.300 -0.045 0.000 1.042 140 V CB -1.243 30.596 31.823 0.027 0.000 0.650 140 V HN 0.637 nan 8.190 nan 0.000 0.450 141 S N 0.267 115.939 115.700 -0.046 0.000 2.414 141 S HA -0.315 4.158 4.470 0.004 0.000 0.225 141 S C 2.234 176.811 174.600 -0.039 0.000 1.041 141 S CA 2.301 60.472 58.200 -0.049 0.000 1.114 141 S CB -0.702 62.474 63.200 -0.041 0.000 1.064 141 S HN 0.701 nan 8.310 nan 0.000 0.420 142 A N 1.518 124.359 122.820 0.036 0.000 1.929 142 A HA -0.203 4.120 4.320 0.004 0.000 0.221 142 A C 2.181 179.788 177.584 0.039 0.000 1.211 142 A CA 2.229 54.358 52.037 0.154 0.000 0.657 142 A CB -1.212 17.980 19.000 0.321 0.000 0.827 142 A HN 0.687 nan 8.150 nan 0.000 0.462 143 I N -1.146 119.320 120.570 -0.172 0.000 2.090 143 I HA -0.245 3.927 4.170 0.004 0.000 0.236 143 I C 2.405 178.192 176.117 -0.550 0.000 1.064 143 I CA 1.521 62.498 61.300 -0.537 0.000 1.324 143 I CB -0.721 37.044 38.000 -0.391 0.000 1.044 143 I HN 0.199 nan 8.210 nan 0.000 0.399 144 V N 0.273 119.912 119.914 -0.457 0.000 2.250 144 V HA -0.406 3.717 4.120 0.004 0.000 0.253 144 V C 2.674 178.575 176.094 -0.322 0.000 1.065 144 V CA 2.528 64.563 62.300 -0.441 0.000 1.039 144 V CB -0.676 31.011 31.823 -0.227 0.000 0.647 144 V HN 0.468 nan 8.190 nan 0.000 0.446 145 S N -1.623 113.965 115.700 -0.185 0.000 2.370 145 S HA -0.306 4.166 4.470 0.004 0.000 0.226 145 S C 1.979 176.521 174.600 -0.097 0.000 1.033 145 S CA 2.230 60.367 58.200 -0.105 0.000 1.011 145 S CB -0.430 62.753 63.200 -0.028 0.000 0.852 145 S HN 0.866 nan 8.310 nan 0.000 0.457 146 H N 0.852 119.801 119.070 -0.202 0.000 2.395 146 H HA 0.173 4.732 4.556 0.004 0.000 0.299 146 H C 1.592 176.757 175.328 -0.272 0.000 1.070 146 H CA 1.687 57.632 56.048 -0.171 0.000 1.356 146 H CB 0.049 29.711 29.762 -0.167 0.000 1.401 146 H HN 0.410 nan 8.280 nan 0.000 0.524 147 N N -0.226 118.291 118.700 -0.305 0.000 2.236 147 N HA 0.019 4.761 4.740 0.004 0.000 0.196 147 N C 1.443 176.740 175.510 -0.354 0.000 1.114 147 N CA 0.592 53.404 53.050 -0.396 0.000 0.859 147 N CB 0.746 38.692 38.487 -0.902 0.000 0.982 147 N HN 0.364 nan 8.380 nan 0.000 0.493 148 G N 0.618 109.242 108.800 -0.294 0.000 2.708 148 G HA2 -0.141 3.822 3.960 0.004 0.000 0.210 148 G HA3 -0.141 3.822 3.960 0.004 0.000 0.210 148 G C 1.435 176.253 174.900 -0.138 0.000 1.141 148 G CA 0.088 45.058 45.100 -0.217 0.000 0.788 148 G HN 0.213 nan 8.290 nan 0.000 0.531 149 R N -0.927 119.495 120.500 -0.130 0.000 2.476 149 R HA 0.190 4.533 4.340 0.004 0.000 0.276 149 R C 0.340 176.606 176.300 -0.057 0.000 0.941 149 R CA -0.262 55.787 56.100 -0.085 0.000 1.088 149 R CB 0.334 30.581 30.300 -0.089 0.000 1.216 149 R HN 0.238 nan 8.270 nan 0.000 0.533 150 Q N 1.112 120.880 119.800 -0.053 0.000 2.260 150 Q HA 0.173 4.515 4.340 0.004 0.000 0.238 150 Q C -0.251 175.762 176.000 0.022 0.000 0.948 150 Q CA -0.279 55.522 55.803 -0.004 0.000 0.895 150 Q CB 1.278 30.030 28.738 0.024 0.000 1.218 150 Q HN 0.046 nan 8.270 nan 0.000 0.470 151 R N 0.419 120.944 120.500 0.041 0.000 2.537 151 R HA -0.041 4.301 4.340 0.004 0.000 0.281 151 R C 1.101 177.451 176.300 0.083 0.000 0.988 151 R CA 0.524 56.656 56.100 0.053 0.000 1.077 151 R CB 0.345 30.678 30.300 0.056 0.000 0.932 151 R HN 0.787 nan 8.270 nan 0.000 0.409 152 A N 3.663 126.531 122.820 0.079 0.000 1.997 152 A HA -0.219 4.104 4.320 0.004 0.000 0.221 152 A C 1.241 178.914 177.584 0.149 0.000 1.172 152 A CA 2.093 54.195 52.037 0.108 0.000 0.645 152 A CB -0.245 18.807 19.000 0.087 0.000 0.813 152 A HN 0.918 nan 8.150 nan 0.000 0.454 153 D N -1.818 118.662 120.400 0.133 0.000 2.431 153 D HA 0.405 5.047 4.640 0.004 0.000 0.213 153 D C 1.396 177.779 176.300 0.137 0.000 1.130 153 D CA 0.654 54.737 54.000 0.138 0.000 0.834 153 D CB -0.407 40.491 40.800 0.164 0.000 0.985 153 D HN 0.266 nan 8.370 nan 0.000 0.504 154 A N 1.991 124.893 122.820 0.136 0.000 1.927 154 A HA -0.155 4.167 4.320 0.004 0.000 0.220 154 A C -0.109 177.534 177.584 0.099 0.000 1.185 154 A CA 1.656 53.769 52.037 0.126 0.000 0.639 154 A CB -1.671 17.401 19.000 0.120 0.000 0.820 154 A HN 0.263 nan 8.150 nan 0.000 0.451 155 P HA -0.202 nan 4.420 nan 0.000 0.218 155 P C 1.206 178.465 177.300 -0.068 0.000 1.154 155 P CA 1.256 64.318 63.100 -0.064 0.000 0.872 155 P CB -0.229 31.361 31.700 -0.183 0.000 0.790 156 L N -1.496 119.696 121.223 -0.051 0.000 2.478 156 L HA -0.055 4.287 4.340 0.004 0.000 0.223 156 L C 2.114 179.020 176.870 0.060 0.000 1.140 156 L CA 0.709 55.460 54.840 -0.149 0.000 0.842 156 L CB -0.803 41.004 42.059 -0.421 0.000 0.953 156 L HN -0.005 nan 8.230 nan 0.000 0.452 157 Q N -0.797 119.117 119.800 0.190 0.000 2.369 157 Q HA 0.010 4.352 4.340 0.004 0.000 0.206 157 Q C 0.074 176.264 176.000 0.316 0.000 0.963 157 Q CA 0.857 56.843 55.803 0.305 0.000 0.894 157 Q CB -0.058 28.831 28.738 0.251 0.000 0.965 157 Q HN 0.517 nan 8.270 nan 0.000 0.475 158 H N -1.974 117.163 119.070 0.110 0.000 3.086 158 H HA 0.086 4.644 4.556 0.004 0.000 0.353 158 H C -0.146 175.199 175.328 0.027 0.000 1.134 158 H CA -0.574 55.531 56.048 0.095 0.000 1.248 158 H CB 0.750 30.552 29.762 0.067 0.000 1.878 158 H HN -0.068 nan 8.280 nan 0.000 0.527 159 Y N 3.730 123.946 120.300 -0.141 0.000 2.040 159 Y HA -0.310 4.243 4.550 0.004 0.000 0.275 159 Y C 1.790 177.607 175.900 -0.137 0.000 1.171 159 Y CA 2.389 60.410 58.100 -0.131 0.000 1.123 159 Y CB -0.000 38.329 38.460 -0.218 0.000 0.963 159 Y HN 0.613 nan 8.280 nan 0.000 0.493 160 L N 1.017 121.958 121.223 -0.470 0.000 2.131 160 L HA -0.213 4.129 4.340 0.004 0.000 0.210 160 L C 1.997 178.644 176.870 -0.371 0.000 1.092 160 L CA 1.810 56.283 54.840 -0.612 0.000 0.759 160 L CB -0.843 41.082 42.059 -0.224 0.000 0.903 160 L HN 0.434 nan 8.230 nan 0.000 0.435 161 Q N -1.074 118.621 119.800 -0.174 0.000 2.311 161 Q HA -0.075 4.268 4.340 0.004 0.000 0.203 161 Q C 2.179 178.032 176.000 -0.245 0.000 0.954 161 Q CA 1.287 57.004 55.803 -0.143 0.000 0.885 161 Q CB -0.047 28.674 28.738 -0.027 0.000 0.963 161 Q HN 0.766 nan 8.270 nan 0.000 0.471 162 S N 0.444 115.977 115.700 -0.279 0.000 2.425 162 S HA -0.039 4.434 4.470 0.004 0.000 0.225 162 S C 1.663 176.033 174.600 -0.384 0.000 1.024 162 S CA 0.295 58.306 58.200 -0.315 0.000 0.951 162 S CB 0.045 63.106 63.200 -0.233 0.000 0.796 162 S HN 0.171 nan 8.310 nan 0.000 0.498 163 E N 1.971 121.885 120.200 -0.478 0.000 2.204 163 E HA -0.104 4.249 4.350 0.004 0.000 0.195 163 E C 1.248 177.640 176.600 -0.348 0.000 0.990 163 E CA 1.010 57.161 56.400 -0.415 0.000 0.821 163 E CB -0.241 29.153 29.700 -0.510 0.000 0.750 163 E HN 0.822 nan 8.360 nan 0.000 0.477 164 Q N -0.859 118.723 119.800 -0.364 0.000 2.175 164 Q HA 0.290 4.633 4.340 0.004 0.000 0.225 164 Q C 0.936 176.521 176.000 -0.691 0.000 0.837 164 Q CA 0.158 55.748 55.803 -0.355 0.000 1.032 164 Q CB 1.064 29.690 28.738 -0.187 0.000 1.137 164 Q HN 0.041 nan 8.270 nan 0.000 0.483 165 G N 0.619 108.859 108.800 -0.934 0.000 3.863 165 G HA2 0.194 4.156 3.960 0.004 0.000 0.290 165 G HA3 0.194 4.156 3.960 0.004 0.000 0.290 165 G C -0.317 173.648 174.900 -1.558 0.000 1.018 165 G CA -0.233 43.749 45.100 -1.863 0.000 0.824 165 G HN 0.207 nan 8.290 nan 0.000 0.507 166 L N 0.872 121.567 121.223 -0.880 0.000 2.423 166 L HA 0.441 4.783 4.340 0.004 0.000 0.249 166 L C 0.910 177.581 176.870 -0.331 0.000 1.276 166 L CA -0.792 53.762 54.840 -0.478 0.000 1.199 166 L CB -0.627 41.264 42.059 -0.279 0.000 1.407 166 L HN 0.381 nan 8.230 nan 0.000 0.410 167 W N 1.269 122.387 121.300 -0.303 0.000 2.465 167 W HA -0.130 4.533 4.660 0.004 0.000 0.268 167 W C 0.955 177.005 176.519 -0.783 0.000 1.242 167 W CA 0.091 57.033 57.345 -0.672 0.000 1.248 167 W CB -0.060 28.747 29.460 -1.089 0.000 1.118 167 W HN 0.446 nan 8.180 nan 0.000 0.587 168 F N -1.168 118.865 119.950 0.139 0.000 2.767 168 F HA 0.423 4.952 4.527 0.004 0.000 0.323 168 F C 1.630 177.461 175.800 0.051 0.000 1.091 168 F CA 0.384 58.437 58.000 0.088 0.000 1.192 168 F CB -0.124 38.934 39.000 0.097 0.000 1.056 168 F HN -0.071 nan 8.300 nan 0.000 0.571 169 G N 0.327 109.217 108.800 0.150 0.000 2.509 169 G HA2 -0.285 3.677 3.960 0.004 0.000 0.256 169 G HA3 -0.285 3.677 3.960 0.004 0.000 0.256 169 G C -0.503 174.470 174.900 0.122 0.000 1.152 169 G CA -0.174 44.973 45.100 0.078 0.000 0.951 169 G HN 0.378 nan 8.290 nan 0.000 0.559 170 H N 3.538 122.632 119.070 0.040 0.000 2.944 170 H HA 0.366 4.925 4.556 0.004 0.000 0.278 170 H C -0.962 174.453 175.328 0.144 0.000 1.083 170 H CA -1.102 55.002 56.048 0.092 0.000 1.479 170 H CB 1.097 30.936 29.762 0.129 0.000 1.486 170 H HN 0.098 nan 8.280 nan 0.000 0.493 171 P HA -0.125 nan 4.420 nan 0.000 0.217 171 P C -0.031 177.461 177.300 0.320 0.000 1.151 171 P CA 1.332 64.583 63.100 0.252 0.000 0.849 171 P CB 0.415 32.211 31.700 0.160 0.000 0.787 172 S N -0.655 115.340 115.700 0.491 0.000 2.217 172 S HA 0.278 4.751 4.470 0.004 0.000 0.168 172 S C -0.533 174.119 174.600 0.087 0.000 1.526 172 S CA -0.275 58.100 58.200 0.292 0.000 1.150 172 S CB -0.355 63.002 63.200 0.261 0.000 1.158 172 S HN 0.157 nan 8.310 nan 0.000 0.473 173 H N 2.324 121.396 119.070 0.002 0.000 3.137 173 H HA 0.237 4.796 4.556 0.004 0.000 0.336 173 H C -2.704 172.622 175.328 -0.003 0.000 1.055 173 H CA -1.314 54.661 56.048 -0.121 0.000 1.349 173 H CB 2.353 31.986 29.762 -0.215 0.000 1.939 173 H HN 0.094 nan 8.280 nan 0.000 0.487 174 P HA 0.004 nan 4.420 nan 0.000 0.218 174 P C 0.282 177.710 177.300 0.214 0.000 1.149 174 P CA 0.909 64.124 63.100 0.192 0.000 0.817 174 P CB 0.576 32.337 31.700 0.102 0.000 0.785 175 A N -0.413 122.586 122.820 0.300 0.000 3.129 175 A HA 0.392 4.714 4.320 0.004 0.000 0.282 175 A C -1.497 175.992 177.584 -0.159 0.000 0.948 175 A CA -1.080 50.997 52.037 0.066 0.000 1.027 175 A CB 0.056 19.089 19.000 0.056 0.000 1.123 175 A HN 0.014 nan 8.150 nan 0.000 0.485 176 P HA -0.210 nan 4.420 nan 0.000 0.216 176 P C 0.860 178.060 177.300 -0.167 0.000 1.157 176 P CA 1.519 64.473 63.100 -0.244 0.000 0.880 176 P CB 0.253 31.950 31.700 -0.004 0.000 0.791 177 K N -0.901 119.449 120.400 -0.084 0.000 2.404 177 K HA 0.243 4.566 4.320 0.004 0.000 0.194 177 K C 0.911 177.446 176.600 -0.108 0.000 1.023 177 K CA -0.178 56.065 56.287 -0.074 0.000 1.094 177 K CB -0.117 32.367 32.500 -0.027 0.000 0.841 177 K HN 0.061 nan 8.250 nan 0.000 0.523 178 A N 1.909 124.655 122.820 -0.123 0.000 2.491 178 A HA 0.180 4.502 4.320 0.004 0.000 0.261 178 A C -0.195 177.255 177.584 -0.224 0.000 1.101 178 A CA 0.119 52.068 52.037 -0.147 0.000 0.772 178 A CB -0.056 18.883 19.000 -0.101 0.000 1.043 178 A HN 0.199 nan 8.150 nan 0.000 0.501 179 R N 2.661 122.952 120.500 -0.348 0.000 2.585 179 R HA 0.226 4.568 4.340 0.004 0.000 0.278 179 R C -0.689 175.200 176.300 -0.686 0.000 1.663 179 R CA -0.256 55.493 56.100 -0.585 0.000 1.592 179 R CB 1.022 30.753 30.300 -0.948 0.000 1.200 179 R HN 0.739 nan 8.270 nan 0.000 0.611 180 L N 4.548 125.568 121.223 -0.338 0.000 2.505 180 L HA 0.136 4.478 4.340 0.004 0.000 0.275 180 L C -0.734 176.087 176.870 -0.082 0.000 1.264 180 L CA -0.159 54.566 54.840 -0.191 0.000 1.148 180 L CB -0.234 41.783 42.059 -0.070 0.000 1.377 180 L HN 0.484 nan 8.230 nan 0.000 0.442 181 W N 3.632 124.950 121.300 0.030 0.000 2.594 181 W HA 0.585 5.248 4.660 0.004 0.000 0.365 181 W C -2.481 174.086 176.519 0.080 0.000 1.196 181 W CA -3.483 53.878 57.345 0.027 0.000 1.258 181 W CB -1.525 27.917 29.460 -0.030 0.000 1.405 181 W HN 0.117 nan 8.180 nan 0.000 0.640 182 P HA 0.076 nan 4.420 nan 0.000 0.253 182 P C 0.892 178.493 177.300 0.503 0.000 1.170 182 P CA 0.880 64.255 63.100 0.458 0.000 0.806 182 P CB 0.096 32.128 31.700 0.553 0.000 0.775 183 A N 4.321 127.366 122.820 0.375 0.000 2.042 183 A HA -0.258 4.064 4.320 0.004 0.000 0.222 183 A C 1.900 179.663 177.584 0.299 0.000 1.167 183 A CA 1.820 54.041 52.037 0.307 0.000 0.649 183 A CB -1.275 17.840 19.000 0.191 0.000 0.809 183 A HN 0.744 nan 8.150 nan 0.000 0.457 184 H N -1.393 117.784 119.070 0.177 0.000 2.545 184 H HA 0.049 4.608 4.556 0.004 0.000 0.282 184 H C 0.990 176.413 175.328 0.159 0.000 1.020 184 H CA 0.916 57.046 56.048 0.137 0.000 1.243 184 H CB -0.311 29.513 29.762 0.104 0.000 1.377 184 H HN 0.326 nan 8.280 nan 0.000 0.581 185 L N 1.337 122.466 121.223 -0.157 0.000 2.653 185 L HA 0.249 4.592 4.340 0.004 0.000 0.232 185 L C 1.156 178.177 176.870 0.252 0.000 1.169 185 L CA 1.014 55.837 54.840 -0.028 0.000 0.951 185 L CB -0.807 41.194 42.059 -0.097 0.000 1.181 185 L HN 0.660 nan 8.230 nan 0.000 0.460 186 G N 0.342 109.263 108.800 0.201 0.000 2.598 186 G HA2 -0.288 3.674 3.960 0.004 0.000 0.244 186 G HA3 -0.288 3.674 3.960 0.004 0.000 0.244 186 G C 0.335 175.474 174.900 0.398 0.000 1.302 186 G CA 0.178 45.377 45.100 0.166 0.000 0.903 186 G HN 0.256 nan 8.290 nan 0.000 0.575 187 Q N -1.716 118.228 119.800 0.239 0.000 2.288 187 Q HA 0.085 4.427 4.340 0.004 0.000 0.213 187 Q C 2.165 178.252 176.000 0.145 0.000 0.724 187 Q CA 0.768 56.799 55.803 0.381 0.000 0.902 187 Q CB 0.327 29.191 28.738 0.210 0.000 1.286 187 Q HN 0.764 nan 8.270 nan 0.000 0.458 188 E N 1.500 121.602 120.200 -0.165 0.000 2.347 188 E HA -0.113 4.240 4.350 0.004 0.000 0.196 188 E C 1.557 177.956 176.600 -0.335 0.000 1.008 188 E CA 0.795 56.914 56.400 -0.469 0.000 0.852 188 E CB 0.364 29.550 29.700 -0.857 0.000 0.783 188 E HN 0.270 nan 8.360 nan 0.000 0.505 189 Q N -0.885 118.664 119.800 -0.418 0.000 2.282 189 Q HA -0.057 4.286 4.340 0.004 0.000 0.206 189 Q C 0.570 176.254 176.000 -0.526 0.000 0.878 189 Q CA 0.239 55.697 55.803 -0.575 0.000 0.944 189 Q CB -0.065 28.164 28.738 -0.848 0.000 1.100 189 Q HN 0.423 nan 8.270 nan 0.000 0.509 190 W N 0.834 122.205 121.300 0.119 0.000 2.702 190 W HA 0.601 5.263 4.660 0.004 0.000 0.369 190 W C 0.175 176.823 176.519 0.215 0.000 0.987 190 W CA -0.518 56.916 57.345 0.147 0.000 1.702 190 W CB 0.976 30.508 29.460 0.119 0.000 1.138 190 W HN 0.071 nan 8.180 nan 0.000 0.552 191 A N 2.298 125.328 122.820 0.350 0.000 2.276 191 A HA 0.375 4.698 4.320 0.004 0.000 0.300 191 A C -1.310 176.372 177.584 0.165 0.000 1.235 191 A CA -1.330 50.878 52.037 0.285 0.000 0.867 191 A CB 0.708 19.937 19.000 0.383 0.000 1.137 191 A HN -0.117 nan 8.150 nan 0.000 0.527 192 P HA -0.251 nan 4.420 nan 0.000 0.216 192 P C 1.110 178.410 177.300 0.001 0.000 1.157 192 P CA 1.699 64.796 63.100 -0.006 0.000 0.880 192 P CB 0.102 31.759 31.700 -0.073 0.000 0.791 193 E N -0.843 119.359 120.200 0.003 0.000 2.401 193 E HA -0.139 4.214 4.350 0.004 0.000 0.199 193 E C 1.072 177.568 176.600 -0.174 0.000 1.023 193 E CA 0.854 57.248 56.400 -0.009 0.000 0.859 193 E CB -1.022 28.682 29.700 0.007 0.000 0.780 193 E HN 0.336 nan 8.360 nan 0.000 0.523 194 F N 0.640 120.536 119.950 -0.091 0.000 2.639 194 F HA 0.164 4.694 4.527 0.004 0.000 0.300 194 F C 0.174 175.859 175.800 -0.190 0.000 1.109 194 F CA -0.392 57.428 58.000 -0.300 0.000 1.335 194 F CB 0.408 39.241 39.000 -0.279 0.000 1.014 194 F HN -0.207 nan 8.300 nan 0.000 0.537 195 Q N -0.429 119.402 119.800 0.051 0.000 2.494 195 Q HA -0.215 4.127 4.340 0.004 0.000 0.266 195 Q C 0.452 176.497 176.000 0.075 0.000 1.053 195 Q CA 0.642 56.484 55.803 0.065 0.000 1.029 195 Q CB -2.011 26.779 28.738 0.088 0.000 1.423 195 Q HN 0.400 nan 8.270 nan 0.000 0.516 196 A N 0.604 123.473 122.820 0.081 0.000 2.603 196 A HA 0.263 4.585 4.320 0.004 0.000 0.235 196 A C 0.411 178.054 177.584 0.098 0.000 1.035 196 A CA 0.884 52.961 52.037 0.068 0.000 0.755 196 A CB 0.254 19.301 19.000 0.079 0.000 0.954 196 A HN 0.329 nan 8.150 nan 0.000 0.511 197 R N 0.681 121.248 120.500 0.113 0.000 2.774 197 R HA 0.801 5.143 4.340 0.004 0.000 0.272 197 R C -0.937 175.486 176.300 0.206 0.000 1.000 197 R CA -0.208 56.002 56.100 0.184 0.000 0.906 197 R CB 2.488 32.861 30.300 0.122 0.000 1.227 197 R HN 1.324 nan 8.270 nan 0.000 0.468 198 A N 0.685 123.676 122.820 0.285 0.000 2.583 198 A HA 0.665 4.988 4.320 0.004 0.000 0.298 198 A C -1.615 176.005 177.584 0.061 0.000 1.055 198 A CA -0.600 51.563 52.037 0.210 0.000 0.714 198 A CB 1.543 20.785 19.000 0.403 0.000 1.277 198 A HN 0.775 nan 8.150 nan 0.000 0.406 199 A N 2.061 124.868 122.820 -0.022 0.000 2.366 199 A HA 0.620 4.942 4.320 0.004 0.000 0.272 199 A C 0.204 177.662 177.584 -0.210 0.000 1.135 199 A CA -0.282 51.685 52.037 -0.116 0.000 0.804 199 A CB -0.079 18.862 19.000 -0.098 0.000 1.064 199 A HN 0.931 nan 8.150 nan 0.000 0.499 200 L N 1.860 122.880 121.223 -0.338 0.000 2.461 200 L HA 0.064 4.406 4.340 0.004 0.000 0.272 200 L C 0.705 177.422 176.870 -0.254 0.000 1.197 200 L CA -0.123 54.452 54.840 -0.442 0.000 0.836 200 L CB 0.302 42.044 42.059 -0.529 0.000 1.105 200 L HN 0.858 nan 8.230 nan 0.000 0.477 201 H N 2.082 121.004 119.070 -0.247 0.000 2.803 201 H HA 0.161 4.719 4.556 0.004 0.000 0.330 201 H C -0.441 174.794 175.328 -0.155 0.000 1.057 201 H CA 0.328 56.273 56.048 -0.172 0.000 1.458 201 H CB 0.643 30.346 29.762 -0.097 0.000 1.470 201 H HN 0.490 nan 8.280 nan 0.000 0.560 202 Q N 2.776 122.361 119.800 -0.359 0.000 2.378 202 Q HA 0.490 4.832 4.340 0.004 0.000 0.276 202 Q C -1.304 174.528 176.000 -0.280 0.000 1.083 202 Q CA -0.892 54.813 55.803 -0.162 0.000 0.856 202 Q CB 2.197 30.834 28.738 -0.170 0.000 1.383 202 Q HN 0.526 nan 8.270 nan 0.000 0.458 203 F N -0.017 119.922 119.950 -0.019 0.000 2.619 203 F HA 0.222 4.751 4.527 0.004 0.000 0.308 203 F C -0.676 175.076 175.800 -0.079 0.000 1.097 203 F CA -0.767 57.221 58.000 -0.020 0.000 0.953 203 F CB 2.083 41.078 39.000 -0.008 0.000 1.287 203 F HN 0.426 nan 8.300 nan 0.000 0.446 204 E N 2.961 123.228 120.200 0.111 0.000 2.081 204 E HA 0.602 4.955 4.350 0.004 0.000 0.281 204 E C -1.548 175.066 176.600 0.022 0.000 0.986 204 E CA -0.595 55.837 56.400 0.053 0.000 0.796 204 E CB 1.078 30.796 29.700 0.029 0.000 1.085 204 E HN 0.487 nan 8.360 nan 0.000 0.398 205 V N 1.974 121.834 119.914 -0.090 0.000 2.914 205 V HA 0.746 4.868 4.120 0.004 0.000 0.314 205 V C -2.611 173.330 176.094 -0.255 0.000 1.084 205 V CA -2.750 59.322 62.300 -0.380 0.000 0.963 205 V CB 1.599 32.778 31.823 -1.072 0.000 1.025 205 V HN 0.622 nan 8.190 nan 0.000 0.432 206 P HA 0.184 nan 4.420 nan 0.000 0.280 206 P C 1.031 178.319 177.300 -0.019 0.000 1.244 206 P CA 0.078 62.883 63.100 -0.491 0.000 0.784 206 P CB 1.797 33.264 31.700 -0.389 0.000 0.913 207 V N 0.553 120.433 119.914 -0.057 0.000 2.944 207 V HA -0.212 3.911 4.120 0.004 0.000 0.265 207 V C 1.395 177.513 176.094 0.039 0.000 1.125 207 V CA 2.128 64.451 62.300 0.038 0.000 1.145 207 V CB -1.497 30.337 31.823 0.018 0.000 0.725 207 V HN 0.517 nan 8.190 nan 0.000 0.510 208 D N 1.081 121.495 120.400 0.025 0.000 2.347 208 D HA 0.026 4.668 4.640 0.004 0.000 0.215 208 D C 1.884 178.129 176.300 -0.091 0.000 0.976 208 D CA 1.204 55.188 54.000 -0.028 0.000 0.884 208 D CB -0.103 40.674 40.800 -0.038 0.000 0.915 208 D HN 0.583 nan 8.370 nan 0.000 0.526 209 G N 0.290 109.064 108.800 -0.043 0.000 3.020 209 G HA2 0.209 4.172 3.960 0.004 0.000 0.217 209 G HA3 0.209 4.172 3.960 0.004 0.000 0.217 209 G C 0.769 175.484 174.900 -0.308 0.000 1.144 209 G CA -0.412 44.391 45.100 -0.494 0.000 0.760 209 G HN 0.147 nan 8.290 nan 0.000 0.548 210 L N 1.310 122.566 121.223 0.054 0.000 2.485 210 L HA 0.226 4.569 4.340 0.004 0.000 0.275 210 L C -0.289 176.548 176.870 -0.056 0.000 1.207 210 L CA -0.062 54.864 54.840 0.142 0.000 0.855 210 L CB 0.447 42.578 42.059 0.119 0.000 1.114 210 L HN 0.156 nan 8.230 nan 0.000 0.485 211 H N 3.429 122.490 119.070 -0.015 0.000 2.860 211 H HA 0.519 5.078 4.556 0.004 0.000 0.312 211 H C -0.720 174.610 175.328 0.002 0.000 0.995 211 H CA -0.252 55.788 56.048 -0.014 0.000 1.311 211 H CB 1.101 30.850 29.762 -0.022 0.000 1.478 211 H HN 0.364 nan 8.280 nan 0.000 0.508 212 I N 2.266 122.885 120.570 0.082 0.000 2.378 212 I HA 0.463 4.636 4.170 0.004 0.000 0.291 212 I C 0.426 176.590 176.117 0.079 0.000 0.992 212 I CA -0.514 60.828 61.300 0.071 0.000 1.154 212 I CB 1.932 39.964 38.000 0.054 0.000 1.315 212 I HN 0.694 nan 8.210 nan 0.000 0.448 213 G N 4.990 113.844 108.800 0.090 0.000 2.502 213 G HA2 0.760 4.723 3.960 0.004 0.000 0.311 213 G HA3 0.760 4.723 3.960 0.004 0.000 0.311 213 G C -1.036 173.920 174.900 0.095 0.000 1.270 213 G CA -0.342 44.813 45.100 0.092 0.000 0.948 213 G HN 0.730 nan 8.290 nan 0.000 0.487 214 A N 2.880 125.751 122.820 0.085 0.000 2.454 214 A HA 0.853 5.176 4.320 0.004 0.000 0.302 214 A C -0.827 176.808 177.584 0.084 0.000 1.079 214 A CA -0.931 51.155 52.037 0.082 0.000 0.731 214 A CB 1.827 20.869 19.000 0.070 0.000 1.299 214 A HN 0.500 nan 8.150 nan 0.000 0.413 215 N N 0.111 118.865 118.700 0.090 0.000 2.504 215 N HA 0.491 5.234 4.740 0.004 0.000 0.280 215 N C 0.446 176.009 175.510 0.088 0.000 1.052 215 N CA 0.704 53.809 53.050 0.091 0.000 0.887 215 N CB 1.651 40.204 38.487 0.109 0.000 1.323 215 N HN 1.608 nan 8.380 nan 0.000 0.509 216 G N 1.385 110.230 108.800 0.074 0.000 2.155 216 G HA2 -0.234 3.728 3.960 0.004 0.000 0.257 216 G HA3 -0.234 3.728 3.960 0.004 0.000 0.257 216 G C -0.355 174.586 174.900 0.069 0.000 0.983 216 G CA 0.177 45.317 45.100 0.068 0.000 0.676 216 G HN 0.447 nan 8.290 nan 0.000 0.528 217 L N 0.991 122.255 121.223 0.069 0.000 2.431 217 L HA 0.479 4.821 4.340 0.004 0.000 0.266 217 L C 0.846 177.748 176.870 0.054 0.000 0.978 217 L CA -0.508 54.371 54.840 0.065 0.000 0.822 217 L CB 2.198 44.297 42.059 0.067 0.000 1.310 217 L HN 0.297 nan 8.230 nan 0.000 0.409 218 T N -0.507 114.076 114.554 0.048 0.000 2.918 218 T HA 0.170 4.522 4.350 0.004 0.000 0.302 218 T C -1.966 172.762 174.700 0.046 0.000 1.045 218 T CA -1.432 60.694 62.100 0.044 0.000 1.114 218 T CB 0.975 69.866 68.868 0.038 0.000 0.965 218 T HN 0.347 nan 8.240 nan 0.000 0.540 219 P HA -0.194 nan 4.420 nan 0.000 0.216 219 P C 1.740 179.073 177.300 0.055 0.000 1.154 219 P CA 1.064 64.194 63.100 0.050 0.000 0.865 219 P CB 0.089 31.812 31.700 0.039 0.000 0.789 220 Q N -0.102 119.726 119.800 0.047 0.000 2.124 220 Q HA -0.208 4.134 4.340 0.004 0.000 0.202 220 Q C 2.226 178.258 176.000 0.053 0.000 0.977 220 Q CA 1.770 57.602 55.803 0.049 0.000 0.850 220 Q CB -0.816 27.947 28.738 0.040 0.000 0.901 220 Q HN 0.268 nan 8.270 nan 0.000 0.429 221 Q N -1.127 118.701 119.800 0.047 0.000 2.224 221 Q HA -0.075 4.268 4.340 0.004 0.000 0.203 221 Q C 1.972 177.980 176.000 0.014 0.000 0.970 221 Q CA 1.300 57.127 55.803 0.040 0.000 0.865 221 Q CB 0.202 28.967 28.738 0.044 0.000 0.922 221 Q HN 0.295 nan 8.270 nan 0.000 0.445 222 V N 0.826 120.759 119.914 0.031 0.000 2.261 222 V HA -0.294 3.829 4.120 0.004 0.000 0.246 222 V C 2.173 178.387 176.094 0.201 0.000 1.047 222 V CA 1.617 63.949 62.300 0.054 0.000 1.015 222 V CB -0.701 31.209 31.823 0.145 0.000 0.642 222 V HN 0.343 nan 8.190 nan 0.000 0.446 223 L N -0.014 121.325 121.223 0.193 0.000 1.990 223 L HA -0.261 4.082 4.340 0.004 0.000 0.213 223 L C 2.537 179.515 176.870 0.180 0.000 1.072 223 L CA 1.989 56.955 54.840 0.210 0.000 0.755 223 L CB -0.982 41.143 42.059 0.110 0.000 0.889 223 L HN 0.334 nan 8.230 nan 0.000 0.432 224 D N 0.127 120.589 120.400 0.103 0.000 2.154 224 D HA -0.215 4.427 4.640 0.004 0.000 0.190 224 D C 2.050 178.409 176.300 0.098 0.000 1.003 224 D CA 1.807 55.859 54.000 0.085 0.000 0.849 224 D CB -0.550 40.289 40.800 0.066 0.000 0.942 224 D HN 0.451 nan 8.370 nan 0.000 0.446 225 G N -0.376 108.434 108.800 0.017 0.000 2.469 225 G HA2 -0.272 3.691 3.960 0.004 0.000 0.219 225 G HA3 -0.272 3.691 3.960 0.004 0.000 0.219 225 G C 1.511 176.335 174.900 -0.126 0.000 1.150 225 G CA 0.595 45.660 45.100 -0.059 0.000 0.763 225 G HN 0.234 nan 8.290 nan 0.000 0.561 226 F N 1.061 120.997 119.950 -0.023 0.000 2.219 226 F HA 0.496 5.026 4.527 0.004 0.000 0.294 226 F C 1.444 177.194 175.800 -0.083 0.000 1.086 226 F CA 0.863 58.827 58.000 -0.061 0.000 1.330 226 F CB 0.184 39.151 39.000 -0.054 0.000 1.047 226 F HN 0.282 nan 8.300 nan 0.000 0.495 227 A N -0.671 122.238 122.820 0.150 0.000 2.547 227 A HA 0.289 4.612 4.320 0.004 0.000 0.297 227 A C -1.313 176.299 177.584 0.046 0.000 1.056 227 A CA -0.766 51.303 52.037 0.054 0.000 0.688 227 A CB 0.607 19.634 19.000 0.045 0.000 1.282 227 A HN -0.012 nan 8.150 nan 0.000 0.400 228 D N 1.975 122.384 120.400 0.014 0.000 2.402 228 D HA -0.022 4.620 4.640 0.004 0.000 0.268 228 D C 0.568 176.877 176.300 0.015 0.000 1.294 228 D CA 0.262 54.272 54.000 0.017 0.000 0.945 228 D CB 0.815 41.613 40.800 -0.002 0.000 1.112 228 D HN 0.408 nan 8.370 nan 0.000 0.517 229 Q N 2.832 122.650 119.800 0.029 0.000 2.437 229 Q HA -0.176 4.167 4.340 0.004 0.000 0.210 229 Q C 1.657 177.668 176.000 0.018 0.000 0.972 229 Q CA 0.572 56.392 55.803 0.030 0.000 0.903 229 Q CB -0.066 28.696 28.738 0.041 0.000 0.967 229 Q HN 0.743 nan 8.270 nan 0.000 0.486 230 Q N 0.976 120.782 119.800 0.010 0.000 2.014 230 Q HA -0.143 4.199 4.340 0.004 0.000 0.207 230 Q C -0.912 175.085 176.000 -0.004 0.000 0.993 230 Q CA 1.733 57.538 55.803 0.003 0.000 0.850 230 Q CB -0.768 27.968 28.738 -0.002 0.000 0.916 230 Q HN 0.193 nan 8.270 nan 0.000 0.417 231 P HA -0.043 nan 4.420 nan 0.000 0.231 231 P C -0.978 176.306 177.300 -0.026 0.000 1.154 231 P CA 1.060 64.144 63.100 -0.026 0.000 0.762 231 P CB -0.251 31.426 31.700 -0.038 0.000 0.790 232 A N 0.065 122.880 122.820 -0.008 0.000 2.328 232 A HA 0.462 4.784 4.320 0.004 0.000 0.284 232 A C 0.729 178.308 177.584 -0.009 0.000 1.160 232 A CA -0.312 51.725 52.037 0.000 0.000 0.818 232 A CB 0.154 19.182 19.000 0.047 0.000 1.087 232 A HN 0.188 nan 8.150 nan 0.000 0.504 233 S N 2.732 118.396 115.700 -0.059 0.000 2.589 233 S HA 0.467 4.939 4.470 0.004 0.000 0.265 233 S C -2.577 172.030 174.600 0.011 0.000 1.342 233 S CA -0.941 57.218 58.200 -0.069 0.000 1.005 233 S CB -0.101 62.995 63.200 -0.174 0.000 0.909 233 S HN 0.517 nan 8.310 nan 0.000 0.555 234 P HA 0.385 nan 4.420 nan 0.000 0.274 234 P C 1.037 178.451 177.300 0.190 0.000 1.237 234 P CA 0.519 63.672 63.100 0.088 0.000 0.793 234 P CB 0.188 31.920 31.700 0.053 0.000 0.977 235 G N -0.575 108.316 108.800 0.152 0.000 2.184 235 G HA2 -0.218 3.744 3.960 0.004 0.000 0.264 235 G HA3 -0.218 3.744 3.960 0.004 0.000 0.264 235 G C 0.071 175.026 174.900 0.091 0.000 0.975 235 G CA 0.344 45.523 45.100 0.132 0.000 0.642 235 G HN 0.672 nan 8.290 nan 0.000 0.536 236 H N -0.314 118.769 119.070 0.021 0.000 2.812 236 H HA 0.892 5.450 4.556 0.004 0.000 0.355 236 H C 0.370 175.702 175.328 0.007 0.000 1.207 236 H CA 0.258 56.313 56.048 0.012 0.000 1.217 236 H CB 1.929 31.688 29.762 -0.005 0.000 1.874 236 H HN 0.858 nan 8.280 nan 0.000 0.581 237 A N 0.353 123.242 122.820 0.115 0.000 2.609 237 A HA 0.598 4.921 4.320 0.004 0.000 0.291 237 A C -1.523 176.076 177.584 0.025 0.000 1.096 237 A CA -0.619 51.452 52.037 0.056 0.000 0.684 237 A CB 1.113 20.138 19.000 0.042 0.000 1.282 237 A HN 0.547 nan 8.150 nan 0.000 0.412 238 I N 2.528 123.111 120.570 0.021 0.000 2.359 238 I HA 0.323 4.495 4.170 0.004 0.000 0.284 238 I C -0.042 176.077 176.117 0.004 0.000 1.018 238 I CA -0.344 60.962 61.300 0.011 0.000 1.173 238 I CB 0.870 38.874 38.000 0.006 0.000 1.326 238 I HN 0.659 nan 8.210 nan 0.000 0.462 239 I N 4.684 125.247 120.570 -0.011 0.000 2.713 239 I HA 0.670 4.842 4.170 0.004 0.000 0.300 239 I C 0.013 176.141 176.117 0.018 0.000 1.009 239 I CA -0.318 60.955 61.300 -0.045 0.000 1.305 239 I CB 1.609 39.550 38.000 -0.098 0.000 1.430 239 I HN 0.653 nan 8.210 nan 0.000 0.546 240 C N 4.362 123.654 119.300 -0.013 0.000 2.971 240 C HA 0.870 5.333 4.460 0.004 0.000 0.310 240 C C -0.432 174.556 174.990 -0.003 0.000 1.285 240 C CA -0.803 58.226 59.018 0.019 0.000 1.593 240 C CB 1.559 29.279 27.740 -0.032 0.000 2.076 240 C HN 1.027 nan 8.230 nan 0.000 0.472 241 M N 0.863 120.475 119.600 0.020 0.000 2.664 241 M HA 0.373 4.855 4.480 0.004 0.000 0.279 241 M C -0.629 175.652 176.300 -0.031 0.000 1.275 241 M CA -0.411 54.895 55.300 0.009 0.000 0.829 241 M CB 1.716 34.352 32.600 0.061 0.000 1.727 241 M HN 0.961 nan 8.290 nan 0.000 0.459 242 H N 2.072 121.120 119.070 -0.036 0.000 3.034 242 H HA 0.061 4.620 4.556 0.004 0.000 0.324 242 H C -2.060 173.205 175.328 -0.105 0.000 1.015 242 H CA -0.306 55.746 56.048 0.006 0.000 1.429 242 H CB 0.945 30.750 29.762 0.072 0.000 1.429 242 H HN 0.225 nan 8.280 nan 0.000 0.585 243 P HA -0.157 nan 4.420 nan 0.000 0.218 243 P C 1.694 178.907 177.300 -0.145 0.000 1.148 243 P CA 0.572 63.639 63.100 -0.055 0.000 0.822 243 P CB 0.409 32.108 31.700 -0.000 0.000 0.784 244 V N -0.274 119.536 119.914 -0.173 0.000 2.307 244 V HA -0.261 3.861 4.120 0.004 0.000 0.245 244 V C 2.680 178.639 176.094 -0.225 0.000 1.045 244 V CA 1.982 64.008 62.300 -0.456 0.000 1.024 244 V CB -1.174 29.993 31.823 -1.093 0.000 0.651 244 V HN 0.096 nan 8.190 nan 0.000 0.449 245 Q N 0.451 120.169 119.800 -0.137 0.000 2.152 245 Q HA -0.203 4.140 4.340 0.004 0.000 0.206 245 Q C 2.055 178.068 176.000 0.022 0.000 0.985 245 Q CA 2.277 58.046 55.803 -0.057 0.000 0.863 245 Q CB -0.546 28.176 28.738 -0.027 0.000 0.904 245 Q HN 0.623 nan 8.270 nan 0.000 0.422 246 A N -0.074 122.742 122.820 -0.007 0.000 1.877 246 A HA -0.243 4.079 4.320 0.004 0.000 0.216 246 A C 2.004 179.607 177.584 0.032 0.000 1.186 246 A CA 1.649 53.682 52.037 -0.006 0.000 0.620 246 A CB -0.618 18.068 19.000 -0.523 0.000 0.822 246 A HN 0.436 nan 8.150 nan 0.000 0.443 247 Q N -0.111 119.667 119.800 -0.036 0.000 2.050 247 Q HA -0.110 4.233 4.340 0.004 0.000 0.202 247 Q C 2.202 178.244 176.000 0.071 0.000 0.980 247 Q CA 1.333 57.151 55.803 0.024 0.000 0.840 247 Q CB -0.811 27.941 28.738 0.022 0.000 0.898 247 Q HN 0.688 nan 8.270 nan 0.000 0.424 248 L N -0.158 121.108 121.223 0.071 0.000 1.944 248 L HA -0.213 4.129 4.340 0.004 0.000 0.218 248 L C 2.360 179.320 176.870 0.151 0.000 1.075 248 L CA 1.816 56.718 54.840 0.103 0.000 0.767 248 L CB -0.685 41.425 42.059 0.086 0.000 0.890 248 L HN 0.161 nan 8.230 nan 0.000 0.434 249 F N -0.226 119.727 119.950 0.006 0.000 2.236 249 F HA -0.264 4.265 4.527 0.004 0.000 0.302 249 F C 2.211 178.053 175.800 0.069 0.000 1.073 249 F CA 1.360 59.364 58.000 0.007 0.000 1.336 249 F CB -0.130 38.790 39.000 -0.134 0.000 1.040 249 F HN 0.039 nan 8.300 nan 0.000 0.507 250 M N -0.249 119.317 119.600 -0.056 0.000 2.618 250 M HA -0.053 4.430 4.480 0.004 0.000 0.240 250 M C 1.517 177.773 176.300 -0.072 0.000 1.123 250 M CA 0.656 55.883 55.300 -0.123 0.000 1.060 250 M CB -0.065 32.570 32.600 0.059 0.000 1.535 250 M HN 0.279 nan 8.290 nan 0.000 0.507 251 Q N -0.173 119.608 119.800 -0.032 0.000 2.398 251 Q HA -0.013 4.329 4.340 0.004 0.000 0.204 251 Q C -0.008 175.961 176.000 -0.053 0.000 0.932 251 Q CA 0.328 56.124 55.803 -0.012 0.000 0.916 251 Q CB 0.256 29.012 28.738 0.028 0.000 1.024 251 Q HN 0.358 nan 8.270 nan 0.000 0.504 252 D N -0.440 119.906 120.400 -0.090 0.000 2.348 252 D HA 0.154 4.797 4.640 0.004 0.000 0.253 252 D C 0.785 176.980 176.300 -0.175 0.000 1.161 252 D CA 0.159 54.053 54.000 -0.177 0.000 0.876 252 D CB 1.064 41.683 40.800 -0.302 0.000 1.160 252 D HN 0.170 nan 8.370 nan 0.000 0.459 253 A N 4.481 127.205 122.820 -0.160 0.000 1.954 253 A HA -0.333 3.990 4.320 0.004 0.000 0.222 253 A C 2.112 179.638 177.584 -0.096 0.000 1.199 253 A CA 1.756 53.725 52.037 -0.113 0.000 0.657 253 A CB -0.411 18.520 19.000 -0.115 0.000 0.823 253 A HN 0.750 nan 8.150 nan 0.000 0.463 254 R N -1.158 119.249 120.500 -0.156 0.000 2.080 254 R HA -0.103 4.239 4.340 0.004 0.000 0.236 254 R C 2.105 178.457 176.300 0.086 0.000 1.137 254 R CA 1.763 57.843 56.100 -0.034 0.000 0.943 254 R CB -0.466 29.768 30.300 -0.110 0.000 0.846 254 R HN 0.422 nan 8.270 nan 0.000 0.431 255 V N 0.871 120.769 119.914 -0.026 0.000 2.379 255 V HA -0.221 3.901 4.120 0.004 0.000 0.245 255 V C 2.347 178.435 176.094 -0.009 0.000 1.044 255 V CA 1.441 63.717 62.300 -0.040 0.000 1.036 255 V CB -0.493 31.049 31.823 -0.470 0.000 0.664 255 V HN 0.343 nan 8.190 nan 0.000 0.453 256 Q N 0.041 119.819 119.800 -0.036 0.000 2.062 256 Q HA -0.344 3.998 4.340 0.004 0.000 0.209 256 Q C 2.316 178.334 176.000 0.031 0.000 0.996 256 Q CA 2.547 58.349 55.803 -0.003 0.000 0.859 256 Q CB -0.427 28.300 28.738 -0.018 0.000 0.920 256 Q HN 0.702 nan 8.270 nan 0.000 0.415 257 Q N 0.598 120.422 119.800 0.040 0.000 2.050 257 Q HA -0.101 4.241 4.340 0.004 0.000 0.202 257 Q C 2.143 178.190 176.000 0.078 0.000 0.980 257 Q CA 1.289 57.125 55.803 0.054 0.000 0.840 257 Q CB -0.355 28.418 28.738 0.059 0.000 0.898 257 Q HN 0.400 nan 8.270 nan 0.000 0.424 258 L N -0.458 120.834 121.223 0.115 0.000 2.046 258 L HA -0.197 4.146 4.340 0.004 0.000 0.208 258 L C 2.339 179.275 176.870 0.110 0.000 1.077 258 L CA 1.029 55.953 54.840 0.139 0.000 0.747 258 L CB -0.440 41.747 42.059 0.213 0.000 0.896 258 L HN 0.282 nan 8.230 nan 0.000 0.432 259 L N -0.632 120.650 121.223 0.098 0.000 2.027 259 L HA -0.182 4.160 4.340 0.004 0.000 0.206 259 L C 2.760 179.673 176.870 0.072 0.000 1.074 259 L CA 1.160 56.057 54.840 0.096 0.000 0.745 259 L CB -0.528 41.593 42.059 0.102 0.000 0.898 259 L HN 0.238 nan 8.230 nan 0.000 0.433 260 R N 0.120 120.655 120.500 0.058 0.000 2.241 260 R HA -0.152 4.191 4.340 0.004 0.000 0.224 260 R C 0.355 176.682 176.300 0.045 0.000 1.101 260 R CA 1.452 57.578 56.100 0.045 0.000 0.995 260 R CB -0.036 30.285 30.300 0.035 0.000 0.870 260 R HN 0.337 nan 8.270 nan 0.000 0.463 261 D N 0.091 120.525 120.400 0.057 0.000 2.440 261 D HA 0.083 4.726 4.640 0.004 0.000 0.216 261 D C -0.396 175.943 176.300 0.064 0.000 1.150 261 D CA -0.089 53.944 54.000 0.056 0.000 0.832 261 D CB 0.251 41.087 40.800 0.060 0.000 0.992 261 D HN 0.122 nan 8.370 nan 0.000 0.502 262 N N 0.266 119.005 118.700 0.065 0.000 2.696 262 N HA -0.160 4.582 4.740 0.004 0.000 0.249 262 N C 1.008 176.573 175.510 0.091 0.000 1.090 262 N CA 0.325 53.415 53.050 0.068 0.000 0.716 262 N CB -1.228 37.288 38.487 0.048 0.000 1.020 262 N HN 0.175 nan 8.380 nan 0.000 0.548 263 V N -0.514 119.461 119.914 0.102 0.000 2.667 263 V HA -0.018 4.104 4.120 0.004 0.000 0.252 263 V C 1.293 177.449 176.094 0.103 0.000 1.065 263 V CA 1.728 64.103 62.300 0.125 0.000 1.083 263 V CB -0.404 31.504 31.823 0.143 0.000 0.692 263 V HN 0.524 nan 8.190 nan 0.000 0.468 264 I N -3.080 117.537 120.570 0.077 0.000 2.802 264 I HA 0.593 4.765 4.170 0.004 0.000 0.298 264 I C -0.601 175.590 176.117 0.124 0.000 1.176 264 I CA -0.990 60.336 61.300 0.043 0.000 1.025 264 I CB 2.174 40.115 38.000 -0.098 0.000 1.243 264 I HN -0.255 nan 8.210 nan 0.000 0.424 265 R N 2.220 122.800 120.500 0.133 0.000 2.407 265 R HA 0.319 4.661 4.340 0.004 0.000 0.303 265 R C -1.145 175.245 176.300 0.149 0.000 0.981 265 R CA -0.774 55.390 56.100 0.106 0.000 0.905 265 R CB 1.458 31.774 30.300 0.027 0.000 1.099 265 R HN 0.706 nan 8.270 nan 0.000 0.459 266 D N 4.673 125.117 120.400 0.074 0.000 2.411 266 D HA 0.139 4.781 4.640 0.004 0.000 0.225 266 D C 0.037 176.190 176.300 -0.244 0.000 1.156 266 D CA -0.255 53.640 54.000 -0.176 0.000 0.874 266 D CB 0.354 41.150 40.800 -0.006 0.000 1.034 266 D HN 0.311 nan 8.370 nan 0.000 0.502 267 L N 2.115 123.123 121.223 -0.358 0.000 2.505 267 L HA 0.478 4.820 4.340 0.004 0.000 0.226 267 L C 1.885 178.488 176.870 -0.446 0.000 1.211 267 L CA -0.817 53.837 54.840 -0.309 0.000 0.828 267 L CB -0.044 41.858 42.059 -0.262 0.000 1.331 267 L HN 0.365 nan 8.230 nan 0.000 0.513 268 G N -1.003 107.570 108.800 -0.379 0.000 2.481 268 G HA2 0.085 4.048 3.960 0.004 0.000 0.251 268 G HA3 0.085 4.048 3.960 0.004 0.000 0.251 268 G C -0.318 174.134 174.900 -0.748 0.000 1.492 268 G CA -0.458 44.397 45.100 -0.409 0.000 1.060 268 G HN 0.605 nan 8.290 nan 0.000 0.553 269 Q N 0.069 119.597 119.800 -0.453 0.000 2.472 269 Q HA 0.281 4.624 4.340 0.004 0.000 0.227 269 Q C 0.364 176.211 176.000 -0.254 0.000 1.156 269 Q CA -0.131 55.463 55.803 -0.348 0.000 0.924 269 Q CB 0.705 29.382 28.738 -0.102 0.000 1.354 269 Q HN 0.505 nan 8.270 nan 0.000 0.525 270 S N -0.556 114.974 115.700 -0.284 0.000 2.687 270 S HA 0.180 4.652 4.470 0.004 0.000 0.247 270 S C 0.956 175.458 174.600 -0.165 0.000 1.050 270 S CA -0.171 57.908 58.200 -0.201 0.000 1.063 270 S CB 0.638 63.713 63.200 -0.209 0.000 1.039 270 S HN 0.522 nan 8.310 nan 0.000 0.580 271 G N 1.739 110.428 108.800 -0.186 0.000 2.583 271 G HA2 0.388 4.350 3.960 0.004 0.000 0.275 271 G HA3 0.388 4.350 3.960 0.004 0.000 0.275 271 G C -0.113 174.695 174.900 -0.152 0.000 1.342 271 G CA -0.806 44.197 45.100 -0.163 0.000 1.030 271 G HN 0.413 nan 8.290 nan 0.000 0.520 272 R N -1.835 118.569 120.500 -0.160 0.000 2.698 272 R HA 0.202 4.544 4.340 0.004 0.000 0.266 272 R C -0.165 176.050 176.300 -0.141 0.000 1.026 272 R CA -0.222 55.788 56.100 -0.149 0.000 1.102 272 R CB 0.366 30.547 30.300 -0.197 0.000 0.978 272 R HN 0.169 nan 8.270 nan 0.000 0.436 273 V N 3.723 123.585 119.914 -0.086 0.000 2.389 273 V HA 0.408 4.530 4.120 0.004 0.000 0.264 273 V C 0.387 176.489 176.094 0.014 0.000 1.049 273 V CA -0.246 62.034 62.300 -0.033 0.000 0.932 273 V CB 0.543 32.363 31.823 -0.005 0.000 1.011 273 V HN 0.866 nan 8.190 nan 0.000 0.475 274 A N 4.130 127.013 122.820 0.105 0.000 2.387 274 A HA 0.895 5.218 4.320 0.004 0.000 0.303 274 A C -0.072 177.802 177.584 0.483 0.000 1.145 274 A CA -0.658 51.542 52.037 0.271 0.000 0.801 274 A CB 1.668 20.873 19.000 0.341 0.000 1.342 274 A HN 0.661 nan 8.150 nan 0.000 0.440 275 S N 2.257 118.213 115.700 0.427 0.000 2.451 275 S HA 0.612 5.085 4.470 0.004 0.000 0.301 275 S C -2.725 171.962 174.600 0.146 0.000 1.116 275 S CA -1.138 57.242 58.200 0.300 0.000 1.093 275 S CB 1.142 64.493 63.200 0.252 0.000 1.017 275 S HN 0.583 nan 8.310 nan 0.000 0.482 276 P HA 0.145 nan 4.420 nan 0.000 0.271 276 P C 0.217 177.386 177.300 -0.218 0.000 1.218 276 P CA -0.226 62.500 63.100 -0.624 0.000 0.780 276 P CB 0.330 31.553 31.700 -0.794 0.000 0.901 277 T N -1.402 113.047 114.554 -0.176 0.000 2.849 277 T HA 0.443 4.795 4.350 0.004 0.000 0.276 277 T C 1.564 176.191 174.700 -0.121 0.000 0.971 277 T CA -0.093 61.942 62.100 -0.108 0.000 0.949 277 T CB 0.245 69.070 68.868 -0.073 0.000 1.093 277 T HN 0.314 nan 8.240 nan 0.000 0.545 278 A N 0.722 123.468 122.820 -0.122 0.000 2.024 278 A HA -0.031 4.292 4.320 0.004 0.000 0.220 278 A C 2.379 179.925 177.584 -0.063 0.000 1.164 278 A CA 1.871 53.846 52.037 -0.104 0.000 0.643 278 A CB -1.423 17.507 19.000 -0.117 0.000 0.806 278 A HN 1.136 nan 8.150 nan 0.000 0.451 279 S N -1.316 114.349 115.700 -0.058 0.000 2.603 279 S HA 0.194 4.666 4.470 0.004 0.000 0.220 279 S C 1.110 175.697 174.600 -0.021 0.000 0.967 279 S CA 0.409 58.592 58.200 -0.028 0.000 0.920 279 S CB -0.315 62.867 63.200 -0.029 0.000 0.773 279 S HN 0.540 nan 8.310 nan 0.000 0.529 280 I N 0.215 120.758 120.570 -0.044 0.000 4.327 280 I HA -0.349 3.824 4.170 0.004 0.000 0.074 280 I C 1.281 177.368 176.117 -0.050 0.000 0.569 280 I CA 2.341 63.636 61.300 -0.008 0.000 1.123 280 I CB -1.818 36.234 38.000 0.087 0.000 1.000 280 I HN 0.613 nan 8.210 nan 0.000 0.171 281 R N 0.969 121.481 120.500 0.019 0.000 2.432 281 R HA 0.442 4.784 4.340 0.004 0.000 0.260 281 R C 0.238 176.642 176.300 0.174 0.000 0.935 281 R CA 0.280 56.478 56.100 0.163 0.000 1.080 281 R CB -0.567 29.846 30.300 0.187 0.000 1.155 281 R HN 0.325 nan 8.270 nan 0.000 0.531 282 T N 0.363 114.924 114.554 0.012 0.000 2.902 282 T HA 0.501 4.854 4.350 0.004 0.000 0.283 282 T C -1.077 173.637 174.700 0.023 0.000 1.009 282 T CA -0.271 61.898 62.100 0.115 0.000 1.051 282 T CB 0.963 69.825 68.868 -0.009 0.000 0.999 282 T HN 0.206 nan 8.240 nan 0.000 0.474 283 W N 1.838 123.288 121.300 0.251 0.000 2.819 283 W HA 0.631 5.294 4.660 0.004 0.000 0.337 283 W C -0.992 175.810 176.519 0.472 0.000 1.077 283 W CA -1.143 56.371 57.345 0.281 0.000 1.226 283 W CB 1.111 30.666 29.460 0.158 0.000 1.419 283 W HN 0.590 nan 8.180 nan 0.000 0.502 284 F N 4.363 124.587 119.950 0.456 0.000 2.427 284 F HA 0.652 5.181 4.527 0.004 0.000 0.348 284 F C -0.888 175.014 175.800 0.170 0.000 1.125 284 F CA -0.980 57.213 58.000 0.321 0.000 0.989 284 F CB 0.476 39.681 39.000 0.342 0.000 1.165 284 F HN 0.108 nan 8.300 nan 0.000 0.442 285 I N 5.943 126.206 120.570 -0.512 0.000 2.321 285 I HA 0.190 4.362 4.170 0.004 0.000 0.291 285 I C -0.543 174.966 176.117 -1.014 0.000 0.998 285 I CA -0.595 60.364 61.300 -0.568 0.000 1.227 285 I CB 0.908 38.731 38.000 -0.296 0.000 1.368 285 I HN 0.451 nan 8.210 nan 0.000 0.466 286 D N 6.264 126.147 120.400 -0.861 0.000 2.458 286 D HA -0.011 4.632 4.640 0.004 0.000 0.243 286 D C -0.078 176.049 176.300 -0.287 0.000 1.146 286 D CA 0.070 53.731 54.000 -0.566 0.000 0.877 286 D CB 0.406 41.165 40.800 -0.067 0.000 1.176 286 D HN 0.493 nan 8.370 nan 0.000 0.461 287 D N 1.024 121.287 120.400 -0.227 0.000 2.740 287 D HA -0.229 4.413 4.640 0.004 0.000 0.231 287 D C -0.153 176.048 176.300 -0.165 0.000 1.194 287 D CA 1.005 54.901 54.000 -0.173 0.000 0.673 287 D CB -1.239 39.500 40.800 -0.101 0.000 0.995 287 D HN 0.558 nan 8.370 nan 0.000 0.411 288 H N 0.657 119.530 119.070 -0.327 0.000 2.492 288 H HA 0.120 4.678 4.556 0.004 0.000 0.345 288 H C 0.679 175.812 175.328 -0.324 0.000 1.136 288 H CA -0.658 55.235 56.048 -0.257 0.000 1.202 288 H CB 1.274 30.902 29.762 -0.224 0.000 1.524 288 H HN -0.203 nan 8.280 nan 0.000 0.506 289 D N 3.149 123.079 120.400 -0.784 0.000 2.354 289 D HA -0.109 4.533 4.640 0.004 0.000 0.216 289 D C -0.327 175.391 176.300 -0.971 0.000 0.970 289 D CA 1.382 54.849 54.000 -0.889 0.000 0.905 289 D CB 0.101 40.246 40.800 -1.091 0.000 0.903 289 D HN 0.368 nan 8.370 nan 0.000 0.508 290 Y N -1.811 118.414 120.300 -0.125 0.000 2.581 290 Y HA 0.403 4.955 4.550 0.004 0.000 0.345 290 Y C -0.147 175.731 175.900 -0.038 0.000 1.036 290 Y CA -1.354 56.721 58.100 -0.041 0.000 1.042 290 Y CB 0.788 39.233 38.460 -0.025 0.000 1.289 290 Y HN -0.357 nan 8.280 nan 0.000 0.471 291 F N 1.380 121.468 119.950 0.231 0.000 2.370 291 F HA 0.484 5.014 4.527 0.004 0.000 0.324 291 F C 0.079 175.969 175.800 0.149 0.000 1.116 291 F CA -0.561 57.566 58.000 0.212 0.000 1.123 291 F CB 0.654 39.783 39.000 0.217 0.000 1.238 291 F HN 0.168 nan 8.300 nan 0.000 0.536 292 I N 2.594 123.403 120.570 0.399 0.000 2.330 292 I HA 0.209 4.382 4.170 0.004 0.000 0.289 292 I C -0.111 176.246 176.117 0.400 0.000 1.001 292 I CA -0.535 60.941 61.300 0.293 0.000 1.193 292 I CB 1.083 39.209 38.000 0.209 0.000 1.345 292 I HN 0.405 nan 8.210 nan 0.000 0.461 293 K N 6.192 126.785 120.400 0.321 0.000 2.290 293 K HA 0.401 4.724 4.320 0.004 0.000 0.250 293 K C 0.048 176.793 176.600 0.241 0.000 1.092 293 K CA -0.246 56.191 56.287 0.251 0.000 1.006 293 K CB 0.750 33.334 32.500 0.139 0.000 1.549 293 K HN 0.823 nan 8.250 nan 0.000 0.436 294 G N 1.070 110.038 108.800 0.280 0.000 2.522 294 G HA2 0.242 4.204 3.960 0.004 0.000 0.304 294 G HA3 0.242 4.204 3.960 0.004 0.000 0.304 294 G C -0.473 174.500 174.900 0.121 0.000 1.210 294 G CA -0.487 44.721 45.100 0.181 0.000 0.960 294 G HN 0.492 nan 8.290 nan 0.000 0.497 295 S N -1.448 114.272 115.700 0.033 0.000 2.707 295 S HA 0.655 5.127 4.470 0.004 0.000 0.276 295 S C -0.749 173.849 174.600 -0.003 0.000 1.179 295 S CA -0.367 57.828 58.200 -0.009 0.000 0.992 295 S CB 1.521 64.668 63.200 -0.088 0.000 1.030 295 S HN 0.697 nan 8.310 nan 0.000 0.554 296 L N 1.616 122.819 121.223 -0.033 0.000 2.849 296 L HA 0.320 4.663 4.340 0.004 0.000 0.256 296 L C -1.658 175.192 176.870 -0.033 0.000 0.951 296 L CA -0.111 54.691 54.840 -0.064 0.000 1.003 296 L CB 0.651 42.651 42.059 -0.098 0.000 1.408 296 L HN 0.686 nan 8.230 nan 0.000 0.463 297 N N 4.240 122.925 118.700 -0.027 0.000 2.895 297 N HA 0.483 5.225 4.740 0.004 0.000 0.277 297 N C -1.159 174.377 175.510 0.045 0.000 1.185 297 N CA -0.133 52.924 53.050 0.012 0.000 1.106 297 N CB 0.504 39.008 38.487 0.027 0.000 1.422 297 N HN 0.258 nan 8.380 nan 0.000 0.521 298 V N 0.740 120.683 119.914 0.049 0.000 2.932 298 V HA 0.304 4.426 4.120 0.004 0.000 0.307 298 V C -0.067 176.052 176.094 0.040 0.000 1.147 298 V CA -1.001 61.343 62.300 0.074 0.000 0.951 298 V CB 2.415 34.333 31.823 0.159 0.000 1.031 298 V HN 0.418 nan 8.190 nan 0.000 0.426 299 R N 3.036 123.550 120.500 0.022 0.000 2.316 299 R HA 0.612 4.955 4.340 0.004 0.000 0.314 299 R C -1.105 175.177 176.300 -0.031 0.000 1.069 299 R CA 0.107 56.211 56.100 0.006 0.000 0.959 299 R CB 0.295 30.599 30.300 0.008 0.000 0.987 299 R HN 0.696 nan 8.270 nan 0.000 0.446 300 I N 5.861 126.418 120.570 -0.023 0.000 2.497 300 I HA 0.129 4.301 4.170 0.004 0.000 0.284 300 I C 0.683 176.777 176.117 -0.038 0.000 1.060 300 I CA -0.277 60.988 61.300 -0.057 0.000 1.071 300 I CB 1.896 39.869 38.000 -0.046 0.000 1.216 300 I HN 1.090 nan 8.210 nan 0.000 0.442 301 T N 2.964 117.468 114.554 -0.083 0.000 13.920 301 T HA -0.378 3.974 4.350 0.004 0.000 0.417 301 T C 1.285 176.034 174.700 0.082 0.000 1.442 301 T CA 1.664 63.727 62.100 -0.061 0.000 2.330 301 T CB -0.891 67.887 68.868 -0.150 0.000 2.759 301 T HN 0.517 nan 8.240 nan 0.000 0.364 302 N N 2.494 121.276 118.700 0.138 0.000 2.025 302 N HA 0.003 4.745 4.740 0.004 0.000 0.194 302 N C 1.492 177.034 175.510 0.052 0.000 1.044 302 N CA 1.927 55.029 53.050 0.088 0.000 0.851 302 N CB -1.240 37.286 38.487 0.065 0.000 1.036 302 N HN 1.082 nan 8.380 nan 0.000 0.422 303 C N -2.060 117.270 119.300 0.050 0.000 2.711 303 C HA 0.797 5.260 4.460 0.004 0.000 0.410 303 C C 0.356 175.370 174.990 0.040 0.000 1.553 303 C CA -1.147 57.900 59.018 0.048 0.000 1.759 303 C CB 0.943 28.717 27.740 0.056 0.000 2.077 303 C HN -0.014 nan 8.230 nan 0.000 0.483 304 V N 2.243 122.182 119.914 0.042 0.000 2.409 304 V HA 0.412 4.534 4.120 0.004 0.000 0.291 304 V C 0.657 176.768 176.094 0.028 0.000 1.020 304 V CA -0.319 62.003 62.300 0.035 0.000 0.848 304 V CB 1.335 33.183 31.823 0.041 0.000 0.990 304 V HN 0.813 nan 8.190 nan 0.000 0.430 305 R N 3.375 123.889 120.500 0.024 0.000 3.385 305 R HA 0.069 4.411 4.340 0.004 0.000 0.236 305 R C 0.482 176.782 176.300 -0.000 0.000 1.663 305 R CA -0.229 55.883 56.100 0.020 0.000 1.444 305 R CB -0.633 29.685 30.300 0.029 0.000 1.218 305 R HN 0.722 nan 8.270 nan 0.000 0.575 306 K N 0.681 121.070 120.400 -0.018 0.000 2.319 306 K HA 0.109 4.432 4.320 0.004 0.000 0.265 306 K C -0.313 176.247 176.600 -0.067 0.000 1.000 306 K CA -0.425 55.828 56.287 -0.057 0.000 0.943 306 K CB 0.602 33.054 32.500 -0.079 0.000 0.950 306 K HN -0.161 nan 8.250 nan 0.000 0.485 307 N N 1.103 119.747 118.700 -0.093 0.000 2.437 307 N HA 0.156 4.898 4.740 0.004 0.000 0.243 307 N C -0.568 174.810 175.510 -0.219 0.000 1.041 307 N CA -0.217 52.760 53.050 -0.122 0.000 0.940 307 N CB 1.305 39.737 38.487 -0.092 0.000 1.133 307 N HN 0.716 nan 8.380 nan 0.000 0.506 308 A N 2.520 125.133 122.820 -0.345 0.000 2.386 308 A HA 0.106 4.429 4.320 0.004 0.000 0.248 308 A C 1.510 178.648 177.584 -0.744 0.000 1.082 308 A CA -0.781 50.890 52.037 -0.609 0.000 0.789 308 A CB 0.125 18.540 19.000 -0.974 0.000 1.025 308 A HN 0.870 nan 8.150 nan 0.000 0.490 309 W N 1.938 122.836 121.300 -0.670 0.000 2.305 309 W HA -0.365 4.297 4.660 0.004 0.000 0.308 309 W C 1.316 177.593 176.519 -0.402 0.000 1.226 309 W CA 2.149 59.187 57.345 -0.512 0.000 1.253 309 W CB -1.144 27.961 29.460 -0.592 0.000 1.146 309 W HN 0.912 nan 8.180 nan 0.000 0.507 310 Y N 0.132 119.546 120.300 -1.477 0.000 2.263 310 Y HA 0.105 4.658 4.550 0.004 0.000 0.292 310 Y C 2.375 177.933 175.900 -0.571 0.000 1.130 310 Y CA 1.431 58.676 58.100 -1.425 0.000 1.179 310 Y CB -1.421 36.089 38.460 -1.583 0.000 0.998 310 Y HN 0.004 nan 8.280 nan 0.000 0.532 311 E N 1.019 121.048 120.200 -0.285 0.000 2.160 311 E HA -0.153 4.199 4.350 0.004 0.000 0.195 311 E C 1.973 178.523 176.600 -0.082 0.000 0.991 311 E CA 1.329 57.670 56.400 -0.098 0.000 0.810 311 E CB -0.209 29.411 29.700 -0.134 0.000 0.742 311 E HN 0.553 nan 8.360 nan 0.000 0.466 312 L N 0.891 122.032 121.223 -0.138 0.000 2.156 312 L HA -0.149 4.194 4.340 0.004 0.000 0.208 312 L C 2.268 179.143 176.870 0.009 0.000 1.095 312 L CA 0.724 55.534 54.840 -0.050 0.000 0.770 312 L CB -0.180 41.842 42.059 -0.061 0.000 0.914 312 L HN 0.084 nan 8.230 nan 0.000 0.439 313 E N -0.268 119.929 120.200 -0.005 0.000 2.107 313 E HA -0.153 4.199 4.350 0.004 0.000 0.191 313 E C 2.331 178.964 176.600 0.055 0.000 0.982 313 E CA 1.520 57.950 56.400 0.052 0.000 0.809 313 E CB -0.213 29.526 29.700 0.065 0.000 0.756 313 E HN 0.498 nan 8.360 nan 0.000 0.459 314 S N 0.747 116.465 115.700 0.030 0.000 2.436 314 S HA -0.076 4.397 4.470 0.004 0.000 0.228 314 S C 2.065 176.722 174.600 0.096 0.000 1.014 314 S CA 1.234 59.465 58.200 0.050 0.000 0.950 314 S CB -0.426 62.791 63.200 0.028 0.000 0.784 314 S HN 0.107 nan 8.310 nan 0.000 0.504 315 T N 3.081 117.708 114.554 0.122 0.000 2.580 315 T HA -0.126 4.227 4.350 0.004 0.000 0.265 315 T C 1.896 176.731 174.700 0.225 0.000 1.063 315 T CA 1.778 64.007 62.100 0.215 0.000 1.170 315 T CB -1.080 67.886 68.868 0.164 0.000 0.863 315 T HN 0.296 nan 8.240 nan 0.000 0.418 316 V N 2.309 122.319 119.914 0.160 0.000 2.233 316 V HA -0.297 3.826 4.120 0.004 0.000 0.256 316 V C 2.575 178.750 176.094 0.135 0.000 1.069 316 V CA 2.237 64.623 62.300 0.143 0.000 1.054 316 V CB -1.151 30.740 31.823 0.114 0.000 0.664 316 V HN 0.464 nan 8.190 nan 0.000 0.453 317 L N -0.789 120.498 121.223 0.107 0.000 2.046 317 L HA -0.179 4.163 4.340 0.004 0.000 0.208 317 L C 2.514 179.426 176.870 0.070 0.000 1.077 317 L CA 1.325 56.214 54.840 0.081 0.000 0.747 317 L CB -0.750 41.347 42.059 0.064 0.000 0.896 317 L HN 0.286 nan 8.230 nan 0.000 0.432 318 I N 0.472 121.085 120.570 0.073 0.000 2.179 318 I HA -0.301 3.872 4.170 0.004 0.000 0.242 318 I C 2.264 178.436 176.117 0.090 0.000 1.088 318 I CA 1.877 63.186 61.300 0.015 0.000 1.357 318 I CB -1.068 36.848 38.000 -0.141 0.000 1.051 318 I HN 0.348 nan 8.210 nan 0.000 0.409 319 D N 0.884 121.411 120.400 0.212 0.000 2.103 319 D HA -0.256 4.386 4.640 0.004 0.000 0.190 319 D C 2.451 178.877 176.300 0.210 0.000 0.997 319 D CA 1.463 55.664 54.000 0.336 0.000 0.833 319 D CB -0.077 40.932 40.800 0.349 0.000 0.961 319 D HN 0.068 nan 8.370 nan 0.000 0.447 320 R N -0.519 120.065 120.500 0.141 0.000 2.159 320 R HA -0.140 4.203 4.340 0.004 0.000 0.237 320 R C 2.266 178.587 176.300 0.035 0.000 1.131 320 R CA 0.807 56.960 56.100 0.089 0.000 0.982 320 R CB -0.305 30.039 30.300 0.073 0.000 0.868 320 R HN 0.292 nan 8.270 nan 0.000 0.453 321 L N -0.157 121.066 121.223 -0.000 0.000 2.005 321 L HA -0.066 4.276 4.340 0.004 0.000 0.207 321 L C 1.777 178.493 176.870 -0.256 0.000 1.072 321 L CA 1.682 56.419 54.840 -0.173 0.000 0.744 321 L CB -0.458 41.443 42.059 -0.263 0.000 0.895 321 L HN 0.066 nan 8.230 nan 0.000 0.433 322 F N -0.302 119.513 119.950 -0.226 0.000 2.250 322 F HA -0.194 4.335 4.527 0.004 0.000 0.301 322 F C 2.580 178.323 175.800 -0.094 0.000 1.077 322 F CA 1.306 59.190 58.000 -0.194 0.000 1.348 322 F CB -0.240 38.651 39.000 -0.183 0.000 1.040 322 F HN 0.021 nan 8.300 nan 0.000 0.509 323 R N -0.171 120.394 120.500 0.108 0.000 2.055 323 R HA -0.118 4.224 4.340 0.004 0.000 0.226 323 R C 2.194 178.506 176.300 0.020 0.000 1.135 323 R CA 1.225 57.369 56.100 0.073 0.000 0.959 323 R CB -0.499 29.857 30.300 0.093 0.000 0.854 323 R HN 0.264 nan 8.270 nan 0.000 0.431 324 Q N 0.419 120.215 119.800 -0.007 0.000 2.082 324 Q HA -0.264 4.078 4.340 0.004 0.000 0.211 324 Q C 2.119 178.126 176.000 0.011 0.000 1.002 324 Q CA 1.989 57.791 55.803 -0.003 0.000 0.868 324 Q CB -0.334 28.382 28.738 -0.036 0.000 0.931 324 Q HN 0.291 nan 8.270 nan 0.000 0.414 325 L N -0.232 120.901 121.223 -0.149 0.000 1.994 325 L HA -0.224 4.118 4.340 0.004 0.000 0.208 325 L C 2.330 179.184 176.870 -0.027 0.000 1.071 325 L CA 1.136 55.861 54.840 -0.192 0.000 0.745 325 L CB -0.416 41.309 42.059 -0.556 0.000 0.892 325 L HN 0.216 nan 8.230 nan 0.000 0.431 326 L N -0.588 120.618 121.223 -0.029 0.000 2.046 326 L HA -0.236 4.106 4.340 0.004 0.000 0.208 326 L C 2.275 179.164 176.870 0.031 0.000 1.077 326 L CA 1.124 55.977 54.840 0.021 0.000 0.747 326 L CB -0.538 41.553 42.059 0.053 0.000 0.896 326 L HN 0.292 nan 8.230 nan 0.000 0.432 327 D N -0.740 119.680 120.400 0.032 0.000 2.178 327 D HA -0.219 4.424 4.640 0.004 0.000 0.201 327 D C 2.149 178.456 176.300 0.012 0.000 0.980 327 D CA 1.350 55.365 54.000 0.026 0.000 0.842 327 D CB 0.316 41.134 40.800 0.030 0.000 0.948 327 D HN 0.318 nan 8.370 nan 0.000 0.472 328 Q N -2.390 117.422 119.800 0.021 0.000 2.279 328 Q HA 0.097 4.439 4.340 0.004 0.000 0.261 328 Q C 0.314 176.201 176.000 -0.189 0.000 0.796 328 Q CA 0.001 55.767 55.803 -0.062 0.000 0.971 328 Q CB 0.736 29.468 28.738 -0.010 0.000 1.179 328 Q HN 0.223 nan 8.270 nan 0.000 0.505 329 H N -1.049 118.009 119.070 -0.019 0.000 2.510 329 H HA 0.420 4.978 4.556 0.004 0.000 0.266 329 H C 0.923 176.264 175.328 0.022 0.000 1.146 329 H CA 0.412 56.467 56.048 0.012 0.000 0.993 329 H CB 0.944 30.694 29.762 -0.020 0.000 1.727 329 H HN 0.305 nan 8.280 nan 0.000 0.590 330 A N 0.761 123.627 122.820 0.077 0.000 1.881 330 A HA -0.311 4.011 4.320 0.004 0.000 0.219 330 A C 1.773 179.396 177.584 0.066 0.000 1.215 330 A CA 2.437 54.507 52.037 0.056 0.000 0.648 330 A CB -0.373 18.643 19.000 0.027 0.000 0.832 330 A HN 0.384 nan 8.150 nan 0.000 0.455 331 D N -0.555 119.879 120.400 0.057 0.000 2.149 331 D HA -0.117 4.525 4.640 0.004 0.000 0.198 331 D C 1.992 178.337 176.300 0.075 0.000 0.990 331 D CA 1.934 55.964 54.000 0.051 0.000 0.839 331 D CB -0.921 39.899 40.800 0.034 0.000 0.948 331 D HN 0.672 nan 8.370 nan 0.000 0.460 332 T N -1.809 112.820 114.554 0.125 0.000 3.215 332 T HA 0.099 4.451 4.350 0.004 0.000 0.254 332 T C 1.467 176.273 174.700 0.175 0.000 1.149 332 T CA 0.091 62.281 62.100 0.150 0.000 1.042 332 T CB -0.354 68.659 68.868 0.242 0.000 0.966 332 T HN 0.131 nan 8.240 nan 0.000 0.534 333 L N 0.161 121.466 121.223 0.136 0.000 2.808 333 L HA 0.434 4.776 4.340 0.004 0.000 0.246 333 L C 1.813 178.726 176.870 0.071 0.000 1.153 333 L CA -0.135 54.771 54.840 0.110 0.000 0.956 333 L CB -0.246 41.856 42.059 0.071 0.000 1.270 333 L HN 0.441 nan 8.230 nan 0.000 0.528 334 G N 1.024 109.860 108.800 0.060 0.000 2.361 334 G HA2 -0.246 3.717 3.960 0.004 0.000 0.294 334 G HA3 -0.246 3.717 3.960 0.004 0.000 0.294 334 G C 0.989 175.896 174.900 0.012 0.000 1.004 334 G CA 0.667 45.789 45.100 0.036 0.000 0.870 334 G HN 0.732 nan 8.290 nan 0.000 0.510 335 G N -2.196 106.612 108.800 0.014 0.000 2.138 335 G HA2 0.045 4.008 3.960 0.004 0.000 0.193 335 G HA3 0.045 4.008 3.960 0.004 0.000 0.193 335 G C 0.437 175.332 174.900 -0.007 0.000 0.998 335 G CA 0.275 45.373 45.100 -0.004 0.000 0.668 335 G HN 1.838 nan 8.290 nan 0.000 0.516 336 L N 1.054 122.284 121.223 0.012 0.000 2.578 336 L HA 0.507 4.849 4.340 0.004 0.000 0.279 336 L C 0.192 177.073 176.870 0.017 0.000 1.227 336 L CA 0.343 55.196 54.840 0.021 0.000 0.900 336 L CB 0.972 43.066 42.059 0.059 0.000 1.144 336 L HN 0.167 nan 8.230 nan 0.000 0.496 337 V N 5.779 125.689 119.914 -0.006 0.000 2.443 337 V HA 0.848 4.970 4.120 0.004 0.000 0.293 337 V C -0.046 176.028 176.094 -0.033 0.000 1.021 337 V CA 0.035 62.322 62.300 -0.021 0.000 0.848 337 V CB 1.057 32.844 31.823 -0.060 0.000 0.998 337 V HN 1.063 nan 8.190 nan 0.000 0.424 338 A N 3.893 126.714 122.820 0.002 0.000 2.449 338 A HA 0.952 5.274 4.320 0.004 0.000 0.302 338 A C -0.245 177.339 177.584 -0.000 0.000 1.048 338 A CA -0.337 51.699 52.037 -0.002 0.000 0.708 338 A CB 1.756 20.799 19.000 0.072 0.000 1.274 338 A HN 1.324 nan 8.150 nan 0.000 0.410 339 A N 1.231 124.017 122.820 -0.056 0.000 2.366 339 A HA 0.660 4.983 4.320 0.004 0.000 0.272 339 A C 0.786 178.337 177.584 -0.054 0.000 1.135 339 A CA 0.271 52.302 52.037 -0.010 0.000 0.804 339 A CB -0.057 18.967 19.000 0.040 0.000 1.064 339 A HN 2.309 nan 8.150 nan 0.000 0.499 340 A N 2.353 125.196 122.820 0.038 0.000 2.466 340 A HA 0.409 4.732 4.320 0.004 0.000 0.238 340 A C 0.291 177.810 177.584 -0.108 0.000 1.074 340 A CA 0.132 52.202 52.037 0.055 0.000 0.774 340 A CB 0.010 19.084 19.000 0.124 0.000 1.015 340 A HN 0.806 nan 8.150 nan 0.000 0.498 341 E N 1.652 121.778 120.200 -0.124 0.000 3.303 341 E HA 0.193 4.546 4.350 0.004 0.000 0.215 341 E C -2.075 174.576 176.600 0.085 0.000 1.181 341 E CA -1.452 54.879 56.400 -0.116 0.000 0.998 341 E CB 1.115 30.593 29.700 -0.369 0.000 1.312 341 E HN 0.521 nan 8.360 nan 0.000 0.412 342 P HA 0.048 nan 4.420 nan 0.000 0.241 342 P C 0.304 177.661 177.300 0.095 0.000 1.191 342 P CA 0.357 63.536 63.100 0.133 0.000 0.771 342 P CB 0.716 32.520 31.700 0.173 0.000 0.929 343 G N -1.223 107.621 108.800 0.073 0.000 2.742 343 G HA2 0.532 4.494 3.960 0.004 0.000 0.296 343 G HA3 0.532 4.494 3.960 0.004 0.000 0.296 343 G C -2.103 172.916 174.900 0.198 0.000 1.436 343 G CA -0.286 44.871 45.100 0.095 0.000 0.928 343 G HN -0.129 nan 8.290 nan 0.000 0.520 344 V N 0.514 120.549 119.914 0.202 0.000 2.817 344 V HA 0.727 4.849 4.120 0.004 0.000 0.303 344 V C -0.928 175.192 176.094 0.043 0.000 1.151 344 V CA -0.760 61.633 62.300 0.155 0.000 0.929 344 V CB 1.650 33.537 31.823 0.106 0.000 1.030 344 V HN 0.954 nan 8.190 nan 0.000 0.427 345 V N 4.260 124.086 119.914 -0.146 0.000 2.841 345 V HA 0.981 5.103 4.120 0.004 0.000 0.310 345 V C -0.542 175.446 176.094 -0.177 0.000 1.090 345 V CA 0.210 62.396 62.300 -0.190 0.000 0.930 345 V CB 2.557 34.146 31.823 -0.391 0.000 1.014 345 V HN 1.218 nan 8.190 nan 0.000 0.425 346 S N 4.500 120.175 115.700 -0.042 0.000 2.607 346 S HA 0.781 5.253 4.470 0.004 0.000 0.273 346 S C -1.557 173.124 174.600 0.134 0.000 1.148 346 S CA -0.743 57.441 58.200 -0.026 0.000 0.833 346 S CB 1.800 64.948 63.200 -0.087 0.000 1.130 346 S HN 1.188 nan 8.310 nan 0.000 0.470 347 W N 1.427 122.682 121.300 -0.076 0.000 2.950 347 W HA 0.747 5.409 4.660 0.004 0.000 0.340 347 W C -1.163 175.336 176.519 -0.034 0.000 1.139 347 W CA -0.010 57.329 57.345 -0.009 0.000 1.188 347 W CB 2.108 31.532 29.460 -0.060 0.000 1.426 347 W HN 1.259 nan 8.180 nan 0.000 0.531 348 S N 3.617 118.573 115.700 -1.239 0.000 2.542 348 S HA 0.521 4.994 4.470 0.004 0.000 0.276 348 S C -3.100 170.458 174.600 -1.737 0.000 1.148 348 S CA -1.436 56.002 58.200 -1.270 0.000 0.886 348 S CB 1.810 64.718 63.200 -0.488 0.000 1.109 348 S HN 0.216 nan 8.310 nan 0.000 0.458 349 P HA 0.201 nan 4.420 nan 0.000 0.265 349 P C 1.093 178.080 177.300 -0.522 0.000 1.187 349 P CA 0.329 62.894 63.100 -0.892 0.000 0.766 349 P CB 0.257 31.658 31.700 -0.498 0.000 0.820 350 A N 4.415 127.040 122.820 -0.325 0.000 1.869 350 A HA -0.242 4.080 4.320 0.004 0.000 0.218 350 A C 1.969 179.456 177.584 -0.162 0.000 1.203 350 A CA 2.588 54.502 52.037 -0.205 0.000 0.638 350 A CB -1.651 17.285 19.000 -0.108 0.000 0.831 350 A HN 0.561 nan 8.150 nan 0.000 0.450 351 A N -1.149 121.596 122.820 -0.125 0.000 2.275 351 A HA 0.621 4.943 4.320 0.004 0.000 0.212 351 A C 1.168 178.701 177.584 -0.086 0.000 1.201 351 A CA 0.712 52.693 52.037 -0.093 0.000 0.843 351 A CB -1.010 17.954 19.000 -0.060 0.000 0.873 351 A HN 1.237 nan 8.150 nan 0.000 0.492 352 A N 0.175 122.926 122.820 -0.115 0.000 2.555 352 A HA 0.444 4.767 4.320 0.004 0.000 0.233 352 A C 0.880 178.424 177.584 -0.067 0.000 1.060 352 A CA 0.550 52.543 52.037 -0.074 0.000 0.759 352 A CB -0.187 18.764 19.000 -0.082 0.000 0.995 352 A HN 0.889 nan 8.150 nan 0.000 0.506 353 G N 0.285 109.056 108.800 -0.049 0.000 2.400 353 G HA2 0.442 4.405 3.960 0.004 0.000 0.301 353 G HA3 0.442 4.405 3.960 0.004 0.000 0.301 353 G C 0.642 175.480 174.900 -0.104 0.000 1.154 353 G CA 0.242 45.299 45.100 -0.072 0.000 0.852 353 G HN 0.978 nan 8.290 nan 0.000 0.511 354 E N 1.431 121.522 120.200 -0.181 0.000 2.284 354 E HA -0.251 4.102 4.350 0.004 0.000 0.200 354 E C 1.877 178.239 176.600 -0.397 0.000 1.008 354 E CA 0.800 56.981 56.400 -0.364 0.000 0.829 354 E CB -0.076 29.300 29.700 -0.539 0.000 0.744 354 E HN 0.340 nan 8.360 nan 0.000 0.491 355 L N 1.726 122.824 121.223 -0.207 0.000 2.083 355 L HA -0.152 4.191 4.340 0.004 0.000 0.209 355 L C 1.480 178.357 176.870 0.011 0.000 1.083 355 L CA 1.947 56.720 54.840 -0.113 0.000 0.752 355 L CB -0.477 41.547 42.059 -0.058 0.000 0.899 355 L HN 0.155 nan 8.230 nan 0.000 0.433 356 D N -1.512 118.912 120.400 0.041 0.000 2.107 356 D HA -0.164 4.479 4.640 0.004 0.000 0.204 356 D C 2.201 178.692 176.300 0.319 0.000 0.978 356 D CA 1.484 55.615 54.000 0.218 0.000 0.852 356 D CB -0.426 40.499 40.800 0.209 0.000 1.008 356 D HN 0.363 nan 8.370 nan 0.000 0.458 357 S N 0.370 116.146 115.700 0.127 0.000 2.393 357 S HA -0.310 4.162 4.470 0.004 0.000 0.235 357 S C 1.834 176.511 174.600 0.129 0.000 1.061 357 S CA 1.855 60.094 58.200 0.065 0.000 1.129 357 S CB -0.731 62.428 63.200 -0.069 0.000 1.011 357 S HN 0.379 nan 8.310 nan 0.000 0.436 358 H N -1.625 117.361 119.070 -0.139 0.000 2.257 358 H HA -0.215 4.343 4.556 0.004 0.000 0.292 358 H C 1.943 177.289 175.328 0.031 0.000 1.075 358 H CA 1.756 57.689 56.048 -0.191 0.000 1.212 358 H CB -0.697 28.851 29.762 -0.357 0.000 1.354 358 H HN 0.681 nan 8.280 nan 0.000 0.497 359 W N 1.463 122.835 121.300 0.120 0.000 2.275 359 W HA -0.352 4.311 4.660 0.004 0.000 0.321 359 W C 2.011 178.543 176.519 0.022 0.000 1.269 359 W CA 2.044 59.416 57.345 0.046 0.000 1.274 359 W CB -0.869 28.576 29.460 -0.024 0.000 1.141 359 W HN 0.065 nan 8.180 nan 0.000 0.493 360 F N 0.268 120.283 119.950 0.109 0.000 2.026 360 F HA -0.212 4.317 4.527 0.004 0.000 0.296 360 F C 2.677 178.316 175.800 -0.268 0.000 1.133 360 F CA 2.681 60.632 58.000 -0.081 0.000 1.188 360 F CB -1.248 37.834 39.000 0.135 0.000 0.968 360 F HN -0.280 nan 8.300 nan 0.000 0.476 361 R N 0.188 120.691 120.500 0.004 0.000 2.276 361 R HA -0.215 4.128 4.340 0.004 0.000 0.243 361 R C 1.915 178.111 176.300 -0.174 0.000 1.161 361 R CA 1.592 57.617 56.100 -0.125 0.000 1.007 361 R CB -0.590 29.586 30.300 -0.208 0.000 0.867 361 R HN 0.570 nan 8.270 nan 0.000 0.472 362 E N -0.152 119.910 120.200 -0.232 0.000 2.447 362 E HA -0.083 4.269 4.350 0.004 0.000 0.195 362 E C 1.255 177.635 176.600 -0.367 0.000 1.028 362 E CA 0.178 56.419 56.400 -0.265 0.000 0.876 362 E CB 0.323 29.903 29.700 -0.200 0.000 0.885 362 E HN 0.185 nan 8.360 nan 0.000 0.500 363 Q N 0.765 120.237 119.800 -0.548 0.000 2.204 363 Q HA -0.012 4.331 4.340 0.004 0.000 0.198 363 Q C 2.042 177.691 176.000 -0.584 0.000 0.946 363 Q CA 2.029 57.457 55.803 -0.625 0.000 0.859 363 Q CB 0.219 28.414 28.738 -0.905 0.000 0.946 363 Q HN 0.484 nan 8.270 nan 0.000 0.474 364 T N -2.634 111.612 114.554 -0.513 0.000 3.086 364 T HA 0.264 4.617 4.350 0.004 0.000 0.250 364 T C 1.003 175.543 174.700 -0.266 0.000 1.074 364 T CA 0.146 61.987 62.100 -0.432 0.000 0.988 364 T CB -0.085 68.611 68.868 -0.287 0.000 0.988 364 T HN 0.147 nan 8.240 nan 0.000 0.530 365 G N 0.487 109.150 108.800 -0.228 0.000 2.265 365 G HA2 0.444 4.407 3.960 0.004 0.000 0.240 365 G HA3 0.444 4.407 3.960 0.004 0.000 0.240 365 G C 0.151 174.961 174.900 -0.150 0.000 1.270 365 G CA -0.080 44.920 45.100 -0.167 0.000 0.901 365 G HN 0.659 nan 8.290 nan 0.000 0.507 366 G N 0.314 109.004 108.800 -0.184 0.000 2.620 366 G HA2 0.619 4.582 3.960 0.004 0.000 0.301 366 G HA3 0.619 4.582 3.960 0.004 0.000 0.301 366 G C -1.088 173.868 174.900 0.093 0.000 1.347 366 G CA -0.773 44.254 45.100 -0.122 0.000 0.971 366 G HN 0.673 nan 8.290 nan 0.000 0.488 367 I N 0.991 121.768 120.570 0.345 0.000 2.534 367 I HA 0.321 4.494 4.170 0.004 0.000 0.288 367 I C -0.483 175.817 176.117 0.305 0.000 1.077 367 I CA -0.559 60.936 61.300 0.325 0.000 1.051 367 I CB 2.413 40.499 38.000 0.143 0.000 1.234 367 I HN 0.163 nan 8.210 nan 0.000 0.425 368 L N 5.889 127.201 121.223 0.148 0.000 2.292 368 L HA 0.531 4.873 4.340 0.004 0.000 0.284 368 L C 0.131 177.061 176.870 0.100 0.000 1.065 368 L CA -0.363 54.431 54.840 -0.077 0.000 0.806 368 L CB 1.097 42.836 42.059 -0.532 0.000 1.175 368 L HN 0.554 nan 8.230 nan 0.000 0.431 369 R N 3.226 123.869 120.500 0.239 0.000 2.460 369 R HA 0.193 4.535 4.340 0.004 0.000 0.303 369 R C -0.143 176.397 176.300 0.400 0.000 0.968 369 R CA -0.672 55.595 56.100 0.279 0.000 0.889 369 R CB 1.278 31.755 30.300 0.295 0.000 1.123 369 R HN 0.627 nan 8.270 nan 0.000 0.455 370 E N 3.721 124.086 120.200 0.274 0.000 2.585 370 E HA -0.187 4.165 4.350 0.004 0.000 0.252 370 E C -0.778 175.862 176.600 0.068 0.000 0.981 370 E CA 0.098 56.562 56.400 0.108 0.000 0.943 370 E CB 0.436 30.186 29.700 0.082 0.000 0.923 370 E HN 0.460 nan 8.360 nan 0.000 0.486 371 N N 5.297 123.842 118.700 -0.258 0.000 2.406 371 N HA -0.081 4.661 4.740 0.004 0.000 0.269 371 N C 0.265 175.543 175.510 -0.386 0.000 1.210 371 N CA -0.197 52.522 53.050 -0.552 0.000 0.966 371 N CB -0.357 37.783 38.487 -0.577 0.000 1.293 371 N HN 0.533 nan 8.380 nan 0.000 0.491 372 F N 0.683 120.559 119.950 -0.123 0.000 2.748 372 F HA 0.165 4.695 4.527 0.004 0.000 0.299 372 F C 1.778 177.501 175.800 -0.129 0.000 1.154 372 F CA -0.615 57.321 58.000 -0.106 0.000 1.446 372 F CB -0.860 38.097 39.000 -0.070 0.000 1.112 372 F HN 0.282 nan 8.300 nan 0.000 0.584 373 C N 1.557 120.545 119.300 -0.520 0.000 2.419 373 C HA -0.093 4.370 4.460 0.004 0.000 0.283 373 C C 2.830 177.754 174.990 -0.110 0.000 1.373 373 C CA 0.591 59.450 59.018 -0.264 0.000 1.781 373 C CB -1.054 26.524 27.740 -0.271 0.000 1.886 373 C HN 0.493 nan 8.230 nan 0.000 0.520 374 R N 0.764 121.185 120.500 -0.132 0.000 2.075 374 R HA -0.034 4.308 4.340 0.004 0.000 0.232 374 R C 2.131 178.399 176.300 -0.053 0.000 1.126 374 R CA 0.899 56.940 56.100 -0.099 0.000 0.963 374 R CB -0.509 29.703 30.300 -0.147 0.000 0.858 374 R HN 0.580 nan 8.270 nan 0.000 0.435 375 R N 0.461 120.947 120.500 -0.023 0.000 2.193 375 R HA -0.024 4.318 4.340 0.004 0.000 0.213 375 R C 1.512 177.826 176.300 0.023 0.000 1.055 375 R CA 1.623 57.726 56.100 0.006 0.000 0.995 375 R CB 0.175 30.494 30.300 0.031 0.000 0.893 375 R HN 0.373 nan 8.270 nan 0.000 0.459 376 T N -4.302 110.279 114.554 0.045 0.000 3.016 376 T HA 0.240 4.592 4.350 0.004 0.000 0.271 376 T C 0.582 175.302 174.700 0.033 0.000 0.968 376 T CA 0.203 62.339 62.100 0.059 0.000 0.891 376 T CB 1.238 70.188 68.868 0.136 0.000 1.149 376 T HN 0.243 nan 8.240 nan 0.000 0.524 377 G N 1.353 110.155 108.800 0.005 0.000 3.429 377 G HA2 0.211 4.173 3.960 0.004 0.000 0.605 377 G HA3 0.211 4.173 3.960 0.004 0.000 0.605 377 G C 0.951 175.836 174.900 -0.025 0.000 0.973 377 G CA -0.293 44.800 45.100 -0.013 0.000 0.774 377 G HN 1.037 nan 8.290 nan 0.000 0.422 378 A N 2.009 124.792 122.820 -0.062 0.000 1.942 378 A HA -0.244 4.079 4.320 0.004 0.000 0.227 378 A C 1.928 179.361 177.584 -0.252 0.000 1.445 378 A CA 2.502 54.433 52.037 -0.177 0.000 0.704 378 A CB -0.306 18.541 19.000 -0.256 0.000 0.841 378 A HN 1.011 nan 8.150 nan 0.000 0.495 379 E N -1.850 118.257 120.200 -0.155 0.000 2.419 379 E HA 0.145 4.497 4.350 0.004 0.000 0.190 379 E C 1.384 178.064 176.600 0.134 0.000 1.040 379 E CA -0.026 56.367 56.400 -0.011 0.000 0.900 379 E CB 0.233 29.972 29.700 0.065 0.000 1.054 379 E HN 0.621 nan 8.360 nan 0.000 0.462 380 R N 0.641 121.195 120.500 0.091 0.000 2.521 380 R HA 0.072 4.414 4.340 0.004 0.000 0.289 380 R C -0.187 176.288 176.300 0.293 0.000 0.936 380 R CA 0.201 56.310 56.100 0.015 0.000 1.089 380 R CB 0.912 31.168 30.300 -0.074 0.000 1.348 380 R HN 0.001 nan 8.270 nan 0.000 0.536 381 S N 0.180 116.034 115.700 0.258 0.000 2.561 381 S HA 0.598 5.070 4.470 0.004 0.000 0.303 381 S C -0.579 174.172 174.600 0.251 0.000 1.110 381 S CA -0.809 57.539 58.200 0.247 0.000 1.034 381 S CB 2.006 65.323 63.200 0.194 0.000 1.010 381 S HN 0.059 nan 8.310 nan 0.000 0.482 382 I N 2.963 123.629 120.570 0.161 0.000 2.533 382 I HA 0.350 4.523 4.170 0.004 0.000 0.290 382 I C -0.111 176.018 176.117 0.020 0.000 1.056 382 I CA -0.731 60.600 61.300 0.052 0.000 1.057 382 I CB 2.160 40.041 38.000 -0.198 0.000 1.240 382 I HN 0.644 nan 8.210 nan 0.000 0.423 383 M N 5.279 124.908 119.600 0.050 0.000 2.268 383 M HA 0.178 4.660 4.480 0.004 0.000 0.349 383 M C 1.148 177.359 176.300 -0.149 0.000 1.485 383 M CA 0.314 55.621 55.300 0.012 0.000 1.094 383 M CB 1.131 33.738 32.600 0.011 0.000 1.843 383 M HN 0.957 nan 8.290 nan 0.000 0.460 384 A N 5.610 128.344 122.820 -0.145 0.000 1.873 384 A HA -0.133 4.189 4.320 0.004 0.000 0.218 384 A C 1.882 179.252 177.584 -0.358 0.000 1.193 384 A CA 2.256 54.113 52.037 -0.300 0.000 0.629 384 A CB -1.530 17.403 19.000 -0.112 0.000 0.826 384 A HN 1.028 nan 8.150 nan 0.000 0.447 385 G N -1.341 107.342 108.800 -0.194 0.000 2.503 385 G HA2 -0.237 3.726 3.960 0.004 0.000 0.221 385 G HA3 -0.237 3.726 3.960 0.004 0.000 0.221 385 G C 1.539 176.347 174.900 -0.154 0.000 1.131 385 G CA 1.812 46.827 45.100 -0.141 0.000 0.756 385 G HN 0.483 nan 8.290 nan 0.000 0.572 386 T N 0.845 115.270 114.554 -0.216 0.000 2.896 386 T HA -0.015 4.338 4.350 0.004 0.000 0.263 386 T C 2.192 176.708 174.700 -0.307 0.000 1.050 386 T CA 0.748 62.698 62.100 -0.250 0.000 1.140 386 T CB -0.164 68.529 68.868 -0.292 0.000 0.877 386 T HN 0.096 nan 8.240 nan 0.000 0.457 387 L N 1.012 121.953 121.223 -0.471 0.000 2.043 387 L HA -0.017 4.325 4.340 0.004 0.000 0.212 387 L C 0.884 177.440 176.870 -0.524 0.000 1.075 387 L CA 1.781 56.212 54.840 -0.682 0.000 0.752 387 L CB -0.848 40.550 42.059 -1.102 0.000 0.891 387 L HN 0.243 nan 8.230 nan 0.000 0.432 388 F N -0.648 119.224 119.950 -0.130 0.000 2.684 388 F HA 0.523 5.052 4.527 0.004 0.000 0.298 388 F C 0.974 176.743 175.800 -0.052 0.000 1.120 388 F CA -0.502 57.440 58.000 -0.097 0.000 1.332 388 F CB -1.376 37.572 39.000 -0.086 0.000 0.986 388 F HN -0.002 nan 8.300 nan 0.000 0.524 389 A N 0.664 123.519 122.820 0.059 0.000 2.257 389 A HA 0.707 5.029 4.320 0.004 0.000 0.289 389 A C 0.470 178.131 177.584 0.127 0.000 1.095 389 A CA -0.721 51.370 52.037 0.089 0.000 0.836 389 A CB 0.696 19.727 19.000 0.051 0.000 1.111 389 A HN 0.114 nan 8.150 nan 0.000 0.497 390 R N 0.827 121.430 120.500 0.172 0.000 2.265 390 R HA 0.361 4.703 4.340 0.004 0.000 0.314 390 R C 0.683 177.207 176.300 0.373 0.000 1.053 390 R CA 0.218 56.421 56.100 0.171 0.000 0.931 390 R CB 0.344 30.658 30.300 0.024 0.000 1.024 390 R HN 0.830 nan 8.270 nan 0.000 0.457 391 G N 0.644 109.636 108.800 0.319 0.000 2.583 391 G HA2 0.099 4.061 3.960 0.004 0.000 0.275 391 G HA3 0.099 4.061 3.960 0.004 0.000 0.275 391 G C 1.106 176.292 174.900 0.477 0.000 1.342 391 G CA -0.647 44.721 45.100 0.446 0.000 1.030 391 G HN 0.305 nan 8.290 nan 0.000 0.520 392 V N 0.973 121.067 119.914 0.300 0.000 2.527 392 V HA -0.190 3.933 4.120 0.004 0.000 0.255 392 V C 2.177 178.337 176.094 0.109 0.000 1.081 392 V CA 2.537 64.878 62.300 0.069 0.000 1.092 392 V CB -0.651 31.095 31.823 -0.129 0.000 0.673 392 V HN 0.853 nan 8.190 nan 0.000 0.470 393 D N -0.834 119.632 120.400 0.109 0.000 2.342 393 D HA 0.086 4.728 4.640 0.004 0.000 0.221 393 D C 0.746 177.080 176.300 0.056 0.000 1.101 393 D CA -0.269 53.770 54.000 0.065 0.000 0.837 393 D CB -0.415 40.413 40.800 0.047 0.000 0.938 393 D HN 0.375 nan 8.370 nan 0.000 0.508 394 L N -0.579 120.688 121.223 0.074 0.000 3.548 394 L HA -0.209 4.134 4.340 0.004 0.000 0.443 394 L C -0.792 176.102 176.870 0.041 0.000 1.286 394 L CA 0.515 55.353 54.840 -0.004 0.000 0.863 394 L CB -1.520 40.498 42.059 -0.069 0.000 1.734 394 L HN 0.265 nan 8.230 nan 0.000 0.873 395 Q N -0.059 119.785 119.800 0.073 0.000 2.310 395 Q HA 0.432 4.774 4.340 0.004 0.000 0.270 395 Q C -2.307 173.743 176.000 0.083 0.000 1.025 395 Q CA -1.878 53.962 55.803 0.063 0.000 0.772 395 Q CB 2.193 30.960 28.738 0.048 0.000 1.253 395 Q HN -0.096 nan 8.270 nan 0.000 0.450 396 P HA 0.034 nan 4.420 nan 0.000 0.258 396 P C 0.635 177.975 177.300 0.066 0.000 1.187 396 P CA 0.573 63.725 63.100 0.087 0.000 0.767 396 P CB 0.403 32.154 31.700 0.084 0.000 0.770 397 M N 3.246 122.887 119.600 0.069 0.000 2.213 397 M HA -0.149 4.334 4.480 0.004 0.000 0.263 397 M C 1.802 178.131 176.300 0.049 0.000 1.062 397 M CA 1.371 56.707 55.300 0.060 0.000 1.105 397 M CB -0.543 32.077 32.600 0.034 0.000 1.385 397 M HN 0.325 nan 8.290 nan 0.000 0.417 398 I N 1.133 121.707 120.570 0.006 0.000 2.185 398 I HA -0.362 3.811 4.170 0.004 0.000 0.246 398 I C 2.376 178.494 176.117 0.003 0.000 1.088 398 I CA 1.863 63.149 61.300 -0.024 0.000 1.347 398 I CB -0.428 37.557 38.000 -0.024 0.000 1.041 398 I HN 0.359 nan 8.210 nan 0.000 0.415 399 Q N 0.012 119.804 119.800 -0.012 0.000 1.927 399 Q HA -0.242 4.101 4.340 0.004 0.000 0.210 399 Q C 2.223 178.226 176.000 0.006 0.000 1.001 399 Q CA 2.921 58.704 55.803 -0.034 0.000 0.862 399 Q CB -1.564 27.157 28.738 -0.028 0.000 0.934 399 Q HN 0.689 nan 8.270 nan 0.000 0.420 400 T N -0.953 113.628 114.554 0.044 0.000 2.929 400 T HA -0.148 4.205 4.350 0.004 0.000 0.271 400 T C 1.672 176.426 174.700 0.090 0.000 1.085 400 T CA 1.112 63.243 62.100 0.052 0.000 1.125 400 T CB -0.565 68.336 68.868 0.055 0.000 0.874 400 T HN 0.257 nan 8.240 nan 0.000 0.494 401 F N 1.765 121.710 119.950 -0.009 0.000 2.102 401 F HA 0.098 4.627 4.527 0.004 0.000 0.298 401 F C 1.952 177.814 175.800 0.103 0.000 1.105 401 F CA 1.135 59.161 58.000 0.044 0.000 1.239 401 F CB -0.215 38.795 39.000 0.018 0.000 0.991 401 F HN 0.059 nan 8.300 nan 0.000 0.474 402 L N -0.220 121.014 121.223 0.018 0.000 2.072 402 L HA -0.115 4.227 4.340 0.004 0.000 0.205 402 L C 2.676 179.509 176.870 -0.062 0.000 1.079 402 L CA 0.985 55.752 54.840 -0.121 0.000 0.752 402 L CB -0.718 41.148 42.059 -0.322 0.000 0.906 402 L HN 0.040 nan 8.230 nan 0.000 0.436 403 R N 0.072 120.540 120.500 -0.053 0.000 2.139 403 R HA -0.177 4.166 4.340 0.004 0.000 0.243 403 R C 2.252 178.552 176.300 -0.000 0.000 1.145 403 R CA 2.108 58.198 56.100 -0.016 0.000 0.976 403 R CB -0.218 30.072 30.300 -0.017 0.000 0.866 403 R HN 0.525 nan 8.270 nan 0.000 0.449 404 T N -2.997 111.524 114.554 -0.056 0.000 2.978 404 T HA -0.022 4.330 4.350 0.004 0.000 0.262 404 T C 1.694 176.308 174.700 -0.142 0.000 1.063 404 T CA 0.569 62.602 62.100 -0.112 0.000 1.140 404 T CB -0.236 68.526 68.868 -0.177 0.000 0.886 404 T HN 0.273 nan 8.240 nan 0.000 0.470 405 H N -0.293 118.721 119.070 -0.093 0.000 2.470 405 H HA 0.119 4.678 4.556 0.004 0.000 0.289 405 H C 0.526 175.926 175.328 0.119 0.000 1.033 405 H CA 0.928 56.966 56.048 -0.016 0.000 1.331 405 H CB 0.080 29.805 29.762 -0.061 0.000 1.414 405 H HN 0.417 nan 8.280 nan 0.000 0.545 406 Y N -0.131 120.198 120.300 0.048 0.000 2.607 406 Y HA 0.242 4.794 4.550 0.004 0.000 0.266 406 Y C 1.813 177.726 175.900 0.022 0.000 1.178 406 Y CA 0.153 58.284 58.100 0.052 0.000 1.226 406 Y CB 0.546 39.044 38.460 0.063 0.000 1.144 406 Y HN 0.301 nan 8.280 nan 0.000 0.528 407 G N 0.710 109.575 108.800 0.109 0.000 5.266 407 G HA2 -0.357 3.605 3.960 0.004 0.000 0.262 407 G HA3 -0.357 3.605 3.960 0.004 0.000 0.262 407 G C 0.653 175.583 174.900 0.051 0.000 1.359 407 G CA 0.680 45.811 45.100 0.052 0.000 0.955 407 G HN 0.454 nan 8.290 nan 0.000 0.754 408 E N 1.286 121.529 120.200 0.072 0.000 2.267 408 E HA 0.713 5.065 4.350 0.004 0.000 0.258 408 E C 0.493 177.124 176.600 0.052 0.000 1.074 408 E CA -0.437 55.994 56.400 0.053 0.000 0.915 408 E CB 1.323 31.057 29.700 0.056 0.000 1.186 408 E HN 1.296 nan 8.360 nan 0.000 0.439 409 A N 0.912 123.750 122.820 0.029 0.000 2.520 409 A HA 0.260 4.582 4.320 0.004 0.000 0.235 409 A C -0.367 177.231 177.584 0.023 0.000 1.065 409 A CA -0.260 51.785 52.037 0.014 0.000 0.764 409 A CB -0.258 18.744 19.000 0.004 0.000 1.002 409 A HN 0.405 nan 8.150 nan 0.000 0.502 410 L N 3.452 124.671 121.223 -0.006 0.000 2.272 410 L HA 0.299 4.642 4.340 0.004 0.000 0.289 410 L C 0.538 177.409 176.870 0.001 0.000 1.032 410 L CA -0.566 54.272 54.840 -0.002 0.000 0.810 410 L CB 0.966 42.975 42.059 -0.083 0.000 1.205 410 L HN 0.787 nan 8.230 nan 0.000 0.422 411 D N 0.799 121.219 120.400 0.032 0.000 2.360 411 D HA -0.022 4.620 4.640 0.004 0.000 0.242 411 D C 0.323 176.632 176.300 0.014 0.000 1.184 411 D CA -0.312 53.702 54.000 0.023 0.000 0.930 411 D CB 0.893 41.718 40.800 0.041 0.000 1.161 411 D HN 0.486 nan 8.370 nan 0.000 0.447 412 D N 0.219 120.616 120.400 -0.005 0.000 2.192 412 D HA -0.223 4.420 4.640 0.004 0.000 0.189 412 D C 1.455 177.738 176.300 -0.028 0.000 1.007 412 D CA 1.582 55.567 54.000 -0.024 0.000 0.859 412 D CB -0.206 40.575 40.800 -0.033 0.000 0.936 412 D HN 0.416 nan 8.370 nan 0.000 0.447 413 N N -0.039 118.644 118.700 -0.027 0.000 2.309 413 N HA -0.047 4.695 4.740 0.004 0.000 0.182 413 N C 1.599 177.109 175.510 0.000 0.000 1.018 413 N CA 1.019 54.004 53.050 -0.109 0.000 0.876 413 N CB -0.393 38.020 38.487 -0.124 0.000 0.972 413 N HN 0.192 nan 8.380 nan 0.000 0.434 414 A N 1.571 124.500 122.820 0.182 0.000 1.865 414 A HA -0.104 4.218 4.320 0.004 0.000 0.217 414 A C 2.319 180.047 177.584 0.240 0.000 1.191 414 A CA 1.065 53.286 52.037 0.307 0.000 0.623 414 A CB -0.877 18.229 19.000 0.178 0.000 0.826 414 A HN 0.220 nan 8.150 nan 0.000 0.444 415 L N -0.855 120.427 121.223 0.098 0.000 2.042 415 L HA -0.206 4.137 4.340 0.004 0.000 0.210 415 L C 2.609 179.594 176.870 0.191 0.000 1.076 415 L CA 1.207 56.101 54.840 0.090 0.000 0.749 415 L CB -0.587 41.461 42.059 -0.018 0.000 0.893 415 L HN 0.387 nan 8.230 nan 0.000 0.432 416 L N -2.051 119.228 121.223 0.092 0.000 2.093 416 L HA -0.226 4.116 4.340 0.004 0.000 0.208 416 L C 2.578 179.560 176.870 0.185 0.000 1.085 416 L CA 1.123 56.023 54.840 0.101 0.000 0.755 416 L CB -0.625 41.392 42.059 -0.070 0.000 0.904 416 L HN 0.107 nan 8.230 nan 0.000 0.435 417 Y N -0.979 119.441 120.300 0.200 0.000 2.049 417 Y HA -0.331 4.222 4.550 0.004 0.000 0.277 417 Y C 2.378 178.413 175.900 0.224 0.000 1.143 417 Y CA 1.714 59.923 58.100 0.183 0.000 1.115 417 Y CB -1.130 37.439 38.460 0.182 0.000 0.975 417 Y HN 0.158 nan 8.280 nan 0.000 0.487 418 W N -0.056 121.420 121.300 0.293 0.000 2.298 418 W HA -0.380 4.283 4.660 0.004 0.000 0.328 418 W C 2.585 179.235 176.519 0.218 0.000 1.259 418 W CA 2.587 60.062 57.345 0.217 0.000 1.251 418 W CB -1.160 28.368 29.460 0.113 0.000 1.161 418 W HN 0.146 nan 8.180 nan 0.000 0.466 419 F N 1.095 121.337 119.950 0.487 0.000 2.176 419 F HA -0.362 4.167 4.527 0.004 0.000 0.301 419 F C 2.134 178.003 175.800 0.115 0.000 1.071 419 F CA 2.441 60.615 58.000 0.290 0.000 1.289 419 F CB -0.490 38.601 39.000 0.153 0.000 1.028 419 F HN -0.071 nan 8.300 nan 0.000 0.494 420 D N -0.334 120.033 120.400 -0.055 0.000 2.289 420 D HA -0.118 4.524 4.640 0.004 0.000 0.207 420 D C 1.573 177.763 176.300 -0.185 0.000 0.966 420 D CA 0.780 54.668 54.000 -0.187 0.000 0.868 420 D CB -0.158 40.669 40.800 0.046 0.000 0.943 420 D HN 0.382 nan 8.370 nan 0.000 0.514 421 D N -0.620 119.687 120.400 -0.155 0.000 2.162 421 D HA -0.113 4.530 4.640 0.004 0.000 0.205 421 D C 1.749 177.895 176.300 -0.257 0.000 0.964 421 D CA 0.285 54.179 54.000 -0.177 0.000 0.847 421 D CB -0.201 40.510 40.800 -0.150 0.000 0.988 421 D HN 0.267 nan 8.370 nan 0.000 0.480 422 Y N 2.103 122.094 120.300 -0.515 0.000 1.967 422 Y HA -0.410 4.142 4.550 0.004 0.000 0.260 422 Y C 2.597 178.277 175.900 -0.366 0.000 1.181 422 Y CA 3.063 60.871 58.100 -0.486 0.000 1.097 422 Y CB -0.141 37.983 38.460 -0.560 0.000 0.934 422 Y HN 0.000 nan 8.280 nan 0.000 0.492 423 Q N -1.107 118.415 119.800 -0.462 0.000 2.224 423 Q HA -0.097 4.246 4.340 0.004 0.000 0.203 423 Q C 1.719 177.500 176.000 -0.365 0.000 0.970 423 Q CA 1.929 57.435 55.803 -0.495 0.000 0.865 423 Q CB -1.052 27.328 28.738 -0.597 0.000 0.922 423 Q HN 0.349 nan 8.270 nan 0.000 0.445 424 T N 1.131 115.509 114.554 -0.294 0.000 2.699 424 T HA -0.184 4.169 4.350 0.004 0.000 0.268 424 T C 1.528 176.102 174.700 -0.209 0.000 1.036 424 T CA 1.973 63.957 62.100 -0.193 0.000 1.147 424 T CB -0.181 68.602 68.868 -0.142 0.000 0.862 424 T HN 0.443 nan 8.240 nan 0.000 0.446 425 R N -0.079 120.248 120.500 -0.289 0.000 2.280 425 R HA 0.311 4.654 4.340 0.004 0.000 0.195 425 R C 2.058 178.170 176.300 -0.314 0.000 0.935 425 R CA 0.076 56.018 56.100 -0.263 0.000 1.033 425 R CB -0.106 30.039 30.300 -0.259 0.000 0.964 425 R HN 0.241 nan 8.270 nan 0.000 0.489 426 L N 0.126 121.090 121.223 -0.432 0.000 2.221 426 L HA 0.102 4.445 4.340 0.004 0.000 0.202 426 L C 1.646 178.353 176.870 -0.272 0.000 1.074 426 L CA 1.357 55.947 54.840 -0.417 0.000 0.795 426 L CB 0.024 41.702 42.059 -0.635 0.000 0.960 426 L HN 0.054 nan 8.230 nan 0.000 0.458 427 L N -0.745 120.343 121.223 -0.226 0.000 2.044 427 L HA -0.089 4.253 4.340 0.004 0.000 0.205 427 L C 2.776 179.631 176.870 -0.025 0.000 1.075 427 L CA 1.067 55.844 54.840 -0.104 0.000 0.747 427 L CB -0.549 41.484 42.059 -0.043 0.000 0.903 427 L HN 0.189 nan 8.230 nan 0.000 0.435 428 R N -0.087 120.390 120.500 -0.038 0.000 2.096 428 R HA -0.177 4.166 4.340 0.004 0.000 0.240 428 R C -0.285 176.032 176.300 0.029 0.000 1.139 428 R CA 1.932 58.036 56.100 0.007 0.000 0.952 428 R CB -1.459 28.832 30.300 -0.015 0.000 0.854 428 R HN 0.363 nan 8.270 nan 0.000 0.436 429 P HA -0.062 nan 4.420 nan 0.000 0.215 429 P C 1.485 178.816 177.300 0.051 0.000 1.157 429 P CA 0.929 64.043 63.100 0.023 0.000 0.859 429 P CB -0.035 31.660 31.700 -0.008 0.000 0.786 430 V N -0.041 119.886 119.914 0.022 0.000 2.287 430 V HA -0.234 3.888 4.120 0.004 0.000 0.248 430 V C 2.568 178.730 176.094 0.112 0.000 1.053 430 V CA 1.763 64.086 62.300 0.038 0.000 1.027 430 V CB -1.278 30.522 31.823 -0.038 0.000 0.646 430 V HN 0.042 nan 8.190 nan 0.000 0.447 431 L N -0.369 120.949 121.223 0.158 0.000 2.072 431 L HA -0.094 4.248 4.340 0.004 0.000 0.205 431 L C 2.653 179.703 176.870 0.300 0.000 1.079 431 L CA 1.478 56.494 54.840 0.292 0.000 0.752 431 L CB -0.662 41.636 42.059 0.400 0.000 0.906 431 L HN 0.336 nan 8.230 nan 0.000 0.436 432 S N 0.580 116.410 115.700 0.216 0.000 2.365 432 S HA -0.214 4.259 4.470 0.004 0.000 0.225 432 S C 1.997 176.688 174.600 0.150 0.000 1.039 432 S CA 1.368 59.671 58.200 0.171 0.000 1.033 432 S CB -0.512 62.762 63.200 0.123 0.000 0.887 432 S HN 0.265 nan 8.310 nan 0.000 0.447 433 L N -0.157 121.157 121.223 0.151 0.000 2.013 433 L HA -0.156 4.186 4.340 0.004 0.000 0.212 433 L C 2.254 179.194 176.870 0.116 0.000 1.073 433 L CA 1.660 56.585 54.840 0.142 0.000 0.753 433 L CB -0.442 41.675 42.059 0.096 0.000 0.890 433 L HN 0.263 nan 8.230 nan 0.000 0.432 434 F N -0.240 119.665 119.950 -0.074 0.000 2.039 434 F HA -0.264 4.265 4.527 0.004 0.000 0.294 434 F C 2.136 177.772 175.800 -0.274 0.000 1.130 434 F CA 1.650 59.514 58.000 -0.226 0.000 1.189 434 F CB -0.182 38.588 39.000 -0.382 0.000 0.983 434 F HN -0.119 nan 8.300 nan 0.000 0.471 435 F N 0.443 120.419 119.950 0.043 0.000 2.293 435 F HA -0.076 4.453 4.527 0.004 0.000 0.297 435 F C 2.020 177.710 175.800 -0.183 0.000 1.089 435 F CA 0.828 58.756 58.000 -0.119 0.000 1.377 435 F CB -1.134 37.866 39.000 -0.001 0.000 1.051 435 F HN -0.004 nan 8.300 nan 0.000 0.511 436 N N -1.365 117.293 118.700 -0.071 0.000 2.354 436 N HA -0.078 4.664 4.740 0.004 0.000 0.179 436 N C 1.177 176.319 175.510 -0.614 0.000 1.021 436 N CA 1.128 53.954 53.050 -0.375 0.000 0.887 436 N CB -0.190 37.972 38.487 -0.543 0.000 0.974 436 N HN 0.326 nan 8.380 nan 0.000 0.437 437 H N -2.855 116.193 119.070 -0.036 0.000 3.680 437 H HA 0.284 4.843 4.556 0.004 0.000 0.260 437 H C 0.898 176.224 175.328 -0.003 0.000 1.183 437 H CA 0.561 56.614 56.048 0.009 0.000 1.159 437 H CB 0.643 30.320 29.762 -0.141 0.000 1.567 437 H HN 0.145 nan 8.280 nan 0.000 0.648 438 G N 1.916 110.662 108.800 -0.090 0.000 2.168 438 G HA2 -0.301 3.661 3.960 0.004 0.000 0.257 438 G HA3 -0.301 3.661 3.960 0.004 0.000 0.257 438 G C 0.286 175.161 174.900 -0.041 0.000 0.997 438 G CA 0.575 45.557 45.100 -0.196 0.000 0.708 438 G HN 0.209 nan 8.290 nan 0.000 0.520 439 V N 0.971 120.881 119.914 -0.007 0.000 2.405 439 V HA 0.368 4.491 4.120 0.004 0.000 0.264 439 V C 0.883 177.063 176.094 0.143 0.000 1.048 439 V CA -0.488 61.808 62.300 -0.006 0.000 0.966 439 V CB 1.458 33.170 31.823 -0.185 0.000 1.015 439 V HN 0.225 nan 8.190 nan 0.000 0.477 440 V N 7.032 127.054 119.914 0.180 0.000 2.368 440 V HA 0.329 4.451 4.120 0.004 0.000 0.266 440 V C 0.490 176.653 176.094 0.116 0.000 1.045 440 V CA -0.253 62.186 62.300 0.232 0.000 0.899 440 V CB 1.062 33.048 31.823 0.271 0.000 1.006 440 V HN 0.716 nan 8.190 nan 0.000 0.470 441 M N 3.342 123.006 119.600 0.107 0.000 2.369 441 M HA 0.425 4.907 4.480 0.004 0.000 0.291 441 M C 0.404 176.729 176.300 0.041 0.000 1.178 441 M CA -0.125 55.219 55.300 0.072 0.000 0.996 441 M CB 1.102 33.740 32.600 0.063 0.000 1.472 441 M HN 0.683 nan 8.290 nan 0.000 0.496 442 E N 2.803 123.011 120.200 0.014 0.000 3.303 442 E HA 0.265 4.617 4.350 0.004 0.000 0.215 442 E C -2.188 174.334 176.600 -0.131 0.000 1.181 442 E CA -1.539 54.871 56.400 0.016 0.000 0.998 442 E CB 0.703 30.448 29.700 0.076 0.000 1.312 442 E HN 0.208 nan 8.360 nan 0.000 0.412 443 P HA 0.071 nan 4.420 nan 0.000 0.226 443 P C -0.511 176.785 177.300 -0.008 0.000 1.758 443 P CA -0.162 62.873 63.100 -0.108 0.000 0.896 443 P CB -0.654 30.986 31.700 -0.099 0.000 1.784 444 H N -1.562 117.564 119.070 0.095 0.000 2.309 444 H HA 0.191 4.749 4.556 0.004 0.000 0.341 444 H C 1.608 176.984 175.328 0.080 0.000 1.677 444 H CA -0.744 55.357 56.048 0.088 0.000 1.440 444 H CB -0.208 29.580 29.762 0.043 0.000 1.693 444 H HN -0.180 nan 8.280 nan 0.000 0.608 445 L N -1.381 119.954 121.223 0.187 0.000 2.131 445 L HA -0.141 4.201 4.340 0.004 0.000 0.210 445 L C 2.513 179.406 176.870 0.038 0.000 1.092 445 L CA 1.439 56.245 54.840 -0.057 0.000 0.759 445 L CB -0.404 41.580 42.059 -0.125 0.000 0.903 445 L HN 0.730 nan 8.230 nan 0.000 0.435 446 Q N 0.195 120.141 119.800 0.243 0.000 2.302 446 Q HA -0.079 4.263 4.340 0.004 0.000 0.202 446 Q C 1.035 177.062 176.000 0.045 0.000 0.936 446 Q CA 0.798 56.688 55.803 0.145 0.000 0.886 446 Q CB 0.201 29.061 28.738 0.203 0.000 0.986 446 Q HN 0.387 nan 8.270 nan 0.000 0.487 447 N N 0.256 118.883 118.700 -0.122 0.000 2.421 447 N HA 0.075 4.817 4.740 0.004 0.000 0.201 447 N C -0.998 174.432 175.510 -0.134 0.000 1.198 447 N CA 0.118 53.034 53.050 -0.224 0.000 0.838 447 N CB 0.548 38.734 38.487 -0.501 0.000 1.011 447 N HN -0.077 nan 8.380 nan 0.000 0.463 448 S N -0.667 114.997 115.700 -0.059 0.000 2.548 448 S HA 0.550 5.022 4.470 0.004 0.000 0.276 448 S C -0.938 173.649 174.600 -0.021 0.000 1.129 448 S CA -0.598 57.591 58.200 -0.018 0.000 0.931 448 S CB 2.342 65.630 63.200 0.146 0.000 1.068 448 S HN -0.227 nan 8.310 nan 0.000 0.480 449 V N 3.625 123.490 119.914 -0.080 0.000 2.638 449 V HA 0.489 4.611 4.120 0.004 0.000 0.306 449 V C -0.755 175.313 176.094 -0.043 0.000 1.052 449 V CA -0.742 61.516 62.300 -0.069 0.000 0.885 449 V CB 1.793 33.495 31.823 -0.202 0.000 0.999 449 V HN 0.763 nan 8.190 nan 0.000 0.424 450 L N 6.472 127.715 121.223 0.033 0.000 2.305 450 L HA 0.593 4.935 4.340 0.004 0.000 0.281 450 L C -0.357 176.577 176.870 0.108 0.000 1.085 450 L CA 0.455 55.352 54.840 0.095 0.000 0.813 450 L CB 1.412 43.556 42.059 0.142 0.000 1.157 450 L HN 0.457 nan 8.230 nan 0.000 0.436 451 V N 5.344 125.318 119.914 0.099 0.000 2.435 451 V HA 0.460 4.583 4.120 0.004 0.000 0.290 451 V C -0.641 175.577 176.094 0.206 0.000 1.030 451 V CA -0.536 61.846 62.300 0.135 0.000 0.881 451 V CB 1.234 33.086 31.823 0.047 0.000 0.983 451 V HN 0.994 nan 8.190 nan 0.000 0.445 452 H N 2.246 121.364 119.070 0.080 0.000 2.667 452 H HA 0.680 5.238 4.556 0.004 0.000 0.353 452 H C -0.682 174.686 175.328 0.067 0.000 1.072 452 H CA -1.007 55.099 56.048 0.095 0.000 1.214 452 H CB 1.597 31.466 29.762 0.178 0.000 1.600 452 H HN 0.396 nan 8.280 nan 0.000 0.527 453 Q N 3.614 123.395 119.800 -0.031 0.000 2.472 453 Q HA 0.098 4.440 4.340 0.004 0.000 0.227 453 Q C -0.632 175.327 176.000 -0.068 0.000 1.156 453 Q CA -0.048 55.697 55.803 -0.096 0.000 0.924 453 Q CB 0.052 28.767 28.738 -0.037 0.000 1.354 453 Q HN 0.801 nan 8.270 nan 0.000 0.525 454 Q N 1.320 120.997 119.800 -0.206 0.000 2.439 454 Q HA -0.306 4.036 4.340 0.004 0.000 0.361 454 Q C 0.637 176.582 176.000 -0.093 0.000 1.408 454 Q CA 0.839 56.574 55.803 -0.113 0.000 1.052 454 Q CB -2.151 26.641 28.738 0.091 0.000 1.233 454 Q HN 0.918 nan 8.270 nan 0.000 0.347 455 G N 0.331 109.216 108.800 0.142 0.000 2.454 455 G HA2 -0.389 3.574 3.960 0.004 0.000 0.225 455 G HA3 -0.389 3.574 3.960 0.004 0.000 0.225 455 G C 0.202 175.499 174.900 0.661 0.000 1.138 455 G CA 0.050 45.390 45.100 0.401 0.000 0.667 455 G HN 0.566 nan 8.290 nan 0.000 0.512 456 R N 2.492 123.228 120.500 0.393 0.000 2.343 456 R HA 0.473 4.816 4.340 0.004 0.000 0.326 456 R C -2.428 173.969 176.300 0.162 0.000 1.055 456 R CA -1.414 54.836 56.100 0.250 0.000 0.961 456 R CB 0.388 30.755 30.300 0.113 0.000 0.978 456 R HN 0.262 nan 8.270 nan 0.000 0.443 457 P HA -0.028 nan 4.420 nan 0.000 0.267 457 P C -0.193 177.102 177.300 -0.007 0.000 1.209 457 P CA 0.093 63.196 63.100 0.004 0.000 0.763 457 P CB 1.026 32.607 31.700 -0.199 0.000 0.816 458 Q N 2.002 121.818 119.800 0.026 0.000 2.389 458 Q HA 0.100 4.443 4.340 0.004 0.000 0.201 458 Q C 0.362 176.339 176.000 -0.038 0.000 0.956 458 Q CA 1.236 57.035 55.803 -0.007 0.000 0.871 458 Q CB 0.181 28.923 28.738 0.007 0.000 0.990 458 Q HN 0.612 nan 8.270 nan 0.000 0.554 459 Q N 0.112 119.892 119.800 -0.033 0.000 2.423 459 Q HA 0.607 4.949 4.340 0.004 0.000 0.278 459 Q C -1.077 174.871 176.000 -0.088 0.000 1.097 459 Q CA -0.660 55.101 55.803 -0.070 0.000 0.809 459 Q CB 2.892 31.593 28.738 -0.062 0.000 1.391 459 Q HN -0.153 nan 8.270 nan 0.000 0.428 460 V N 2.432 122.262 119.914 -0.141 0.000 2.257 460 V HA 0.216 4.338 4.120 0.004 0.000 0.269 460 V C -0.227 175.779 176.094 -0.147 0.000 1.040 460 V CA -0.512 61.698 62.300 -0.149 0.000 0.813 460 V CB 0.686 32.345 31.823 -0.272 0.000 1.065 460 V HN 0.651 nan 8.190 nan 0.000 0.457 461 L N 5.944 127.061 121.223 -0.176 0.000 2.455 461 L HA 0.364 4.706 4.340 0.004 0.000 0.272 461 L C -0.501 176.233 176.870 -0.227 0.000 1.174 461 L CA 0.432 55.121 54.840 -0.251 0.000 0.869 461 L CB 0.440 42.213 42.059 -0.477 0.000 1.130 461 L HN 0.478 nan 8.230 nan 0.000 0.474 462 L N 5.519 126.636 121.223 -0.178 0.000 2.319 462 L HA 0.751 5.093 4.340 0.004 0.000 0.267 462 L C -0.307 176.479 176.870 -0.140 0.000 1.011 462 L CA -0.895 53.864 54.840 -0.135 0.000 0.818 462 L CB 1.909 43.924 42.059 -0.074 0.000 1.316 462 L HN 0.717 nan 8.230 nan 0.000 0.432 463 R N -0.343 120.084 120.500 -0.121 0.000 2.756 463 R HA 0.606 4.949 4.340 0.004 0.000 0.273 463 R C -1.874 174.374 176.300 -0.086 0.000 1.030 463 R CA -0.933 55.086 56.100 -0.136 0.000 0.887 463 R CB 1.235 31.424 30.300 -0.185 0.000 1.274 463 R HN 0.476 nan 8.270 nan 0.000 0.461 464 D N -0.306 120.002 120.400 -0.153 0.000 3.862 464 D HA -0.096 4.546 4.640 0.004 0.000 0.224 464 D C -0.837 175.574 176.300 0.187 0.000 1.152 464 D CA 0.106 54.069 54.000 -0.062 0.000 0.894 464 D CB -0.519 40.260 40.800 -0.035 0.000 0.624 464 D HN 0.472 nan 8.370 nan 0.000 0.287 465 F N 1.999 121.886 119.950 -0.106 0.000 2.615 465 F HA 0.124 4.653 4.527 0.004 0.000 0.297 465 F C 2.362 178.137 175.800 -0.041 0.000 1.124 465 F CA 0.868 58.811 58.000 -0.096 0.000 1.451 465 F CB -0.532 38.406 39.000 -0.103 0.000 1.103 465 F HN 0.550 nan 8.300 nan 0.000 0.569 466 E N 0.745 121.032 120.200 0.144 0.000 2.065 466 E HA -0.212 4.140 4.350 0.004 0.000 0.201 466 E C 2.548 179.191 176.600 0.072 0.000 1.016 466 E CA 1.810 58.262 56.400 0.087 0.000 0.818 466 E CB -0.593 29.146 29.700 0.066 0.000 0.749 466 E HN 0.337 nan 8.360 nan 0.000 0.453 467 G N 0.439 109.287 108.800 0.081 0.000 2.471 467 G HA2 -0.103 3.859 3.960 0.004 0.000 0.219 467 G HA3 -0.103 3.859 3.960 0.004 0.000 0.219 467 G C 0.577 175.481 174.900 0.006 0.000 1.125 467 G CA 0.347 45.486 45.100 0.063 0.000 0.775 467 G HN 0.181 nan 8.290 nan 0.000 0.548 468 V N 1.908 121.835 119.914 0.021 0.000 2.521 468 V HA 0.257 4.380 4.120 0.004 0.000 0.286 468 V C -0.008 176.030 176.094 -0.093 0.000 1.034 468 V CA 0.077 62.371 62.300 -0.010 0.000 1.045 468 V CB 1.101 32.926 31.823 0.004 0.000 0.974 468 V HN 0.167 nan 8.190 nan 0.000 0.480 469 K N 5.379 125.679 120.400 -0.168 0.000 2.346 469 K HA 0.747 5.069 4.320 0.004 0.000 0.238 469 K C -1.143 175.407 176.600 -0.082 0.000 1.039 469 K CA -0.810 55.318 56.287 -0.266 0.000 0.861 469 K CB 2.587 34.581 32.500 -0.842 0.000 1.278 469 K HN 0.389 nan 8.250 nan 0.000 0.460 470 L N 0.798 122.007 121.223 -0.024 0.000 2.408 470 L HA 0.357 4.699 4.340 0.004 0.000 0.268 470 L C 0.072 177.002 176.870 0.100 0.000 0.986 470 L CA -0.998 53.869 54.840 0.046 0.000 0.820 470 L CB 2.176 44.256 42.059 0.035 0.000 1.303 470 L HN 0.704 nan 8.230 nan 0.000 0.411 471 T N -3.296 111.314 114.554 0.092 0.000 2.913 471 T HA 0.075 4.427 4.350 0.004 0.000 0.297 471 T C 0.786 175.516 174.700 0.050 0.000 1.029 471 T CA -0.635 61.522 62.100 0.094 0.000 1.104 471 T CB 1.045 69.913 68.868 -0.001 0.000 0.964 471 T HN 0.710 nan 8.240 nan 0.000 0.532 472 D N 1.234 121.669 120.400 0.059 0.000 2.219 472 D HA -0.178 4.464 4.640 0.004 0.000 0.205 472 D C 1.258 177.559 176.300 0.001 0.000 0.970 472 D CA 1.076 55.096 54.000 0.033 0.000 0.851 472 D CB -0.266 40.558 40.800 0.040 0.000 0.943 472 D HN 0.765 nan 8.370 nan 0.000 0.488 473 D N -0.766 119.626 120.400 -0.012 0.000 2.354 473 D HA 0.011 4.654 4.640 0.004 0.000 0.209 473 D C 1.553 177.818 176.300 -0.058 0.000 1.015 473 D CA 0.009 53.989 54.000 -0.034 0.000 0.867 473 D CB 0.224 41.004 40.800 -0.033 0.000 0.933 473 D HN 0.325 nan 8.370 nan 0.000 0.520 474 L N -0.575 120.611 121.223 -0.061 0.000 2.884 474 L HA 0.333 4.676 4.340 0.004 0.000 0.155 474 L C 2.169 179.015 176.870 -0.041 0.000 1.296 474 L CA 1.089 55.882 54.840 -0.079 0.000 0.946 474 L CB -0.524 41.472 42.059 -0.105 0.000 1.862 474 L HN -0.020 nan 8.230 nan 0.000 0.529 475 G N 0.669 109.477 108.800 0.014 0.000 2.505 475 G HA2 -0.320 3.642 3.960 0.004 0.000 0.220 475 G HA3 -0.320 3.642 3.960 0.004 0.000 0.220 475 G C 1.476 176.454 174.900 0.131 0.000 1.145 475 G CA 1.441 46.612 45.100 0.119 0.000 0.761 475 G HN 0.361 nan 8.290 nan 0.000 0.571 476 I N 1.809 122.405 120.570 0.043 0.000 2.423 476 I HA -0.162 4.011 4.170 0.004 0.000 0.254 476 I C 2.728 178.838 176.117 -0.011 0.000 1.151 476 I CA 0.847 62.163 61.300 0.027 0.000 1.421 476 I CB -0.177 37.830 38.000 0.012 0.000 1.079 476 I HN 0.247 nan 8.210 nan 0.000 0.431 477 R N -0.768 119.666 120.500 -0.109 0.000 2.328 477 R HA -0.158 4.184 4.340 0.004 0.000 0.207 477 R C 1.091 177.225 176.300 -0.276 0.000 1.056 477 R CA 1.029 56.995 56.100 -0.223 0.000 1.016 477 R CB -0.950 29.212 30.300 -0.231 0.000 0.872 477 R HN 0.409 nan 8.270 nan 0.000 0.471 478 Y N 0.961 121.227 120.300 -0.056 0.000 2.471 478 Y HA 0.258 4.810 4.550 0.004 0.000 0.286 478 Y C 0.766 176.639 175.900 -0.044 0.000 1.188 478 Y CA -0.381 57.679 58.100 -0.066 0.000 1.286 478 Y CB 0.116 38.506 38.460 -0.117 0.000 1.072 478 Y HN -0.086 nan 8.280 nan 0.000 0.517 479 I N 2.063 122.679 120.570 0.078 0.000 2.322 479 I HA 0.005 4.177 4.170 0.004 0.000 0.292 479 I C -0.359 175.781 176.117 0.039 0.000 1.060 479 I CA -0.171 61.163 61.300 0.056 0.000 1.309 479 I CB 0.345 38.370 38.000 0.042 0.000 1.415 479 I HN 0.102 nan 8.210 nan 0.000 0.492 480 D N 6.966 127.395 120.400 0.048 0.000 2.359 480 D HA -0.021 4.621 4.640 0.004 0.000 0.250 480 D C 0.835 177.159 176.300 0.040 0.000 1.264 480 D CA -0.029 53.995 54.000 0.041 0.000 0.911 480 D CB 0.808 41.636 40.800 0.047 0.000 1.056 480 D HN 0.593 nan 8.370 nan 0.000 0.499 481 D N 0.872 121.289 120.400 0.029 0.000 2.190 481 D HA -0.234 4.408 4.640 0.004 0.000 0.200 481 D C 0.352 176.675 176.300 0.038 0.000 0.992 481 D CA 0.766 54.784 54.000 0.029 0.000 0.854 481 D CB -0.175 40.634 40.800 0.016 0.000 0.936 481 D HN 0.198 nan 8.370 nan 0.000 0.462 482 D N 0.539 120.965 120.400 0.043 0.000 2.750 482 D HA -0.005 4.638 4.640 0.004 0.000 0.225 482 D C -0.169 176.180 176.300 0.080 0.000 1.067 482 D CA 0.386 54.419 54.000 0.054 0.000 1.223 482 D CB -0.134 40.693 40.800 0.044 0.000 1.143 482 D HN 0.265 nan 8.370 nan 0.000 0.460 483 I N 1.055 121.675 120.570 0.084 0.000 2.474 483 I HA 0.055 4.227 4.170 0.004 0.000 0.294 483 I C 0.556 176.765 176.117 0.153 0.000 1.005 483 I CA -0.996 60.377 61.300 0.121 0.000 1.113 483 I CB 1.575 39.630 38.000 0.092 0.000 1.289 483 I HN 0.184 nan 8.210 nan 0.000 0.436 484 H N 8.316 127.471 119.070 0.142 0.000 3.034 484 H HA 0.070 4.629 4.556 0.004 0.000 0.324 484 H C -1.567 173.839 175.328 0.131 0.000 1.015 484 H CA -0.706 55.456 56.048 0.190 0.000 1.429 484 H CB 1.352 31.337 29.762 0.373 0.000 1.429 484 H HN 0.301 nan 8.280 nan 0.000 0.585 485 P HA -0.189 nan 4.420 nan 0.000 0.217 485 P C 1.494 178.895 177.300 0.170 0.000 1.148 485 P CA 1.206 64.334 63.100 0.046 0.000 0.828 485 P CB 0.325 31.991 31.700 -0.056 0.000 0.783 486 R N 0.260 121.047 120.500 0.478 0.000 2.090 486 R HA -0.024 4.319 4.340 0.004 0.000 0.228 486 R C 2.138 178.372 176.300 -0.110 0.000 1.110 486 R CA 1.145 57.383 56.100 0.231 0.000 0.973 486 R CB -1.446 29.103 30.300 0.415 0.000 0.869 486 R HN -0.023 nan 8.270 nan 0.000 0.440 487 V N 0.806 120.709 119.914 -0.018 0.000 2.270 487 V HA -0.172 3.951 4.120 0.004 0.000 0.245 487 V C 2.497 178.545 176.094 -0.077 0.000 1.043 487 V CA 2.107 64.325 62.300 -0.138 0.000 1.014 487 V CB -0.563 31.243 31.823 -0.028 0.000 0.645 487 V HN 0.409 nan 8.190 nan 0.000 0.447 488 R N -0.040 120.464 120.500 0.006 0.000 2.133 488 R HA -0.276 4.066 4.340 0.004 0.000 0.247 488 R C 2.347 178.636 176.300 -0.019 0.000 1.151 488 R CA 2.303 58.407 56.100 0.007 0.000 0.971 488 R CB -0.382 29.936 30.300 0.030 0.000 0.866 488 R HN 0.620 nan 8.270 nan 0.000 0.447 489 Q N 0.163 119.936 119.800 -0.044 0.000 2.224 489 Q HA -0.133 4.209 4.340 0.004 0.000 0.203 489 Q C 1.845 177.789 176.000 -0.093 0.000 0.970 489 Q CA 1.801 57.569 55.803 -0.057 0.000 0.865 489 Q CB 0.018 28.716 28.738 -0.066 0.000 0.922 489 Q HN 0.513 nan 8.270 nan 0.000 0.445 490 S N -0.624 114.965 115.700 -0.185 0.000 2.461 490 S HA -0.010 4.462 4.470 0.004 0.000 0.228 490 S C 1.767 176.321 174.600 -0.077 0.000 1.005 490 S CA 0.322 58.417 58.200 -0.175 0.000 0.942 490 S CB -0.109 62.934 63.200 -0.262 0.000 0.776 490 S HN 0.434 nan 8.310 nan 0.000 0.514 491 L N 0.307 121.494 121.223 -0.059 0.000 2.446 491 L HA 0.382 4.725 4.340 0.004 0.000 0.219 491 L C 0.370 177.229 176.870 -0.018 0.000 1.116 491 L CA -0.094 54.715 54.840 -0.052 0.000 0.844 491 L CB -0.014 42.030 42.059 -0.025 0.000 0.970 491 L HN 0.291 nan 8.230 nan 0.000 0.457 492 L N 0.590 121.840 121.223 0.046 0.000 2.295 492 L HA 0.235 4.577 4.340 0.004 0.000 0.288 492 L C -0.856 176.186 176.870 0.287 0.000 1.079 492 L CA -0.003 54.905 54.840 0.114 0.000 0.830 492 L CB -0.169 41.936 42.059 0.077 0.000 1.200 492 L HN -0.138 nan 8.230 nan 0.000 0.438 493 Y N 2.811 123.139 120.300 0.046 0.000 2.330 493 Y HA 0.333 4.885 4.550 0.004 0.000 0.336 493 Y C 0.791 176.728 175.900 0.062 0.000 1.036 493 Y CA -0.876 57.261 58.100 0.061 0.000 1.125 493 Y CB 1.697 40.213 38.460 0.093 0.000 1.194 493 Y HN 0.651 nan 8.280 nan 0.000 0.469 494 S N 3.454 119.217 115.700 0.105 0.000 2.563 494 S HA 0.021 4.493 4.470 0.004 0.000 0.284 494 S C 1.537 176.203 174.600 0.110 0.000 1.331 494 S CA -0.280 57.958 58.200 0.062 0.000 1.047 494 S CB 0.545 63.742 63.200 -0.005 0.000 0.859 494 S HN 0.863 nan 8.310 nan 0.000 0.514 495 R N 1.960 122.535 120.500 0.126 0.000 2.148 495 R HA -0.083 4.260 4.340 0.004 0.000 0.223 495 R C 2.045 178.516 176.300 0.285 0.000 1.088 495 R CA 1.929 58.161 56.100 0.220 0.000 0.985 495 R CB -0.214 30.166 30.300 0.133 0.000 0.880 495 R HN 0.932 nan 8.270 nan 0.000 0.451 496 E N -0.302 119.991 120.200 0.155 0.000 2.140 496 E HA -0.137 4.215 4.350 0.004 0.000 0.191 496 E C 1.782 178.396 176.600 0.024 0.000 0.973 496 E CA 0.386 56.875 56.400 0.148 0.000 0.829 496 E CB -0.204 29.553 29.700 0.095 0.000 0.781 496 E HN 0.339 nan 8.360 nan 0.000 0.466 497 Q N 0.594 120.338 119.800 -0.093 0.000 2.118 497 Q HA -0.206 4.136 4.340 0.004 0.000 0.211 497 Q C 2.271 178.097 176.000 -0.289 0.000 0.998 497 Q CA 1.939 57.550 55.803 -0.320 0.000 0.872 497 Q CB -0.436 27.996 28.738 -0.510 0.000 0.925 497 Q HN 0.564 nan 8.270 nan 0.000 0.414 498 G N -0.286 108.522 108.800 0.014 0.000 2.408 498 G HA2 -0.226 3.737 3.960 0.004 0.000 0.215 498 G HA3 -0.226 3.737 3.960 0.004 0.000 0.215 498 G C 0.965 175.926 174.900 0.101 0.000 1.156 498 G CA 0.171 45.449 45.100 0.297 0.000 0.793 498 G HN 0.517 nan 8.290 nan 0.000 0.535 499 W N 1.637 122.881 121.300 -0.093 0.000 2.425 499 W HA -0.064 4.599 4.660 0.004 0.000 0.277 499 W C 1.731 178.134 176.519 -0.194 0.000 1.231 499 W CA 0.741 57.899 57.345 -0.312 0.000 1.248 499 W CB 0.016 29.433 29.460 -0.071 0.000 1.117 499 W HN 0.132 nan 8.180 nan 0.000 0.568 500 N N 0.969 119.503 118.700 -0.277 0.000 2.069 500 N HA -0.232 4.511 4.740 0.004 0.000 0.191 500 N C 1.907 177.194 175.510 -0.371 0.000 1.031 500 N CA 1.779 54.552 53.050 -0.462 0.000 0.852 500 N CB -0.890 37.149 38.487 -0.746 0.000 1.018 500 N HN 0.249 nan 8.380 nan 0.000 0.423 501 R N 0.872 121.230 120.500 -0.236 0.000 2.082 501 R HA -0.077 4.265 4.340 0.004 0.000 0.234 501 R C 2.004 178.269 176.300 -0.058 0.000 1.136 501 R CA 1.211 57.342 56.100 0.051 0.000 0.935 501 R CB -0.282 30.138 30.300 0.199 0.000 0.842 501 R HN 0.112 nan 8.270 nan 0.000 0.430 502 I N 0.877 121.274 120.570 -0.288 0.000 2.315 502 I HA -0.315 3.857 4.170 0.004 0.000 0.251 502 I C 2.456 178.332 176.117 -0.400 0.000 1.125 502 I CA 1.426 62.496 61.300 -0.384 0.000 1.392 502 I CB -0.758 36.885 38.000 -0.594 0.000 1.065 502 I HN 0.435 nan 8.210 nan 0.000 0.424 503 M N -0.215 119.057 119.600 -0.547 0.000 2.081 503 M HA -0.259 4.223 4.480 0.004 0.000 0.261 503 M C 2.548 178.875 176.300 0.045 0.000 1.075 503 M CA 1.670 56.790 55.300 -0.300 0.000 1.133 503 M CB -0.501 31.752 32.600 -0.578 0.000 1.330 503 M HN 0.146 nan 8.290 nan 0.000 0.414 504 Y N 0.316 120.589 120.300 -0.045 0.000 2.165 504 Y HA -0.304 4.248 4.550 0.004 0.000 0.286 504 Y C 2.161 178.100 175.900 0.065 0.000 1.155 504 Y CA 1.817 59.943 58.100 0.043 0.000 1.164 504 Y CB -0.818 37.744 38.460 0.170 0.000 0.978 504 Y HN 0.374 nan 8.280 nan 0.000 0.513 505 C N 0.247 119.477 119.300 -0.117 0.000 2.473 505 C HA -0.155 4.307 4.460 0.004 0.000 0.279 505 C C 2.815 177.704 174.990 -0.169 0.000 1.250 505 C CA 1.371 60.303 59.018 -0.143 0.000 1.713 505 C CB -1.415 26.334 27.740 0.015 0.000 2.066 505 C HN 0.634 nan 8.230 nan 0.000 0.474 506 L N -0.815 120.239 121.223 -0.282 0.000 2.083 506 L HA -0.134 4.208 4.340 0.004 0.000 0.209 506 L C 2.137 178.718 176.870 -0.481 0.000 1.083 506 L CA 1.766 56.281 54.840 -0.542 0.000 0.752 506 L CB -0.474 40.972 42.059 -1.022 0.000 0.899 506 L HN 0.356 nan 8.230 nan 0.000 0.433 507 F N -1.501 118.503 119.950 0.090 0.000 2.390 507 F HA 0.094 4.623 4.527 0.004 0.000 0.281 507 F C 2.213 178.130 175.800 0.195 0.000 1.016 507 F CA 0.356 58.529 58.000 0.287 0.000 1.286 507 F CB 0.029 39.192 39.000 0.272 0.000 1.134 507 F HN -0.224 nan 8.300 nan 0.000 0.597 508 I N -0.083 120.465 120.570 -0.037 0.000 2.703 508 I HA -0.139 4.033 4.170 0.004 0.000 0.259 508 I C 2.006 178.014 176.117 -0.182 0.000 1.151 508 I CA 0.686 61.833 61.300 -0.255 0.000 1.470 508 I CB -0.370 37.382 38.000 -0.413 0.000 1.112 508 I HN 0.242 nan 8.210 nan 0.000 0.437 509 N N 0.488 118.944 118.700 -0.408 0.000 2.290 509 N HA -0.169 4.574 4.740 0.004 0.000 0.179 509 N C 1.741 177.252 175.510 0.002 0.000 1.016 509 N CA 1.473 54.365 53.050 -0.263 0.000 0.871 509 N CB 0.227 38.436 38.487 -0.463 0.000 0.987 509 N HN 0.452 nan 8.380 nan 0.000 0.431 510 H N -0.626 118.431 119.070 -0.021 0.000 2.332 510 H HA 0.295 4.854 4.556 0.004 0.000 0.316 510 H C 2.152 177.563 175.328 0.137 0.000 1.069 510 H CA 0.372 56.469 56.048 0.082 0.000 1.484 510 H CB 0.076 29.868 29.762 0.050 0.000 1.496 510 H HN -0.044 nan 8.280 nan 0.000 0.623 511 L N -0.309 121.162 121.223 0.413 0.000 2.044 511 L HA -0.136 4.206 4.340 0.004 0.000 0.205 511 L C 2.692 179.712 176.870 0.250 0.000 1.075 511 L CA 1.011 56.044 54.840 0.323 0.000 0.747 511 L CB -0.587 41.618 42.059 0.243 0.000 0.903 511 L HN 0.314 nan 8.230 nan 0.000 0.435 512 S N -0.075 115.960 115.700 0.559 0.000 2.426 512 S HA -0.320 4.152 4.470 0.004 0.000 0.259 512 S C 2.007 176.759 174.600 0.253 0.000 1.096 512 S CA 2.143 60.731 58.200 0.647 0.000 1.219 512 S CB -0.210 63.353 63.200 0.606 0.000 1.124 512 S HN 0.402 nan 8.310 nan 0.000 0.436 513 E N 0.102 120.397 120.200 0.159 0.000 2.077 513 E HA -0.077 4.276 4.350 0.004 0.000 0.193 513 E C 2.365 178.884 176.600 -0.136 0.000 0.989 513 E CA 1.601 58.025 56.400 0.040 0.000 0.800 513 E CB -1.183 28.557 29.700 0.067 0.000 0.746 513 E HN 0.678 nan 8.360 nan 0.000 0.452 514 T N 2.018 116.395 114.554 -0.295 0.000 2.635 514 T HA -0.178 4.175 4.350 0.004 0.000 0.267 514 T C 2.159 176.551 174.700 -0.513 0.000 1.040 514 T CA 1.406 62.964 62.100 -0.904 0.000 1.156 514 T CB -0.410 68.106 68.868 -0.587 0.000 0.863 514 T HN 0.079 nan 8.240 nan 0.000 0.430 515 I N 0.559 120.932 120.570 -0.329 0.000 2.043 515 I HA -0.219 3.954 4.170 0.004 0.000 0.231 515 I C 2.382 178.374 176.117 -0.207 0.000 1.024 515 I CA 1.125 62.199 61.300 -0.376 0.000 1.309 515 I CB -0.562 37.168 38.000 -0.451 0.000 1.030 515 I HN 0.128 nan 8.210 nan 0.000 0.389 516 L N 0.886 122.050 121.223 -0.099 0.000 2.151 516 L HA -0.332 4.010 4.340 0.004 0.000 0.219 516 L C 2.331 179.205 176.870 0.007 0.000 1.083 516 L CA 2.360 57.162 54.840 -0.063 0.000 0.782 516 L CB -0.995 40.999 42.059 -0.109 0.000 0.891 516 L HN 0.374 nan 8.230 nan 0.000 0.439 517 A N -1.169 121.617 122.820 -0.056 0.000 1.854 517 A HA -0.087 4.236 4.320 0.004 0.000 0.214 517 A C 2.194 179.756 177.584 -0.037 0.000 1.192 517 A CA 1.620 53.656 52.037 -0.003 0.000 0.611 517 A CB -0.730 18.263 19.000 -0.011 0.000 0.832 517 A HN 0.464 nan 8.150 nan 0.000 0.442 518 L N 0.522 121.666 121.223 -0.133 0.000 2.046 518 L HA -0.134 4.208 4.340 0.004 0.000 0.208 518 L C 2.560 179.366 176.870 -0.105 0.000 1.077 518 L CA 1.635 56.389 54.840 -0.144 0.000 0.747 518 L CB -0.494 41.460 42.059 -0.176 0.000 0.896 518 L HN 0.533 nan 8.230 nan 0.000 0.432 519 S N -1.192 114.452 115.700 -0.093 0.000 2.671 519 S HA -0.039 4.434 4.470 0.004 0.000 0.220 519 S C 0.892 175.490 174.600 -0.003 0.000 0.951 519 S CA -0.393 57.769 58.200 -0.064 0.000 0.932 519 S CB -0.343 62.806 63.200 -0.086 0.000 0.777 519 S HN 0.346 nan 8.310 nan 0.000 0.508 520 Q N 1.286 121.103 119.800 0.029 0.000 2.286 520 Q HA 0.250 4.593 4.340 0.004 0.000 0.290 520 Q C 1.332 177.228 176.000 -0.174 0.000 1.049 520 Q CA 1.452 57.179 55.803 -0.128 0.000 0.923 520 Q CB 0.172 28.812 28.738 -0.164 0.000 1.183 520 Q HN 0.697 nan 8.270 nan 0.000 0.383 521 G N 4.820 113.488 108.800 -0.220 0.000 2.304 521 G HA2 -0.248 3.714 3.960 0.004 0.000 0.252 521 G HA3 -0.248 3.714 3.960 0.004 0.000 0.252 521 G C 0.241 175.094 174.900 -0.079 0.000 1.014 521 G CA 0.404 45.424 45.100 -0.132 0.000 0.619 521 G HN 0.605 nan 8.290 nan 0.000 0.525 522 R N 0.443 120.903 120.500 -0.067 0.000 2.886 522 R HA 0.279 4.622 4.340 0.004 0.000 0.306 522 R C -1.727 174.548 176.300 -0.041 0.000 1.300 522 R CA -1.101 54.969 56.100 -0.050 0.000 1.441 522 R CB 0.932 31.200 30.300 -0.054 0.000 1.328 522 R HN 0.314 nan 8.270 nan 0.000 0.629 523 P HA -0.262 nan 4.420 nan 0.000 0.217 523 P C 1.300 178.582 177.300 -0.029 0.000 1.151 523 P CA 1.303 64.392 63.100 -0.018 0.000 0.849 523 P CB 0.274 31.965 31.700 -0.014 0.000 0.787 524 Q N 0.119 119.901 119.800 -0.030 0.000 2.325 524 Q HA -0.168 4.174 4.340 0.004 0.000 0.211 524 Q C 2.099 178.076 176.000 -0.038 0.000 0.988 524 Q CA 1.353 57.139 55.803 -0.028 0.000 0.887 524 Q CB -1.474 27.250 28.738 -0.024 0.000 0.915 524 Q HN 0.328 nan 8.270 nan 0.000 0.440 525 L N 0.473 121.662 121.223 -0.057 0.000 2.141 525 L HA -0.128 4.214 4.340 0.004 0.000 0.209 525 L C 2.688 179.488 176.870 -0.117 0.000 1.094 525 L CA 0.820 55.606 54.840 -0.090 0.000 0.763 525 L CB -0.857 41.134 42.059 -0.113 0.000 0.908 525 L HN 0.302 nan 8.230 nan 0.000 0.437 526 A N 1.460 124.230 122.820 -0.085 0.000 1.859 526 A HA -0.222 4.100 4.320 0.004 0.000 0.218 526 A C 0.011 177.615 177.584 0.034 0.000 1.242 526 A CA 2.469 54.476 52.037 -0.050 0.000 0.661 526 A CB -2.188 16.835 19.000 0.038 0.000 0.842 526 A HN 0.304 nan 8.150 nan 0.000 0.455 527 P HA -0.151 nan 4.420 nan 0.000 0.216 527 P C 1.665 179.033 177.300 0.113 0.000 1.150 527 P CA 1.272 64.462 63.100 0.151 0.000 0.837 527 P CB -0.312 31.433 31.700 0.075 0.000 0.786 528 L N -1.577 119.660 121.223 0.024 0.000 2.012 528 L HA -0.182 4.160 4.340 0.004 0.000 0.210 528 L C 2.957 179.815 176.870 -0.019 0.000 1.073 528 L CA 1.771 56.611 54.840 0.001 0.000 0.748 528 L CB -1.012 41.028 42.059 -0.032 0.000 0.891 528 L HN -0.054 nan 8.230 nan 0.000 0.431 529 M N -1.370 118.140 119.600 -0.149 0.000 2.082 529 M HA -0.267 4.215 4.480 0.004 0.000 0.258 529 M C 2.215 178.435 176.300 -0.134 0.000 1.069 529 M CA 2.288 57.391 55.300 -0.328 0.000 1.102 529 M CB -0.527 31.502 32.600 -0.952 0.000 1.336 529 M HN 0.246 nan 8.290 nan 0.000 0.404 530 W N -0.123 121.192 121.300 0.025 0.000 2.363 530 W HA -0.153 4.509 4.660 0.004 0.000 0.296 530 W C 2.651 179.180 176.519 0.018 0.000 1.212 530 W CA 0.959 58.385 57.345 0.136 0.000 1.260 530 W CB -0.319 29.278 29.460 0.229 0.000 1.131 530 W HN 0.215 nan 8.180 nan 0.000 0.530 531 R N 0.701 121.325 120.500 0.207 0.000 2.081 531 R HA -0.142 4.201 4.340 0.004 0.000 0.235 531 R C 2.300 178.603 176.300 0.005 0.000 1.131 531 R CA 1.252 57.382 56.100 0.050 0.000 0.960 531 R CB -0.231 30.100 30.300 0.053 0.000 0.856 531 R HN 0.074 nan 8.270 nan 0.000 0.436 532 R N 0.060 120.601 120.500 0.068 0.000 2.105 532 R HA -0.102 4.241 4.340 0.004 0.000 0.239 532 R C 2.237 178.585 176.300 0.078 0.000 1.135 532 R CA 1.321 57.473 56.100 0.086 0.000 0.967 532 R CB -0.577 29.831 30.300 0.180 0.000 0.861 532 R HN 0.174 nan 8.270 nan 0.000 0.442 533 V N 1.285 121.281 119.914 0.137 0.000 2.287 533 V HA -0.265 3.857 4.120 0.004 0.000 0.248 533 V C 2.592 178.663 176.094 -0.037 0.000 1.053 533 V CA 1.863 64.244 62.300 0.135 0.000 1.027 533 V CB -0.623 31.417 31.823 0.361 0.000 0.646 533 V HN 0.372 nan 8.190 nan 0.000 0.447 534 Q N -0.666 118.970 119.800 -0.273 0.000 2.224 534 Q HA -0.240 4.102 4.340 0.004 0.000 0.203 534 Q C 2.301 178.165 176.000 -0.228 0.000 0.970 534 Q CA 1.558 57.059 55.803 -0.503 0.000 0.865 534 Q CB 0.058 28.283 28.738 -0.856 0.000 0.922 534 Q HN 0.716 nan 8.270 nan 0.000 0.445 535 Q N -0.363 119.361 119.800 -0.128 0.000 2.049 535 Q HA -0.200 4.142 4.340 0.004 0.000 0.198 535 Q C 2.014 177.992 176.000 -0.035 0.000 0.971 535 Q CA 1.306 57.069 55.803 -0.068 0.000 0.833 535 Q CB -0.012 28.703 28.738 -0.039 0.000 0.896 535 Q HN 0.196 nan 8.270 nan 0.000 0.434 536 Q N 1.103 120.890 119.800 -0.021 0.000 2.062 536 Q HA -0.196 4.146 4.340 0.004 0.000 0.209 536 Q C 1.839 177.858 176.000 0.032 0.000 0.996 536 Q CA 1.669 57.472 55.803 0.000 0.000 0.859 536 Q CB -0.544 28.191 28.738 -0.004 0.000 0.920 536 Q HN 0.400 nan 8.270 nan 0.000 0.415 537 L N -0.441 120.813 121.223 0.052 0.000 2.051 537 L HA -0.291 4.051 4.340 0.004 0.000 0.214 537 L C 2.596 179.500 176.870 0.056 0.000 1.076 537 L CA 1.991 56.892 54.840 0.101 0.000 0.758 537 L CB -0.300 41.810 42.059 0.085 0.000 0.890 537 L HN 0.268 nan 8.230 nan 0.000 0.433 538 R N -1.011 119.492 120.500 0.005 0.000 2.080 538 R HA -0.010 4.333 4.340 0.004 0.000 0.222 538 R C 2.423 178.721 176.300 -0.003 0.000 1.107 538 R CA 1.027 57.123 56.100 -0.007 0.000 0.980 538 R CB -0.341 29.944 30.300 -0.026 0.000 0.879 538 R HN 0.318 nan 8.270 nan 0.000 0.439 539 A N 1.205 124.024 122.820 -0.001 0.000 1.902 539 A HA -0.161 4.161 4.320 0.004 0.000 0.217 539 A C 2.121 179.711 177.584 0.010 0.000 1.181 539 A CA 1.288 53.325 52.037 0.001 0.000 0.623 539 A CB -0.523 18.477 19.000 -0.001 0.000 0.818 539 A HN 0.184 nan 8.150 nan 0.000 0.443 540 I N -0.521 120.064 120.570 0.026 0.000 2.179 540 I HA -0.330 3.842 4.170 0.004 0.000 0.242 540 I C 2.823 178.963 176.117 0.040 0.000 1.088 540 I CA 1.872 63.199 61.300 0.045 0.000 1.357 540 I CB -0.289 37.759 38.000 0.080 0.000 1.051 540 I HN 0.566 nan 8.210 nan 0.000 0.409 541 Q N 0.945 120.760 119.800 0.026 0.000 2.045 541 Q HA -0.236 4.107 4.340 0.004 0.000 0.206 541 Q C 2.251 178.232 176.000 -0.032 0.000 0.991 541 Q CA 2.205 57.994 55.803 -0.023 0.000 0.851 541 Q CB -0.542 28.167 28.738 -0.049 0.000 0.911 541 Q HN 0.561 nan 8.270 nan 0.000 0.418 542 G N 0.399 109.186 108.800 -0.021 0.000 2.550 542 G HA2 -0.312 3.651 3.960 0.004 0.000 0.222 542 G HA3 -0.312 3.651 3.960 0.004 0.000 0.222 542 G C 0.975 175.866 174.900 -0.014 0.000 1.113 542 G CA 1.289 46.377 45.100 -0.020 0.000 0.748 542 G HN 0.591 nan 8.290 nan 0.000 0.585 543 E N -0.331 119.867 120.200 -0.003 0.000 2.230 543 E HA 0.175 4.527 4.350 0.004 0.000 0.192 543 E C 0.877 177.481 176.600 0.006 0.000 0.987 543 E CA -0.463 55.940 56.400 0.005 0.000 0.841 543 E CB 0.028 29.739 29.700 0.017 0.000 0.783 543 E HN 0.329 nan 8.360 nan 0.000 0.481 544 L N 1.499 122.726 121.223 0.006 0.000 2.516 544 L HA -0.072 4.270 4.340 0.004 0.000 0.288 544 L C 0.861 177.722 176.870 -0.015 0.000 1.246 544 L CA 0.666 55.511 54.840 0.008 0.000 0.844 544 L CB 0.246 42.302 42.059 -0.005 0.000 1.106 544 L HN -0.063 nan 8.230 nan 0.000 0.509 545 K N 1.416 121.806 120.400 -0.017 0.000 2.514 545 K HA 0.211 4.534 4.320 0.004 0.000 0.207 545 K C -0.670 175.905 176.600 -0.041 0.000 1.035 545 K CA -0.066 56.204 56.287 -0.029 0.000 1.113 545 K CB 0.441 32.928 32.500 -0.023 0.000 0.846 545 K HN 0.414 nan 8.250 nan 0.000 0.491 546 Q N -0.124 119.651 119.800 -0.043 0.000 2.575 546 Q HA 0.331 4.674 4.340 0.004 0.000 0.290 546 Q C -2.754 173.200 176.000 -0.076 0.000 0.963 546 Q CA -1.903 53.871 55.803 -0.048 0.000 0.783 546 Q CB 1.268 29.984 28.738 -0.037 0.000 1.467 546 Q HN -0.032 nan 8.270 nan 0.000 0.402 547 P HA 0.198 nan 4.420 nan 0.000 0.274 547 P C -0.476 176.688 177.300 -0.227 0.000 1.246 547 P CA -0.233 62.787 63.100 -0.134 0.000 0.795 547 P CB 0.547 32.189 31.700 -0.098 0.000 1.006 548 S N -1.365 114.118 115.700 -0.362 0.000 2.680 548 S HA 0.289 4.762 4.470 0.004 0.000 0.153 548 S C -2.371 171.938 174.600 -0.486 0.000 1.224 548 S CA -0.819 56.965 58.200 -0.694 0.000 1.197 548 S CB 0.483 62.801 63.200 -1.469 0.000 1.634 548 S HN 0.097 nan 8.310 nan 0.000 0.422 549 P HA -0.145 nan 4.420 nan 0.000 0.214 549 P C 1.174 178.323 177.300 -0.252 0.000 1.163 549 P CA 1.661 64.631 63.100 -0.216 0.000 0.889 549 P CB 0.020 31.631 31.700 -0.150 0.000 0.790 550 E N -0.684 119.320 120.200 -0.326 0.000 2.171 550 E HA -0.191 4.162 4.350 0.004 0.000 0.197 550 E C 1.879 178.242 176.600 -0.396 0.000 0.997 550 E CA 0.807 56.929 56.400 -0.464 0.000 0.810 550 E CB -1.330 27.750 29.700 -1.034 0.000 0.738 550 E HN 0.151 nan 8.360 nan 0.000 0.467 551 L N 1.178 122.135 121.223 -0.443 0.000 2.005 551 L HA -0.159 4.183 4.340 0.004 0.000 0.207 551 L C 1.319 178.155 176.870 -0.056 0.000 1.072 551 L CA 1.966 56.694 54.840 -0.187 0.000 0.744 551 L CB -0.556 41.296 42.059 -0.345 0.000 0.895 551 L HN -0.035 nan 8.230 nan 0.000 0.433 552 D N -0.029 120.295 120.400 -0.126 0.000 2.116 552 D HA -0.222 4.420 4.640 0.004 0.000 0.193 552 D C 2.215 178.516 176.300 0.001 0.000 0.998 552 D CA 1.641 55.607 54.000 -0.058 0.000 0.836 552 D CB -0.395 40.350 40.800 -0.090 0.000 0.951 552 D HN 0.488 nan 8.370 nan 0.000 0.449 553 A N 0.615 123.411 122.820 -0.041 0.000 1.873 553 A HA -0.205 4.117 4.320 0.004 0.000 0.218 553 A C 2.233 179.904 177.584 0.144 0.000 1.193 553 A CA 1.443 53.458 52.037 -0.037 0.000 0.629 553 A CB -0.951 17.986 19.000 -0.106 0.000 0.826 553 A HN 0.244 nan 8.150 nan 0.000 0.447 554 L N -0.338 121.010 121.223 0.207 0.000 2.017 554 L HA -0.111 4.232 4.340 0.004 0.000 0.208 554 L C 2.380 179.518 176.870 0.448 0.000 1.073 554 L CA 1.715 56.742 54.840 0.313 0.000 0.745 554 L CB -0.401 41.893 42.059 0.391 0.000 0.894 554 L HN 0.465 nan 8.230 nan 0.000 0.432 555 I N -0.353 120.418 120.570 0.334 0.000 2.118 555 I HA -0.318 3.854 4.170 0.004 0.000 0.241 555 I C 1.934 178.265 176.117 0.357 0.000 1.070 555 I CA 1.407 62.877 61.300 0.282 0.000 1.327 555 I CB -0.478 37.584 38.000 0.103 0.000 1.034 555 I HN 0.310 nan 8.210 nan 0.000 0.405 556 A N 0.680 123.657 122.820 0.262 0.000 2.324 556 A HA 0.318 4.640 4.320 0.004 0.000 0.240 556 A C 1.645 179.397 177.584 0.279 0.000 1.347 556 A CA 0.658 52.840 52.037 0.241 0.000 1.036 556 A CB -1.375 17.726 19.000 0.168 0.000 0.917 556 A HN 0.690 nan 8.150 nan 0.000 0.519 557 G N -0.993 108.022 108.800 0.357 0.000 2.166 557 G HA2 -0.284 3.679 3.960 0.004 0.000 0.260 557 G HA3 -0.284 3.679 3.960 0.004 0.000 0.260 557 G C 0.260 175.109 174.900 -0.085 0.000 0.986 557 G CA 0.484 45.597 45.100 0.022 0.000 0.683 557 G HN 0.765 nan 8.290 nan 0.000 0.527 558 H N 1.479 120.532 119.070 -0.029 0.000 2.852 558 H HA 0.171 4.729 4.556 0.004 0.000 0.362 558 H C -1.585 173.695 175.328 -0.081 0.000 1.122 558 H CA 0.022 56.049 56.048 -0.035 0.000 1.419 558 H CB 0.810 30.585 29.762 0.022 0.000 1.401 558 H HN 0.224 nan 8.280 nan 0.000 0.609 559 P HA -0.025 nan 4.420 nan 0.000 0.269 559 P C -0.586 176.711 177.300 -0.006 0.000 1.215 559 P CA -0.075 62.996 63.100 -0.047 0.000 0.780 559 P CB 0.806 32.485 31.700 -0.035 0.000 0.898 560 V N 1.582 121.468 119.914 -0.047 0.000 2.435 560 V HA 0.464 4.586 4.120 0.004 0.000 0.290 560 V C 0.741 176.802 176.094 -0.055 0.000 1.030 560 V CA -0.978 61.285 62.300 -0.061 0.000 0.881 560 V CB 1.073 32.821 31.823 -0.125 0.000 0.983 560 V HN 0.739 nan 8.190 nan 0.000 0.445 561 A N 3.432 126.236 122.820 -0.027 0.000 2.477 561 A HA 0.442 4.765 4.320 0.004 0.000 0.246 561 A C 0.058 177.725 177.584 0.137 0.000 1.078 561 A CA 0.016 52.077 52.037 0.040 0.000 0.770 561 A CB 0.056 19.044 19.000 -0.020 0.000 1.011 561 A HN 1.171 nan 8.150 nan 0.000 0.494 562 C N 4.106 123.500 119.300 0.156 0.000 2.432 562 C HA 0.568 5.030 4.460 0.004 0.000 0.334 562 C C -0.041 174.781 174.990 -0.281 0.000 1.155 562 C CA -0.906 58.197 59.018 0.142 0.000 1.335 562 C CB 0.233 27.989 27.740 0.027 0.000 1.964 562 C HN 1.008 nan 8.230 nan 0.000 0.444 563 K N 3.563 123.302 120.400 -1.103 0.000 2.382 563 K HA 0.361 4.683 4.320 0.004 0.000 0.275 563 K C 0.279 176.295 176.600 -0.974 0.000 1.009 563 K CA 0.472 55.782 56.287 -1.629 0.000 0.970 563 K CB 0.661 31.979 32.500 -1.970 0.000 0.934 563 K HN 0.855 nan 8.250 nan 0.000 0.479 564 T N 1.365 115.490 114.554 -0.715 0.000 2.821 564 T HA 0.235 4.587 4.350 0.004 0.000 0.307 564 T C 0.514 174.975 174.700 -0.397 0.000 1.034 564 T CA -0.994 60.834 62.100 -0.455 0.000 0.953 564 T CB 0.933 69.566 68.868 -0.391 0.000 0.968 564 T HN 0.496 nan 8.240 nan 0.000 0.462 565 N N 1.798 120.273 118.700 -0.376 0.000 2.109 565 N HA -0.047 4.696 4.740 0.004 0.000 0.188 565 N C 1.696 177.007 175.510 -0.331 0.000 1.034 565 N CA 0.773 53.565 53.050 -0.429 0.000 0.846 565 N CB -0.409 37.693 38.487 -0.643 0.000 1.010 565 N HN 0.548 nan 8.380 nan 0.000 0.425 566 L N 1.891 122.983 121.223 -0.218 0.000 2.027 566 L HA -0.040 4.302 4.340 0.004 0.000 0.206 566 L C 2.051 178.929 176.870 0.013 0.000 1.074 566 L CA 1.815 56.616 54.840 -0.065 0.000 0.745 566 L CB -0.802 41.294 42.059 0.061 0.000 0.898 566 L HN 0.014 nan 8.230 nan 0.000 0.433 567 K N -1.097 119.304 120.400 0.003 0.000 2.103 567 K HA -0.143 4.179 4.320 0.004 0.000 0.207 567 K C 1.984 178.565 176.600 -0.032 0.000 1.048 567 K CA 1.595 57.893 56.287 0.019 0.000 0.930 567 K CB -0.145 32.227 32.500 -0.214 0.000 0.716 567 K HN 0.294 nan 8.250 nan 0.000 0.444 568 V N 1.422 121.276 119.914 -0.099 0.000 2.255 568 V HA -0.280 3.842 4.120 0.004 0.000 0.247 568 V C 2.211 178.278 176.094 -0.045 0.000 1.051 568 V CA 1.829 64.076 62.300 -0.088 0.000 1.018 568 V CB -0.401 31.343 31.823 -0.132 0.000 0.641 568 V HN 0.355 nan 8.190 nan 0.000 0.445 569 R N -0.985 119.488 120.500 -0.046 0.000 2.193 569 R HA -0.112 4.231 4.340 0.004 0.000 0.229 569 R C 1.976 178.280 176.300 0.007 0.000 1.110 569 R CA 1.068 57.159 56.100 -0.015 0.000 0.988 569 R CB -0.318 29.973 30.300 -0.016 0.000 0.871 569 R HN 0.358 nan 8.270 nan 0.000 0.458 570 L N 0.146 121.379 121.223 0.018 0.000 2.185 570 L HA 0.201 4.543 4.340 0.004 0.000 0.198 570 L C 1.029 177.911 176.870 0.020 0.000 1.079 570 L CA 1.037 55.897 54.840 0.032 0.000 0.780 570 L CB -0.462 41.642 42.059 0.076 0.000 0.955 570 L HN 0.019 nan 8.230 nan 0.000 0.462 579 S N 0.307 115.923 115.700 -0.140 0.000 2.528 579 S HA 0.552 5.024 4.470 0.004 0.000 0.277 579 S C -1.118 173.351 174.600 -0.218 0.000 1.297 579 S CA 0.329 58.466 58.200 -0.104 0.000 1.052 579 S CB -0.137 62.981 63.200 -0.136 0.000 0.917 579 S HN 0.390 nan 8.310 nan 0.000 0.492 580 Y N 1.533 121.737 120.300 -0.160 0.000 2.341 580 Y HA 0.487 5.040 4.550 0.004 0.000 0.337 580 Y C 0.498 176.305 175.900 -0.155 0.000 1.014 580 Y CA -0.956 57.038 58.100 -0.178 0.000 1.111 580 Y CB 1.031 39.402 38.460 -0.149 0.000 1.194 580 Y HN 0.487 nan 8.280 nan 0.000 0.462 581 V N 0.871 120.746 119.914 -0.064 0.000 3.093 581 V HA 0.695 4.817 4.120 0.004 0.000 0.320 581 V C -0.344 175.725 176.094 -0.042 0.000 1.093 581 V CA -1.335 60.917 62.300 -0.081 0.000 1.016 581 V CB 1.821 33.547 31.823 -0.161 0.000 1.096 581 V HN 0.618 nan 8.190 nan 0.000 0.452 582 R N 2.085 122.554 120.500 -0.050 0.000 2.265 582 R HA 0.631 4.974 4.340 0.004 0.000 0.328 582 R C -1.167 175.103 176.300 -0.051 0.000 0.969 582 R CA -0.379 55.699 56.100 -0.037 0.000 0.832 582 R CB 1.195 31.479 30.300 -0.027 0.000 1.139 582 R HN 0.754 nan 8.270 nan 0.000 0.457 583 L N 4.988 126.181 121.223 -0.050 0.000 2.322 583 L HA 0.436 4.778 4.340 0.004 0.000 0.281 583 L C -2.097 174.771 176.870 -0.004 0.000 1.014 583 L CA -2.359 52.467 54.840 -0.023 0.000 0.815 583 L CB 2.033 44.077 42.059 -0.026 0.000 1.247 583 L HN 0.187 nan 8.230 nan 0.000 0.421 584 P HA -0.071 nan 4.420 nan 0.000 0.263 584 P C -0.113 177.077 177.300 -0.184 0.000 1.175 584 P CA 0.309 63.344 63.100 -0.108 0.000 0.761 584 P CB 0.577 32.213 31.700 -0.107 0.000 0.794 585 S N 4.240 119.724 115.700 -0.360 0.000 2.566 585 S HA 0.073 4.545 4.470 0.004 0.000 0.280 585 S C -1.463 172.624 174.600 -0.854 0.000 1.343 585 S CA -0.881 56.866 58.200 -0.755 0.000 1.036 585 S CB -0.352 62.258 63.200 -0.984 0.000 0.866 585 S HN 0.291 nan 8.310 nan 0.000 0.526 586 P HA 0.230 nan 4.420 nan 0.000 0.253 586 P C -0.830 176.309 177.300 -0.269 0.000 1.281 586 P CA 0.241 62.829 63.100 -0.854 0.000 0.792 586 P CB -0.325 30.565 31.700 -1.350 0.000 1.193 587 W N 0.000 121.167 121.300 -0.222 0.000 2.388 587 W HA 0.000 4.662 4.660 0.004 0.000 0.303 587 W CA 0.000 57.283 57.345 -0.103 0.000 1.226 587 W CB 0.000 29.435 29.460 -0.042 0.000 1.126 587 W HN 0.000 nan 8.180 nan 0.000 0.535