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 1dty_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTTDDLAFDE RHIWHPYTSM TSPLPVYPVV SAEGCELILS DGRRLVDGMS DATA SEQUENCE SWWAAIHGYN HPQLNAAMKS QIDAMSHVMF GEITHAPAIE LCRKLVAMTP DATA SEQUENCE QPLECVFLAD SGSVAVEVAM KMALQYWDAK GEARDRFLTF RNGYHGDTFG DATA SEQUENCE AMSVCDPDNS MHSLWKGYLP ENLFAPAPQS RMDGEWDERD MVGFARLMAA DATA SEQUENCE HRHEIAAVII EPIVQGAGGM RMYHPEWLKR IRKICDREGI LLIADEIATG DATA SEQUENCE FGRTGKLFAC EHAEIAPDIL CLGKALTGGT MTLSATLTTR EVAETISDGE DATA SEQUENCE AGCFMHGPTF MGNPLACAAA NASLAILESG DWQQQVADIE VQLREQLAPA DATA SEQUENCE RDAEMVADVR VLGAIGVVET THPVNMAALQ KFFVEQGVWI RPFGKLIYLM DATA SEQUENCE PPYIILPQQL QRLTAAVNRA VQDETFFCQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.012 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.009 0.000 1.302 2 T N -2.338 112.214 114.554 -0.004 0.000 2.949 2 T HA 0.484 4.839 4.350 0.008 0.000 0.287 2 T C 0.757 175.461 174.700 0.005 0.000 1.034 2 T CA -0.297 61.802 62.100 -0.002 0.000 1.018 2 T CB 1.684 70.549 68.868 -0.004 0.000 1.135 2 T HN 0.626 nan 8.240 nan 0.000 0.532 3 T N 0.812 115.368 114.554 0.004 0.000 2.653 3 T HA -0.164 4.191 4.350 0.008 0.000 0.268 3 T C 1.452 176.165 174.700 0.022 0.000 1.035 3 T CA 2.354 64.459 62.100 0.007 0.000 1.154 3 T CB -0.709 68.162 68.868 0.004 0.000 0.862 3 T HN 0.876 nan 8.240 nan 0.000 0.441 4 D N 0.371 120.787 120.400 0.027 0.000 2.224 4 D HA -0.072 4.573 4.640 0.008 0.000 0.205 4 D C 1.741 178.089 176.300 0.080 0.000 0.965 4 D CA 0.657 54.688 54.000 0.051 0.000 0.852 4 D CB -0.157 40.667 40.800 0.040 0.000 0.947 4 D HN 0.223 nan 8.370 nan 0.000 0.494 5 D N -0.107 120.324 120.400 0.053 0.000 2.084 5 D HA -0.110 4.535 4.640 0.008 0.000 0.194 5 D C 2.193 178.565 176.300 0.120 0.000 0.990 5 D CA 0.722 54.765 54.000 0.071 0.000 0.826 5 D CB -0.331 40.486 40.800 0.028 0.000 0.971 5 D HN 0.305 nan 8.370 nan 0.000 0.453 6 L N 0.508 121.773 121.223 0.069 0.000 2.191 6 L HA -0.102 4.243 4.340 0.008 0.000 0.212 6 L C 2.384 179.289 176.870 0.059 0.000 1.103 6 L CA 0.938 55.809 54.840 0.051 0.000 0.769 6 L CB -0.392 41.669 42.059 0.002 0.000 0.908 6 L HN -0.030 nan 8.230 nan 0.000 0.438 7 A N -0.500 122.364 122.820 0.075 0.000 1.970 7 A HA -0.155 4.170 4.320 0.008 0.000 0.216 7 A C 2.117 179.767 177.584 0.111 0.000 1.170 7 A CA 0.674 52.748 52.037 0.062 0.000 0.645 7 A CB -0.538 18.495 19.000 0.054 0.000 0.816 7 A HN 0.363 nan 8.150 nan 0.000 0.447 8 F N 1.205 121.191 119.950 0.059 0.000 2.113 8 F HA -0.168 4.363 4.527 0.006 0.000 0.297 8 F C 2.075 177.957 175.800 0.137 0.000 1.103 8 F CA 1.980 60.058 58.000 0.130 0.000 1.248 8 F CB -0.087 38.959 39.000 0.076 0.000 0.999 8 F HN 0.388 nan 8.300 nan 0.000 0.475 9 D N 0.502 121.046 120.400 0.241 0.000 2.126 9 D HA -0.267 4.378 4.640 0.008 0.000 0.190 9 D C 1.749 178.068 176.300 0.032 0.000 1.001 9 D CA 2.230 56.329 54.000 0.165 0.000 0.841 9 D CB -0.164 40.746 40.800 0.183 0.000 0.949 9 D HN 0.553 nan 8.370 nan 0.000 0.446 10 E N -0.157 120.033 120.200 -0.017 0.000 2.150 10 E HA -0.162 4.193 4.350 0.008 0.000 0.193 10 E C 2.305 178.796 176.600 -0.183 0.000 0.985 10 E CA 0.896 57.250 56.400 -0.076 0.000 0.814 10 E CB -0.148 29.506 29.700 -0.077 0.000 0.752 10 E HN 0.177 nan 8.360 nan 0.000 0.466 11 R N -0.420 119.916 120.500 -0.273 0.000 2.223 11 R HA 0.040 4.385 4.340 0.008 0.000 0.198 11 R C 1.400 177.260 176.300 -0.734 0.000 0.984 11 R CA 0.970 56.781 56.100 -0.483 0.000 1.018 11 R CB 0.316 30.301 30.300 -0.525 0.000 0.945 11 R HN 0.246 nan 8.270 nan 0.000 0.479 12 H N -1.435 117.356 119.070 -0.464 0.000 3.400 12 H HA 0.256 4.816 4.556 0.008 0.000 0.251 12 H C -0.112 175.054 175.328 -0.269 0.000 1.040 12 H CA -0.021 55.751 56.048 -0.459 0.000 1.175 12 H CB 0.992 30.271 29.762 -0.804 0.000 1.487 12 H HN 0.042 nan 8.280 nan 0.000 0.505 13 I N 1.820 122.350 120.570 -0.066 0.000 2.307 13 I HA 0.035 4.210 4.170 0.008 0.000 0.289 13 I C -0.040 176.128 176.117 0.085 0.000 1.021 13 I CA -0.422 60.910 61.300 0.054 0.000 1.224 13 I CB 1.178 39.245 38.000 0.111 0.000 1.376 13 I HN 0.020 nan 8.210 nan 0.000 0.470 14 W N 5.981 127.296 121.300 0.024 0.000 2.181 14 W HA 0.184 4.847 4.660 0.006 0.000 0.335 14 W C 0.419 176.926 176.519 -0.020 0.000 1.310 14 W CA 0.272 57.645 57.345 0.048 0.000 1.226 14 W CB 0.554 30.025 29.460 0.019 0.000 1.155 14 W HN 0.477 nan 8.180 nan 0.000 0.565 15 H N 2.424 121.726 119.070 0.386 0.000 2.771 15 H HA 0.246 4.808 4.556 0.009 0.000 0.367 15 H C -1.951 173.566 175.328 0.315 0.000 1.172 15 H CA -1.930 54.296 56.048 0.297 0.000 1.186 15 H CB 1.508 31.417 29.762 0.245 0.000 1.790 15 H HN -0.159 nan 8.280 nan 0.000 0.556 16 P HA -0.093 nan 4.420 nan 0.000 0.258 16 P C -0.796 176.783 177.300 0.466 0.000 1.172 16 P CA 0.684 64.026 63.100 0.403 0.000 0.762 16 P CB -0.350 31.666 31.700 0.526 0.000 0.764 17 Y N -0.252 120.165 120.300 0.196 0.000 3.001 17 Y HA -0.241 4.315 4.550 0.009 0.000 0.199 17 Y C 0.579 176.630 175.900 0.251 0.000 1.320 17 Y CA 0.837 59.050 58.100 0.189 0.000 0.974 17 Y CB -2.245 36.306 38.460 0.150 0.000 1.291 17 Y HN 0.276 nan 8.280 nan 0.000 0.465 18 T N 0.095 114.882 114.554 0.388 0.000 2.893 18 T HA 0.540 4.895 4.350 0.008 0.000 0.291 18 T C -0.375 174.577 174.700 0.421 0.000 1.028 18 T CA -0.297 62.041 62.100 0.395 0.000 0.995 18 T CB 1.736 70.857 68.868 0.421 0.000 1.051 18 T HN 0.318 nan 8.240 nan 0.000 0.470 19 S N 2.435 118.283 115.700 0.247 0.000 2.537 19 S HA 0.285 4.760 4.470 0.008 0.000 0.275 19 S C 1.187 175.771 174.600 -0.026 0.000 1.272 19 S CA -0.589 57.705 58.200 0.156 0.000 1.050 19 S CB 0.815 64.077 63.200 0.103 0.000 0.961 19 S HN 0.652 nan 8.310 nan 0.000 0.496 20 M N 4.228 123.735 119.600 -0.155 0.000 2.388 20 M HA 0.058 4.543 4.480 0.008 0.000 0.265 20 M C 2.077 178.248 176.300 -0.214 0.000 1.088 20 M CA 1.999 57.073 55.300 -0.377 0.000 1.134 20 M CB -1.096 31.122 32.600 -0.637 0.000 1.384 20 M HN 0.946 nan 8.290 nan 0.000 0.447 21 T N -2.794 111.693 114.554 -0.113 0.000 2.851 21 T HA 0.071 4.426 4.350 0.008 0.000 0.262 21 T C 0.836 175.502 174.700 -0.057 0.000 1.043 21 T CA 1.055 63.109 62.100 -0.078 0.000 1.140 21 T CB -0.391 68.455 68.868 -0.037 0.000 0.872 21 T HN 0.298 nan 8.240 nan 0.000 0.446 22 S N 3.080 118.762 115.700 -0.030 0.000 2.204 22 S HA 0.424 4.899 4.470 0.008 0.000 0.178 22 S C -2.792 171.807 174.600 -0.001 0.000 1.493 22 S CA -1.193 56.998 58.200 -0.014 0.000 1.266 22 S CB 0.963 64.167 63.200 0.007 0.000 1.232 22 S HN 0.491 nan 8.310 nan 0.000 0.406 23 P HA 0.359 nan 4.420 nan 0.000 0.278 23 P C -0.502 176.796 177.300 -0.003 0.000 1.238 23 P CA -0.514 62.585 63.100 -0.001 0.000 0.794 23 P CB 0.941 32.623 31.700 -0.030 0.000 0.955 24 L N 3.019 124.254 121.223 0.019 0.000 2.360 24 L HA 0.433 4.778 4.340 0.008 0.000 0.271 24 L C -1.804 175.058 176.870 -0.014 0.000 1.057 24 L CA -2.203 52.647 54.840 0.015 0.000 0.803 24 L CB 0.129 42.218 42.059 0.049 0.000 1.207 24 L HN 0.231 nan 8.230 nan 0.000 0.445 25 P HA 0.078 nan 4.420 nan 0.000 0.269 25 P C -0.835 176.404 177.300 -0.102 0.000 1.211 25 P CA -0.162 62.871 63.100 -0.111 0.000 0.781 25 P CB 0.546 32.151 31.700 -0.159 0.000 0.877 26 V N -1.140 118.653 119.914 -0.202 0.000 3.001 26 V HA 0.573 4.698 4.120 0.008 0.000 0.314 26 V C -1.356 174.568 176.094 -0.283 0.000 1.099 26 V CA -1.040 61.188 62.300 -0.120 0.000 0.989 26 V CB 1.733 33.441 31.823 -0.192 0.000 1.040 26 V HN 0.317 nan 8.190 nan 0.000 0.434 27 Y N 2.240 122.528 120.300 -0.020 0.000 2.341 27 Y HA 0.667 5.222 4.550 0.008 0.000 0.337 27 Y C -2.067 173.767 175.900 -0.110 0.000 1.014 27 Y CA -2.158 55.913 58.100 -0.049 0.000 1.111 27 Y CB 1.949 40.397 38.460 -0.020 0.000 1.194 27 Y HN 0.533 nan 8.280 nan 0.000 0.462 28 P HA 0.143 nan 4.420 nan 0.000 0.280 28 P C -0.897 176.375 177.300 -0.047 0.000 1.300 28 P CA -0.034 63.055 63.100 -0.020 0.000 0.785 28 P CB 0.942 32.632 31.700 -0.018 0.000 0.874 29 V N 4.987 124.844 119.914 -0.094 0.000 2.370 29 V HA 0.095 4.220 4.120 0.008 0.000 0.279 29 V C 1.583 177.612 176.094 -0.109 0.000 1.029 29 V CA -0.229 61.985 62.300 -0.143 0.000 0.870 29 V CB 1.625 33.303 31.823 -0.242 0.000 0.984 29 V HN 0.475 nan 8.190 nan 0.000 0.451 30 V N 1.975 121.830 119.914 -0.098 0.000 3.379 30 V HA 0.398 4.523 4.120 0.008 0.000 0.249 30 V C 0.640 176.684 176.094 -0.083 0.000 1.184 30 V CA 1.025 63.280 62.300 -0.074 0.000 1.106 30 V CB 0.389 32.179 31.823 -0.054 0.000 0.826 30 V HN 0.857 nan 8.190 nan 0.000 0.465 31 S N -0.843 114.793 115.700 -0.108 0.000 2.727 31 S HA 0.902 5.377 4.470 0.008 0.000 0.278 31 S C -0.820 173.684 174.600 -0.159 0.000 1.186 31 S CA -0.177 57.959 58.200 -0.107 0.000 0.836 31 S CB 1.472 64.629 63.200 -0.071 0.000 1.186 31 S HN 1.932 nan 8.310 nan 0.000 0.499 32 A N 0.596 123.333 122.820 -0.139 0.000 2.555 32 A HA 0.755 5.080 4.320 0.008 0.000 0.297 32 A C -1.452 176.099 177.584 -0.055 0.000 1.060 32 A CA -0.624 51.295 52.037 -0.197 0.000 0.710 32 A CB 1.182 19.908 19.000 -0.456 0.000 1.282 32 A HN 1.137 nan 8.150 nan 0.000 0.399 33 E N 1.612 121.800 120.200 -0.019 0.000 2.343 33 E HA 0.642 4.997 4.350 0.008 0.000 0.278 33 E C 0.467 177.119 176.600 0.087 0.000 0.910 33 E CA -0.689 55.743 56.400 0.053 0.000 0.757 33 E CB 1.508 31.215 29.700 0.013 0.000 1.218 33 E HN 2.256 nan 8.360 nan 0.000 0.435 34 G N 1.300 110.165 108.800 0.109 0.000 2.591 34 G HA2 -0.400 3.565 3.960 0.008 0.000 0.298 34 G HA3 -0.400 3.565 3.960 0.008 0.000 0.298 34 G C 0.481 175.484 174.900 0.170 0.000 1.195 34 G CA 0.249 45.409 45.100 0.101 0.000 0.989 34 G HN 0.853 nan 8.290 nan 0.000 0.551 35 C N 2.376 121.754 119.300 0.131 0.000 2.563 35 C HA 0.665 5.130 4.460 0.008 0.000 0.307 35 C C 0.522 175.581 174.990 0.115 0.000 1.371 35 C CA 0.045 59.155 59.018 0.153 0.000 1.772 35 C CB -2.034 25.762 27.740 0.094 0.000 2.283 35 C HN 0.451 nan 8.230 nan 0.000 0.570 36 E N 0.099 120.344 120.200 0.074 0.000 2.312 36 E HA 0.616 4.971 4.350 0.008 0.000 0.267 36 E C -1.232 175.274 176.600 -0.157 0.000 0.894 36 E CA -0.472 55.912 56.400 -0.026 0.000 0.773 36 E CB 1.812 31.496 29.700 -0.026 0.000 1.241 36 E HN 0.272 nan 8.360 nan 0.000 0.432 37 L N 2.351 123.450 121.223 -0.207 0.000 2.334 37 L HA 0.577 4.922 4.340 0.008 0.000 0.276 37 L C -0.644 176.108 176.870 -0.197 0.000 1.014 37 L CA -0.791 53.868 54.840 -0.303 0.000 0.815 37 L CB 1.238 43.048 42.059 -0.414 0.000 1.268 37 L HN 0.379 nan 8.230 nan 0.000 0.428 38 I N 3.616 124.075 120.570 -0.184 0.000 2.355 38 I HA 0.331 4.506 4.170 0.008 0.000 0.288 38 I C -0.220 175.831 176.117 -0.110 0.000 0.999 38 I CA -0.359 60.870 61.300 -0.119 0.000 1.163 38 I CB 1.393 39.338 38.000 -0.093 0.000 1.316 38 I HN 0.372 nan 8.210 nan 0.000 0.454 39 L N 4.471 125.648 121.223 -0.078 0.000 2.439 39 L HA 0.296 4.641 4.340 0.008 0.000 0.261 39 L C 1.665 178.515 176.870 -0.034 0.000 1.153 39 L CA -0.370 54.441 54.840 -0.049 0.000 0.808 39 L CB 0.909 42.969 42.059 0.002 0.000 1.126 39 L HN 0.725 nan 8.230 nan 0.000 0.460 40 S N -0.426 115.259 115.700 -0.026 0.000 2.419 40 S HA -0.216 4.259 4.470 0.008 0.000 0.235 40 S C 1.193 175.785 174.600 -0.013 0.000 1.019 40 S CA 1.200 59.387 58.200 -0.022 0.000 0.982 40 S CB -0.493 62.696 63.200 -0.019 0.000 0.789 40 S HN 0.899 nan 8.310 nan 0.000 0.490 41 D N 0.785 121.183 120.400 -0.003 0.000 2.336 41 D HA 0.167 4.812 4.640 0.008 0.000 0.229 41 D C 1.400 177.697 176.300 -0.004 0.000 1.061 41 D CA 0.712 54.712 54.000 0.001 0.000 0.875 41 D CB -0.488 40.320 40.800 0.014 0.000 0.904 41 D HN 0.598 nan 8.370 nan 0.000 0.525 42 G N 0.977 109.770 108.800 -0.013 0.000 2.217 42 G HA2 -0.349 3.616 3.960 0.008 0.000 0.246 42 G HA3 -0.349 3.616 3.960 0.008 0.000 0.246 42 G C 0.476 175.365 174.900 -0.019 0.000 0.990 42 G CA 0.210 45.299 45.100 -0.017 0.000 0.627 42 G HN 0.644 nan 8.290 nan 0.000 0.522 43 R N 1.006 121.497 120.500 -0.014 0.000 2.679 43 R HA 0.519 4.864 4.340 0.008 0.000 0.268 43 R C 0.326 176.606 176.300 -0.033 0.000 1.044 43 R CA 0.314 56.403 56.100 -0.017 0.000 1.105 43 R CB 0.199 30.496 30.300 -0.004 0.000 0.989 43 R HN 0.397 nan 8.270 nan 0.000 0.447 44 R N 4.641 125.121 120.500 -0.034 0.000 2.360 44 R HA 0.332 4.677 4.340 0.008 0.000 0.318 44 R C -0.814 175.461 176.300 -0.041 0.000 0.950 44 R CA -0.578 55.495 56.100 -0.044 0.000 0.837 44 R CB 1.174 31.452 30.300 -0.037 0.000 1.165 44 R HN 0.443 nan 8.270 nan 0.000 0.458 45 L N 3.614 124.807 121.223 -0.050 0.000 2.312 45 L HA 0.402 4.747 4.340 0.008 0.000 0.281 45 L C 0.653 177.510 176.870 -0.020 0.000 1.070 45 L CA -1.210 53.614 54.840 -0.027 0.000 0.805 45 L CB 1.188 43.253 42.059 0.010 0.000 1.174 45 L HN 0.355 nan 8.230 nan 0.000 0.434 46 V N -1.096 118.809 119.914 -0.014 0.000 2.614 46 V HA 0.186 4.311 4.120 0.008 0.000 0.291 46 V C -0.132 175.974 176.094 0.020 0.000 1.049 46 V CA -0.560 61.739 62.300 -0.002 0.000 1.038 46 V CB 1.268 33.084 31.823 -0.011 0.000 0.980 46 V HN 0.759 nan 8.190 nan 0.000 0.481 47 D N 3.832 124.264 120.400 0.052 0.000 2.317 47 D HA 0.512 5.157 4.640 0.008 0.000 0.252 47 D C 0.959 177.290 176.300 0.052 0.000 1.174 47 D CA 0.663 54.723 54.000 0.099 0.000 0.866 47 D CB 1.484 42.399 40.800 0.191 0.000 1.127 47 D HN 0.793 nan 8.370 nan 0.000 0.467 48 G N 2.925 111.726 108.800 0.003 0.000 3.020 48 G HA2 -0.014 3.951 3.960 0.008 0.000 0.217 48 G HA3 -0.014 3.951 3.960 0.008 0.000 0.217 48 G C 0.916 175.753 174.900 -0.105 0.000 1.144 48 G CA -0.037 45.003 45.100 -0.101 0.000 0.760 48 G HN 0.429 nan 8.290 nan 0.000 0.548 49 M N 0.082 119.666 119.600 -0.027 0.000 2.379 49 M HA 0.263 4.748 4.480 0.008 0.000 0.265 49 M C 1.328 177.633 176.300 0.008 0.000 1.095 49 M CA -0.013 55.260 55.300 -0.045 0.000 1.075 49 M CB -0.077 32.503 32.600 -0.033 0.000 1.443 49 M HN 0.098 nan 8.290 nan 0.000 0.519 50 S N 1.136 116.867 115.700 0.052 0.000 3.587 50 S HA -0.157 4.318 4.470 0.008 0.000 0.337 50 S C 0.590 175.238 174.600 0.080 0.000 1.119 50 S CA 0.680 58.895 58.200 0.025 0.000 0.976 50 S CB -1.909 61.274 63.200 -0.029 0.000 0.922 50 S HN 0.548 nan 8.310 nan 0.000 0.503 51 S N -0.806 114.965 115.700 0.118 0.000 3.614 51 S HA -0.202 4.272 4.470 0.008 0.000 0.360 51 S C 0.073 174.784 174.600 0.184 0.000 1.023 51 S CA 1.081 59.312 58.200 0.052 0.000 1.114 51 S CB -1.425 61.866 63.200 0.153 0.000 0.907 51 S HN 1.037 nan 8.310 nan 0.000 0.470 52 W N -1.951 119.432 121.300 0.138 0.000 3.905 52 W HA -0.203 4.462 4.660 0.007 0.000 0.439 52 W C 0.491 177.198 176.519 0.314 0.000 1.757 52 W CA 0.350 57.796 57.345 0.169 0.000 0.661 52 W CB -2.575 27.053 29.460 0.279 0.000 2.905 52 W HN 0.766 nan 8.180 nan 0.000 0.803 53 W N -2.727 118.744 121.300 0.284 0.000 0.780 53 W HA -0.412 4.253 4.660 0.008 0.000 0.218 53 W C 2.027 178.581 176.519 0.060 0.000 0.923 53 W CA 3.142 60.585 57.345 0.164 0.000 0.346 53 W CB -2.254 27.302 29.460 0.160 0.000 1.917 53 W HN 0.434 nan 8.180 nan 0.000 1.347 54 A N 0.407 123.404 122.820 0.294 0.000 1.883 54 A HA 0.251 4.576 4.320 0.008 0.000 0.217 54 A C 1.649 179.190 177.584 -0.071 0.000 1.186 54 A CA 2.308 54.419 52.037 0.123 0.000 0.624 54 A CB -1.086 18.005 19.000 0.153 0.000 0.822 54 A HN 0.918 nan 8.150 nan 0.000 0.444 55 A N 0.517 123.256 122.820 -0.134 0.000 3.118 55 A HA 0.468 4.793 4.320 0.008 0.000 0.256 55 A C 1.129 178.457 177.584 -0.428 0.000 1.667 55 A CA 0.060 51.894 52.037 -0.339 0.000 1.338 55 A CB -1.185 17.464 19.000 -0.585 0.000 1.127 55 A HN 0.774 nan 8.150 nan 0.000 0.634 56 I N -3.022 117.211 120.570 -0.561 0.000 3.001 56 I HA -0.070 4.105 4.170 0.008 0.000 0.268 56 I C 0.864 176.478 176.117 -0.837 0.000 1.267 56 I CA 0.969 61.717 61.300 -0.920 0.000 1.472 56 I CB -0.345 36.795 38.000 -1.434 0.000 1.089 56 I HN 0.448 nan 8.210 nan 0.000 0.468 57 H N 1.611 120.459 119.070 -0.370 0.000 2.594 57 H HA 0.438 4.998 4.556 0.008 0.000 0.279 57 H C 1.347 176.607 175.328 -0.114 0.000 1.042 57 H CA 0.413 56.336 56.048 -0.209 0.000 1.177 57 H CB 0.261 29.840 29.762 -0.304 0.000 1.524 57 H HN 0.518 nan 8.280 nan 0.000 0.537 58 G N 0.758 109.441 108.800 -0.195 0.000 2.632 58 G HA2 -0.256 3.709 3.960 0.008 0.000 0.224 58 G HA3 -0.256 3.709 3.960 0.008 0.000 0.224 58 G C -1.167 173.476 174.900 -0.429 0.000 1.341 58 G CA -0.529 44.427 45.100 -0.241 0.000 0.880 58 G HN 0.293 nan 8.290 nan 0.000 0.566 59 Y N -0.169 120.160 120.300 0.047 0.000 2.524 59 Y HA 0.671 5.226 4.550 0.008 0.000 0.344 59 Y C 1.167 177.090 175.900 0.039 0.000 1.012 59 Y CA -0.300 57.818 58.100 0.029 0.000 1.068 59 Y CB 1.751 40.204 38.460 -0.012 0.000 1.249 59 Y HN 0.773 nan 8.280 nan 0.000 0.468 60 N N 1.190 120.000 118.700 0.183 0.000 2.708 60 N HA -0.289 4.456 4.740 0.008 0.000 0.249 60 N C -0.550 175.016 175.510 0.093 0.000 1.097 60 N CA 0.656 53.770 53.050 0.107 0.000 0.710 60 N CB -1.258 37.273 38.487 0.074 0.000 1.032 60 N HN 0.954 nan 8.380 nan 0.000 0.551 61 H N 0.146 119.224 119.070 0.014 0.000 2.928 61 H HA 0.075 4.636 4.556 0.008 0.000 0.338 61 H C -1.125 174.189 175.328 -0.023 0.000 1.047 61 H CA -0.455 55.585 56.048 -0.013 0.000 1.435 61 H CB 1.030 30.767 29.762 -0.041 0.000 1.428 61 H HN 0.090 nan 8.280 nan 0.000 0.590 62 P HA -0.136 nan 4.420 nan 0.000 0.216 62 P C 1.074 178.425 177.300 0.085 0.000 1.153 62 P CA 1.230 64.323 63.100 -0.012 0.000 0.844 62 P CB 0.265 31.912 31.700 -0.088 0.000 0.787 63 Q N -0.750 119.188 119.800 0.229 0.000 2.077 63 Q HA -0.167 4.178 4.340 0.008 0.000 0.206 63 Q C 2.118 178.157 176.000 0.064 0.000 0.989 63 Q CA 1.306 57.203 55.803 0.156 0.000 0.853 63 Q CB -0.771 28.065 28.738 0.162 0.000 0.907 63 Q HN 0.132 nan 8.270 nan 0.000 0.418 64 L N 1.080 122.344 121.223 0.068 0.000 2.012 64 L HA -0.221 4.124 4.340 0.008 0.000 0.210 64 L C 1.925 178.802 176.870 0.011 0.000 1.073 64 L CA 1.611 56.441 54.840 -0.016 0.000 0.748 64 L CB -0.849 41.194 42.059 -0.028 0.000 0.891 64 L HN 0.227 nan 8.230 nan 0.000 0.431 65 N N -0.305 118.418 118.700 0.039 0.000 2.069 65 N HA -0.168 4.577 4.740 0.008 0.000 0.191 65 N C 1.835 177.351 175.510 0.011 0.000 1.031 65 N CA 1.644 54.707 53.050 0.023 0.000 0.852 65 N CB -0.420 38.082 38.487 0.025 0.000 1.018 65 N HN 0.393 nan 8.380 nan 0.000 0.423 66 A N 0.846 123.674 122.820 0.013 0.000 1.898 66 A HA 0.091 4.416 4.320 0.008 0.000 0.216 66 A C 2.359 179.942 177.584 -0.002 0.000 1.181 66 A CA 1.795 53.835 52.037 0.005 0.000 0.620 66 A CB -0.776 18.227 19.000 0.006 0.000 0.819 66 A HN 0.318 nan 8.150 nan 0.000 0.442 67 A N -0.394 122.422 122.820 -0.006 0.000 1.933 67 A HA -0.133 4.192 4.320 0.008 0.000 0.218 67 A C 2.263 179.839 177.584 -0.014 0.000 1.175 67 A CA 1.797 53.826 52.037 -0.013 0.000 0.628 67 A CB -0.544 18.440 19.000 -0.026 0.000 0.814 67 A HN 0.530 nan 8.150 nan 0.000 0.444 68 M N -0.657 118.936 119.600 -0.012 0.000 2.067 68 M HA -0.160 4.325 4.480 0.008 0.000 0.260 68 M C 2.131 178.426 176.300 -0.009 0.000 1.069 68 M CA 1.724 57.016 55.300 -0.012 0.000 1.117 68 M CB -0.525 32.069 32.600 -0.009 0.000 1.334 68 M HN 0.341 nan 8.290 nan 0.000 0.407 69 K N -0.328 120.069 120.400 -0.006 0.000 2.097 69 K HA -0.040 4.285 4.320 0.008 0.000 0.205 69 K C 2.170 178.767 176.600 -0.006 0.000 1.050 69 K CA 1.207 57.491 56.287 -0.005 0.000 0.938 69 K CB -0.137 32.361 32.500 -0.003 0.000 0.718 69 K HN 0.185 nan 8.250 nan 0.000 0.442 70 S N 1.218 116.914 115.700 -0.006 0.000 2.368 70 S HA -0.174 4.301 4.470 0.008 0.000 0.225 70 S C 1.949 176.543 174.600 -0.009 0.000 1.030 70 S CA 1.258 59.454 58.200 -0.006 0.000 0.999 70 S CB -0.115 63.082 63.200 -0.005 0.000 0.844 70 S HN 0.239 nan 8.310 nan 0.000 0.459 71 Q N 1.333 121.125 119.800 -0.013 0.000 2.119 71 Q HA 0.083 4.428 4.340 0.008 0.000 0.201 71 Q C 1.778 177.767 176.000 -0.019 0.000 0.972 71 Q CA 1.338 57.129 55.803 -0.020 0.000 0.847 71 Q CB -0.521 28.201 28.738 -0.026 0.000 0.903 71 Q HN 0.585 nan 8.270 nan 0.000 0.433 72 I N 0.641 121.204 120.570 -0.012 0.000 2.335 72 I HA -0.263 3.912 4.170 0.008 0.000 0.251 72 I C 1.133 177.247 176.117 -0.005 0.000 1.129 72 I CA 1.254 62.550 61.300 -0.006 0.000 1.402 72 I CB -0.266 37.732 38.000 -0.003 0.000 1.069 72 I HN 0.170 nan 8.210 nan 0.000 0.424 73 D N 0.817 121.213 120.400 -0.006 0.000 2.224 73 D HA -0.047 4.598 4.640 0.008 0.000 0.205 73 D C 2.149 178.446 176.300 -0.006 0.000 0.965 73 D CA 1.187 55.185 54.000 -0.004 0.000 0.852 73 D CB 0.063 40.861 40.800 -0.004 0.000 0.947 73 D HN 0.348 nan 8.370 nan 0.000 0.494 74 A N 0.249 123.063 122.820 -0.010 0.000 1.911 74 A HA 0.282 4.607 4.320 0.008 0.000 0.212 74 A C 0.914 178.487 177.584 -0.019 0.000 1.189 74 A CA 0.901 52.930 52.037 -0.013 0.000 0.639 74 A CB -0.099 18.892 19.000 -0.016 0.000 0.839 74 A HN 0.324 nan 8.150 nan 0.000 0.449 75 M N -2.797 116.788 119.600 -0.024 0.000 2.377 75 M HA 0.116 4.601 4.480 0.008 0.000 0.219 75 M C -0.105 176.177 176.300 -0.029 0.000 0.869 75 M CA 0.276 55.561 55.300 -0.025 0.000 0.798 75 M CB -0.034 32.541 32.600 -0.043 0.000 2.124 75 M HN 0.194 nan 8.290 nan 0.000 0.538 76 S N -0.335 115.372 115.700 0.012 0.000 2.501 76 S HA 0.191 4.666 4.470 0.008 0.000 0.220 76 S C 0.190 174.852 174.600 0.104 0.000 0.997 76 S CA 1.070 59.287 58.200 0.029 0.000 0.919 76 S CB -0.215 63.006 63.200 0.034 0.000 0.778 76 S HN 0.961 nan 8.310 nan 0.000 0.523 77 H N -1.028 118.038 119.070 -0.007 0.000 3.085 77 H HA 0.707 5.268 4.556 0.008 0.000 0.356 77 H C -1.823 173.513 175.328 0.013 0.000 1.178 77 H CA -0.501 55.562 56.048 0.025 0.000 1.214 77 H CB 2.003 31.855 29.762 0.150 0.000 1.881 77 H HN 0.080 nan 8.280 nan 0.000 0.538 78 V N 6.166 125.608 119.914 -0.787 0.000 2.969 78 V HA 0.326 4.451 4.120 0.008 0.000 0.304 78 V C -0.289 175.489 176.094 -0.527 0.000 1.192 78 V CA -0.872 61.144 62.300 -0.473 0.000 0.962 78 V CB 1.862 33.578 31.823 -0.177 0.000 1.045 78 V HN 1.010 nan 8.190 nan 0.000 0.428 79 M N 4.034 123.497 119.600 -0.228 0.000 2.252 79 M HA 0.267 4.752 4.480 0.008 0.000 0.329 79 M C -0.278 176.100 176.300 0.130 0.000 1.101 79 M CA 0.803 56.081 55.300 -0.037 0.000 1.117 79 M CB 0.169 32.771 32.600 0.004 0.000 1.563 79 M HN 0.618 nan 8.290 nan 0.000 0.445 80 F N 1.279 121.219 119.950 -0.018 0.000 2.721 80 F HA 0.439 4.971 4.527 0.008 0.000 0.301 80 F C 0.963 176.751 175.800 -0.021 0.000 1.096 80 F CA -0.512 57.484 58.000 -0.006 0.000 1.308 80 F CB 0.466 39.468 39.000 0.003 0.000 1.086 80 F HN 0.755 nan 8.300 nan 0.000 0.587 81 G N 0.924 109.758 108.800 0.056 0.000 2.716 81 G HA2 0.427 4.392 3.960 0.008 0.000 0.333 81 G HA3 0.427 4.392 3.960 0.008 0.000 0.333 81 G C -1.006 173.875 174.900 -0.032 0.000 1.168 81 G CA -0.135 44.955 45.100 -0.017 0.000 1.064 81 G HN 0.055 nan 8.290 nan 0.000 0.479 82 E N 2.031 122.192 120.200 -0.065 0.000 2.518 82 E HA 0.475 4.830 4.350 0.008 0.000 0.240 82 E C -0.602 175.911 176.600 -0.144 0.000 0.996 82 E CA -0.253 56.066 56.400 -0.136 0.000 0.768 82 E CB 1.122 30.750 29.700 -0.120 0.000 1.329 82 E HN 0.440 nan 8.360 nan 0.000 0.408 83 I N 0.807 121.276 120.570 -0.168 0.000 2.740 83 I HA 0.520 4.695 4.170 0.008 0.000 0.303 83 I C 0.153 176.145 176.117 -0.208 0.000 1.044 83 I CA -0.499 60.737 61.300 -0.107 0.000 1.064 83 I CB 2.411 40.413 38.000 0.004 0.000 1.249 83 I HN 0.222 nan 8.210 nan 0.000 0.433 84 T N 3.006 117.487 114.554 -0.121 0.000 2.864 84 T HA 0.645 5.000 4.350 0.008 0.000 0.289 84 T C -1.569 173.161 174.700 0.050 0.000 1.082 84 T CA -0.430 61.579 62.100 -0.152 0.000 1.009 84 T CB 1.113 69.854 68.868 -0.211 0.000 1.234 84 T HN 0.791 nan 8.240 nan 0.000 0.526 85 H N -1.161 117.997 119.070 0.146 0.000 3.003 85 H HA 0.594 5.155 4.556 0.008 0.000 0.327 85 H C 0.545 175.923 175.328 0.084 0.000 1.353 85 H CA -0.436 55.670 56.048 0.096 0.000 1.142 85 H CB 0.976 30.793 29.762 0.092 0.000 1.864 85 H HN 0.663 nan 8.280 nan 0.000 0.529 86 A N 1.032 123.993 122.820 0.235 0.000 1.877 86 A HA -0.010 4.315 4.320 0.008 0.000 0.216 86 A C -0.603 177.075 177.584 0.156 0.000 1.186 86 A CA 1.761 53.881 52.037 0.139 0.000 0.620 86 A CB -1.743 17.311 19.000 0.091 0.000 0.822 86 A HN 0.576 nan 8.150 nan 0.000 0.443 87 P HA -0.198 nan 4.420 nan 0.000 0.214 87 P C 1.828 179.233 177.300 0.175 0.000 1.163 87 P CA 2.215 65.415 63.100 0.168 0.000 0.889 87 P CB -0.207 31.571 31.700 0.130 0.000 0.790 88 A N -0.538 122.442 122.820 0.266 0.000 1.873 88 A HA -0.236 4.089 4.320 0.008 0.000 0.218 88 A C 2.287 179.895 177.584 0.039 0.000 1.193 88 A CA 1.932 53.987 52.037 0.031 0.000 0.629 88 A CB -1.730 17.112 19.000 -0.263 0.000 0.826 88 A HN 0.094 nan 8.150 nan 0.000 0.447 89 I N -0.890 119.704 120.570 0.041 0.000 2.091 89 I HA -0.284 3.891 4.170 0.008 0.000 0.239 89 I C 2.567 178.709 176.117 0.042 0.000 1.061 89 I CA 1.976 63.299 61.300 0.038 0.000 1.317 89 I CB -0.498 37.520 38.000 0.031 0.000 1.031 89 I HN 0.283 nan 8.210 nan 0.000 0.401 90 E N 0.514 120.743 120.200 0.048 0.000 2.204 90 E HA -0.207 4.148 4.350 0.008 0.000 0.195 90 E C 1.813 178.436 176.600 0.039 0.000 0.990 90 E CA 0.820 57.245 56.400 0.041 0.000 0.821 90 E CB -0.247 29.476 29.700 0.039 0.000 0.750 90 E HN 0.311 nan 8.360 nan 0.000 0.477 91 L N -0.473 120.773 121.223 0.039 0.000 2.044 91 L HA -0.130 4.215 4.340 0.008 0.000 0.205 91 L C 1.890 178.787 176.870 0.044 0.000 1.075 91 L CA 1.594 56.454 54.840 0.033 0.000 0.747 91 L CB -0.471 41.601 42.059 0.022 0.000 0.903 91 L HN 0.166 nan 8.230 nan 0.000 0.435 92 C N -0.645 118.681 119.300 0.043 0.000 2.446 92 C HA -0.023 4.442 4.460 0.008 0.000 0.279 92 C C 2.762 177.781 174.990 0.049 0.000 1.366 92 C CA 0.248 59.294 59.018 0.048 0.000 1.763 92 C CB -1.130 26.638 27.740 0.046 0.000 1.929 92 C HN 0.484 nan 8.230 nan 0.000 0.509 93 R N 1.289 121.815 120.500 0.045 0.000 2.083 93 R HA -0.124 4.221 4.340 0.008 0.000 0.237 93 R C 2.294 178.627 176.300 0.055 0.000 1.137 93 R CA 1.324 57.450 56.100 0.043 0.000 0.951 93 R CB -0.106 30.217 30.300 0.038 0.000 0.851 93 R HN 0.583 nan 8.270 nan 0.000 0.434 94 K N 0.174 120.611 120.400 0.062 0.000 2.007 94 K HA -0.123 4.202 4.320 0.008 0.000 0.206 94 K C 2.115 178.784 176.600 0.116 0.000 1.047 94 K CA 0.812 57.147 56.287 0.080 0.000 0.937 94 K CB -0.326 32.215 32.500 0.069 0.000 0.718 94 K HN 0.027 nan 8.250 nan 0.000 0.438 95 L N 1.334 122.631 121.223 0.123 0.000 1.978 95 L HA -0.222 4.123 4.340 0.008 0.000 0.218 95 L C 2.468 179.406 176.870 0.113 0.000 1.075 95 L CA 1.488 56.423 54.840 0.158 0.000 0.767 95 L CB -1.007 41.127 42.059 0.126 0.000 0.890 95 L HN -0.062 nan 8.230 nan 0.000 0.434 96 V N -0.547 119.409 119.914 0.069 0.000 2.287 96 V HA -0.327 3.798 4.120 0.008 0.000 0.248 96 V C 2.684 178.812 176.094 0.057 0.000 1.053 96 V CA 1.714 64.040 62.300 0.042 0.000 1.027 96 V CB -1.210 30.631 31.823 0.030 0.000 0.646 96 V HN 0.554 nan 8.190 nan 0.000 0.447 97 A N 0.912 123.775 122.820 0.072 0.000 1.883 97 A HA -0.270 4.054 4.320 0.008 0.000 0.217 97 A C 2.265 179.914 177.584 0.109 0.000 1.186 97 A CA 2.514 54.597 52.037 0.077 0.000 0.624 97 A CB -0.549 18.495 19.000 0.074 0.000 0.822 97 A HN 0.687 nan 8.150 nan 0.000 0.444 98 M N -0.280 119.416 119.600 0.160 0.000 2.562 98 M HA 0.043 4.528 4.480 0.008 0.000 0.257 98 M C 0.709 177.199 176.300 0.316 0.000 1.099 98 M CA 1.191 56.633 55.300 0.237 0.000 1.099 98 M CB -0.925 31.848 32.600 0.289 0.000 1.427 98 M HN 0.367 nan 8.290 nan 0.000 0.489 99 T N -0.763 113.899 114.554 0.180 0.000 2.927 99 T HA 0.606 4.961 4.350 0.008 0.000 0.281 99 T C -2.706 172.000 174.700 0.009 0.000 0.998 99 T CA -1.885 60.230 62.100 0.026 0.000 1.019 99 T CB 0.692 69.444 68.868 -0.192 0.000 1.061 99 T HN -0.009 nan 8.240 nan 0.000 0.518 100 P HA 0.048 nan 4.420 nan 0.000 0.264 100 P C 0.768 178.053 177.300 -0.025 0.000 1.179 100 P CA 0.031 63.118 63.100 -0.021 0.000 0.763 100 P CB 0.338 32.008 31.700 -0.049 0.000 0.806 101 Q N 4.517 124.312 119.800 -0.008 0.000 2.103 101 Q HA -0.222 4.123 4.340 0.008 0.000 0.213 101 Q C -0.637 175.350 176.000 -0.022 0.000 1.008 101 Q CA 2.030 57.828 55.803 -0.008 0.000 0.879 101 Q CB -2.358 26.378 28.738 -0.003 0.000 0.946 101 Q HN 0.534 nan 8.270 nan 0.000 0.413 102 P HA -0.069 nan 4.420 nan 0.000 0.225 102 P C -0.399 176.868 177.300 -0.055 0.000 1.148 102 P CA 0.953 64.028 63.100 -0.041 0.000 0.779 102 P CB 0.080 31.752 31.700 -0.048 0.000 0.780 103 L N 1.108 122.292 121.223 -0.064 0.000 2.312 103 L HA 0.196 4.541 4.340 0.008 0.000 0.287 103 L C 1.019 177.858 176.870 -0.052 0.000 1.091 103 L CA 0.156 54.949 54.840 -0.078 0.000 0.846 103 L CB 0.021 42.010 42.059 -0.118 0.000 1.219 103 L HN 0.096 nan 8.230 nan 0.000 0.439 104 E N 0.465 120.640 120.200 -0.041 0.000 2.702 104 E HA 0.179 4.534 4.350 0.008 0.000 0.225 104 E C -0.367 176.225 176.600 -0.013 0.000 0.942 104 E CA -0.337 56.051 56.400 -0.020 0.000 1.210 104 E CB 0.479 30.171 29.700 -0.013 0.000 1.143 104 E HN 0.399 nan 8.360 nan 0.000 0.544 105 C N 1.701 120.986 119.300 -0.024 0.000 2.322 105 C HA 0.681 5.145 4.460 0.008 0.000 0.324 105 C C -0.040 174.952 174.990 0.004 0.000 1.284 105 C CA -0.643 58.370 59.018 -0.009 0.000 1.606 105 C CB 0.955 28.680 27.740 -0.024 0.000 2.251 105 C HN 0.196 nan 8.230 nan 0.000 0.502 106 V N 3.411 123.351 119.914 0.044 0.000 2.531 106 V HA 0.464 4.589 4.120 0.008 0.000 0.301 106 V C -0.803 175.373 176.094 0.137 0.000 1.034 106 V CA -0.422 61.919 62.300 0.068 0.000 0.865 106 V CB 1.629 33.482 31.823 0.050 0.000 0.995 106 V HN 0.736 nan 8.190 nan 0.000 0.424 107 F N 5.386 125.340 119.950 0.007 0.000 2.403 107 F HA 0.630 5.162 4.527 0.008 0.000 0.355 107 F C -0.207 175.625 175.800 0.054 0.000 1.119 107 F CA -0.548 57.487 58.000 0.058 0.000 1.007 107 F CB 1.008 40.034 39.000 0.043 0.000 1.194 107 F HN 0.332 nan 8.300 nan 0.000 0.443 108 L N 6.082 127.205 121.223 -0.167 0.000 2.349 108 L HA 0.705 5.050 4.340 0.008 0.000 0.275 108 L C 0.192 177.016 176.870 -0.076 0.000 1.115 108 L CA -0.276 54.504 54.840 -0.100 0.000 0.820 108 L CB 0.825 42.782 42.059 -0.170 0.000 1.135 108 L HN 0.749 nan 8.230 nan 0.000 0.445 109 A N 2.054 124.917 122.820 0.072 0.000 2.525 109 A HA 0.548 4.873 4.320 0.008 0.000 0.291 109 A C -0.416 177.224 177.584 0.094 0.000 1.268 109 A CA -0.488 51.634 52.037 0.141 0.000 0.712 109 A CB 0.984 20.141 19.000 0.261 0.000 1.320 109 A HN 0.738 nan 8.150 nan 0.000 0.456 110 D N -0.130 120.335 120.400 0.108 0.000 2.277 110 D HA 0.202 4.847 4.640 0.008 0.000 0.209 110 D C 0.886 177.217 176.300 0.050 0.000 0.970 110 D CA 1.222 55.263 54.000 0.068 0.000 0.874 110 D CB 0.136 40.981 40.800 0.074 0.000 0.982 110 D HN 0.579 nan 8.370 nan 0.000 0.504 111 S N -1.435 114.300 115.700 0.058 0.000 2.732 111 S HA 0.591 5.066 4.470 0.008 0.000 0.293 111 S C 1.291 175.914 174.600 0.039 0.000 1.159 111 S CA -0.557 57.671 58.200 0.046 0.000 0.847 111 S CB 1.292 64.516 63.200 0.040 0.000 1.169 111 S HN 0.022 nan 8.310 nan 0.000 0.501 112 G N 0.975 109.794 108.800 0.032 0.000 2.418 112 G HA2 -0.097 3.868 3.960 0.008 0.000 0.217 112 G HA3 -0.097 3.868 3.960 0.008 0.000 0.217 112 G C 1.297 176.181 174.900 -0.027 0.000 1.158 112 G CA 1.097 46.201 45.100 0.006 0.000 0.771 112 G HN 0.658 nan 8.290 nan 0.000 0.545 113 S N -0.122 115.561 115.700 -0.028 0.000 2.356 113 S HA -0.106 4.369 4.470 0.008 0.000 0.223 113 S C 2.568 177.143 174.600 -0.042 0.000 1.032 113 S CA 1.183 59.349 58.200 -0.056 0.000 1.005 113 S CB -0.308 62.862 63.200 -0.050 0.000 0.867 113 S HN 0.182 nan 8.310 nan 0.000 0.449 114 V N 2.149 122.060 119.914 -0.004 0.000 2.332 114 V HA -0.244 3.881 4.120 0.008 0.000 0.248 114 V C 2.612 178.686 176.094 -0.033 0.000 1.055 114 V CA 1.811 64.122 62.300 0.017 0.000 1.038 114 V CB -1.231 30.643 31.823 0.085 0.000 0.651 114 V HN 0.548 nan 8.190 nan 0.000 0.450 115 A N -0.484 122.330 122.820 -0.012 0.000 1.969 115 A HA -0.128 4.197 4.320 0.008 0.000 0.218 115 A C 2.341 179.874 177.584 -0.085 0.000 1.169 115 A CA 1.852 53.874 52.037 -0.024 0.000 0.635 115 A CB -0.551 18.455 19.000 0.010 0.000 0.810 115 A HN 0.360 nan 8.150 nan 0.000 0.445 116 V N 0.385 120.242 119.914 -0.095 0.000 2.667 116 V HA -0.162 3.963 4.120 0.008 0.000 0.252 116 V C 2.295 178.291 176.094 -0.164 0.000 1.065 116 V CA 1.768 63.983 62.300 -0.142 0.000 1.083 116 V CB -0.617 31.116 31.823 -0.149 0.000 0.692 116 V HN 0.557 nan 8.190 nan 0.000 0.468 117 E N -0.041 120.080 120.200 -0.132 0.000 2.204 117 E HA -0.118 4.237 4.350 0.008 0.000 0.194 117 E C 2.265 178.786 176.600 -0.132 0.000 0.989 117 E CA 1.012 57.343 56.400 -0.116 0.000 0.824 117 E CB -0.070 29.604 29.700 -0.044 0.000 0.756 117 E HN 0.497 nan 8.360 nan 0.000 0.477 118 V N 1.461 121.256 119.914 -0.199 0.000 2.407 118 V HA -0.167 3.958 4.120 0.008 0.000 0.245 118 V C 2.408 178.417 176.094 -0.141 0.000 1.041 118 V CA 1.544 63.721 62.300 -0.207 0.000 1.040 118 V CB -0.616 31.021 31.823 -0.310 0.000 0.671 118 V HN 0.217 nan 8.190 nan 0.000 0.455 119 A N -0.207 122.519 122.820 -0.158 0.000 1.845 119 A HA -0.255 4.070 4.320 0.008 0.000 0.215 119 A C 2.264 179.810 177.584 -0.062 0.000 1.195 119 A CA 2.260 54.208 52.037 -0.149 0.000 0.616 119 A CB -0.561 18.350 19.000 -0.148 0.000 0.832 119 A HN 0.441 nan 8.150 nan 0.000 0.443 120 M N -0.765 118.789 119.600 -0.076 0.000 2.103 120 M HA -0.273 4.212 4.480 0.008 0.000 0.255 120 M C 2.201 178.614 176.300 0.188 0.000 1.074 120 M CA 2.220 57.510 55.300 -0.017 0.000 1.090 120 M CB -0.442 31.958 32.600 -0.332 0.000 1.325 120 M HN 0.373 nan 8.290 nan 0.000 0.403 121 K N -0.292 120.182 120.400 0.123 0.000 2.103 121 K HA -0.026 4.298 4.320 0.008 0.000 0.204 121 K C 1.900 178.669 176.600 0.282 0.000 1.052 121 K CA 1.157 57.576 56.287 0.220 0.000 0.945 121 K CB -0.104 32.533 32.500 0.229 0.000 0.722 121 K HN 0.354 nan 8.250 nan 0.000 0.443 122 M N 0.306 120.010 119.600 0.173 0.000 2.149 122 M HA -0.194 4.291 4.480 0.008 0.000 0.261 122 M C 2.334 178.655 176.300 0.035 0.000 1.064 122 M CA 1.621 56.903 55.300 -0.029 0.000 1.102 122 M CB -0.336 32.061 32.600 -0.339 0.000 1.369 122 M HN 0.207 nan 8.290 nan 0.000 0.408 123 A N 0.271 123.148 122.820 0.094 0.000 1.929 123 A HA -0.049 4.276 4.320 0.008 0.000 0.216 123 A C 2.052 179.783 177.584 0.246 0.000 1.176 123 A CA 1.114 53.225 52.037 0.124 0.000 0.628 123 A CB -0.655 18.460 19.000 0.192 0.000 0.816 123 A HN 0.432 nan 8.150 nan 0.000 0.444 124 L N -1.077 120.298 121.223 0.254 0.000 2.044 124 L HA -0.180 4.165 4.340 0.008 0.000 0.205 124 L C 2.793 179.786 176.870 0.206 0.000 1.075 124 L CA 1.378 56.360 54.840 0.237 0.000 0.747 124 L CB -0.582 41.599 42.059 0.203 0.000 0.903 124 L HN 0.411 nan 8.230 nan 0.000 0.435 125 Q N -1.003 118.906 119.800 0.181 0.000 2.226 125 Q HA -0.255 4.090 4.340 0.008 0.000 0.204 125 Q C 2.082 178.137 176.000 0.092 0.000 0.975 125 Q CA 1.661 57.548 55.803 0.141 0.000 0.866 125 Q CB -0.114 28.738 28.738 0.190 0.000 0.915 125 Q HN 0.501 nan 8.270 nan 0.000 0.440 126 Y N -1.105 119.146 120.300 -0.081 0.000 2.200 126 Y HA -0.223 4.331 4.550 0.008 0.000 0.290 126 Y C 1.258 176.968 175.900 -0.316 0.000 1.137 126 Y CA 1.533 59.469 58.100 -0.274 0.000 1.163 126 Y CB -0.263 37.919 38.460 -0.463 0.000 0.988 126 Y HN 0.110 nan 8.280 nan 0.000 0.518 127 W N 0.444 121.764 121.300 0.034 0.000 2.576 127 W HA -0.054 4.611 4.660 0.008 0.000 0.270 127 W C 2.348 178.817 176.519 -0.083 0.000 1.255 127 W CA 0.803 58.108 57.345 -0.066 0.000 1.314 127 W CB -0.171 29.290 29.460 0.002 0.000 1.101 127 W HN 0.091 nan 8.180 nan 0.000 0.595 128 D N 0.511 121.000 120.400 0.148 0.000 2.183 128 D HA -0.114 4.531 4.640 0.008 0.000 0.203 128 D C 2.029 178.338 176.300 0.016 0.000 0.969 128 D CA 1.391 55.439 54.000 0.079 0.000 0.842 128 D CB 0.133 40.974 40.800 0.069 0.000 0.957 128 D HN 0.135 nan 8.370 nan 0.000 0.484 129 A N 0.192 122.988 122.820 -0.041 0.000 2.169 129 A HA 0.016 4.341 4.320 0.008 0.000 0.212 129 A C 2.044 179.560 177.584 -0.113 0.000 1.153 129 A CA 0.344 52.336 52.037 -0.075 0.000 0.756 129 A CB -0.064 18.883 19.000 -0.089 0.000 0.813 129 A HN 0.047 nan 8.150 nan 0.000 0.471 130 K N -1.369 118.946 120.400 -0.141 0.000 2.393 130 K HA 0.189 4.514 4.320 0.008 0.000 0.193 130 K C 1.007 177.600 176.600 -0.011 0.000 1.026 130 K CA 0.555 56.761 56.287 -0.135 0.000 1.064 130 K CB 0.083 32.431 32.500 -0.253 0.000 0.833 130 K HN 0.590 nan 8.250 nan 0.000 0.521 131 G N 1.821 110.632 108.800 0.018 0.000 2.159 131 G HA2 -0.262 3.703 3.960 0.008 0.000 0.256 131 G HA3 -0.262 3.703 3.960 0.008 0.000 0.256 131 G C -0.223 174.711 174.900 0.057 0.000 0.977 131 G CA 0.142 45.260 45.100 0.030 0.000 0.652 131 G HN 0.368 nan 8.290 nan 0.000 0.531 132 E N 0.178 120.448 120.200 0.116 0.000 2.216 132 E HA 0.679 5.034 4.350 0.008 0.000 0.279 132 E C 0.394 177.022 176.600 0.047 0.000 0.997 132 E CA 0.097 56.554 56.400 0.095 0.000 0.817 132 E CB 1.221 31.034 29.700 0.188 0.000 1.096 132 E HN 0.657 nan 8.360 nan 0.000 0.393 133 A N 5.055 127.857 122.820 -0.029 0.000 2.774 133 A HA 0.334 4.659 4.320 0.008 0.000 0.326 133 A C -0.514 176.988 177.584 -0.135 0.000 1.478 133 A CA -0.428 51.582 52.037 -0.046 0.000 1.099 133 A CB -0.070 18.913 19.000 -0.029 0.000 1.148 133 A HN 0.549 nan 8.150 nan 0.000 0.519 134 R N 2.068 122.457 120.500 -0.185 0.000 2.407 134 R HA 0.352 4.697 4.340 0.008 0.000 0.298 134 R C -1.276 174.867 176.300 -0.261 0.000 1.166 134 R CA -0.410 55.474 56.100 -0.359 0.000 1.006 134 R CB 1.165 30.968 30.300 -0.828 0.000 1.145 134 R HN 0.523 nan 8.270 nan 0.000 0.538 135 D N 0.526 120.794 120.400 -0.220 0.000 2.433 135 D HA 0.076 4.721 4.640 0.008 0.000 0.211 135 D C 0.148 176.311 176.300 -0.229 0.000 1.114 135 D CA -0.130 53.773 54.000 -0.161 0.000 0.837 135 D CB 0.591 41.354 40.800 -0.060 0.000 0.984 135 D HN 0.068 nan 8.370 nan 0.000 0.505 136 R N 0.296 120.594 120.500 -0.337 0.000 2.486 136 R HA 0.523 4.868 4.340 0.008 0.000 0.286 136 R C -0.738 175.242 176.300 -0.533 0.000 0.999 136 R CA -0.522 55.394 56.100 -0.307 0.000 0.993 136 R CB 1.103 31.241 30.300 -0.268 0.000 1.084 136 R HN -0.051 nan 8.270 nan 0.000 0.487 137 F N 1.592 121.414 119.950 -0.214 0.000 2.480 137 F HA 0.445 4.977 4.527 0.008 0.000 0.329 137 F C 0.020 175.619 175.800 -0.335 0.000 1.091 137 F CA -0.804 57.054 58.000 -0.238 0.000 0.972 137 F CB 1.457 40.325 39.000 -0.220 0.000 1.150 137 F HN 0.172 nan 8.300 nan 0.000 0.467 138 L N 2.560 123.683 121.223 -0.166 0.000 2.333 138 L HA 0.718 5.063 4.340 0.008 0.000 0.280 138 L C -0.540 176.164 176.870 -0.278 0.000 1.004 138 L CA 0.118 54.777 54.840 -0.302 0.000 0.820 138 L CB 1.688 43.538 42.059 -0.349 0.000 1.247 138 L HN 0.715 nan 8.230 nan 0.000 0.416 139 T N 3.390 117.745 114.554 -0.331 0.000 2.843 139 T HA 0.511 4.866 4.350 0.008 0.000 0.302 139 T C -0.715 173.962 174.700 -0.038 0.000 1.232 139 T CA -0.427 61.541 62.100 -0.221 0.000 1.009 139 T CB 0.759 69.552 68.868 -0.124 0.000 1.254 139 T HN 0.300 nan 8.240 nan 0.000 0.504 140 F N 2.273 122.248 119.950 0.041 0.000 2.410 140 F HA 0.469 5.001 4.527 0.008 0.000 0.334 140 F C 1.739 177.614 175.800 0.124 0.000 1.134 140 F CA -1.198 56.807 58.000 0.008 0.000 1.227 140 F CB 0.781 39.688 39.000 -0.155 0.000 1.194 140 F HN 0.272 nan 8.300 nan 0.000 0.571 141 R N 1.253 121.931 120.500 0.297 0.000 2.774 141 R HA -0.005 4.340 4.340 0.008 0.000 0.269 141 R C 0.554 176.915 176.300 0.103 0.000 1.068 141 R CA -0.041 56.156 56.100 0.162 0.000 1.180 141 R CB 0.107 30.441 30.300 0.056 0.000 1.077 141 R HN 0.804 nan 8.270 nan 0.000 0.513 142 N N -1.319 117.411 118.700 0.050 0.000 2.909 142 N HA -0.137 4.608 4.740 0.008 0.000 0.242 142 N C 0.044 175.593 175.510 0.066 0.000 0.975 142 N CA 1.263 54.337 53.050 0.041 0.000 0.921 142 N CB -0.697 37.805 38.487 0.025 0.000 1.112 142 N HN 0.830 nan 8.380 nan 0.000 0.581 143 G N -0.206 108.655 108.800 0.103 0.000 2.476 143 G HA2 0.417 4.382 3.960 0.008 0.000 0.269 143 G HA3 0.417 4.382 3.960 0.008 0.000 0.269 143 G C -1.021 173.856 174.900 -0.038 0.000 1.195 143 G CA -0.139 44.980 45.100 0.031 0.000 0.843 143 G HN 0.280 nan 8.290 nan 0.000 0.545 144 Y N 0.921 120.963 120.300 -0.430 0.000 2.373 144 Y HA 0.475 5.030 4.550 0.008 0.000 0.336 144 Y C 0.124 175.654 175.900 -0.618 0.000 0.979 144 Y CA -0.898 56.980 58.100 -0.370 0.000 1.080 144 Y CB 1.761 40.080 38.460 -0.235 0.000 1.190 144 Y HN 0.626 nan 8.280 nan 0.000 0.446 145 H N 3.773 122.399 119.070 -0.740 0.000 3.367 145 H HA 0.428 4.989 4.556 0.008 0.000 0.257 145 H C 0.379 175.305 175.328 -0.670 0.000 1.201 145 H CA 0.376 56.087 56.048 -0.563 0.000 1.102 145 H CB 1.269 30.859 29.762 -0.286 0.000 1.656 145 H HN 0.901 nan 8.280 nan 0.000 0.662 146 G N 0.589 108.750 108.800 -1.064 0.000 2.353 146 G HA2 -0.129 3.835 3.960 0.008 0.000 0.424 146 G HA3 -0.129 3.835 3.960 0.008 0.000 0.424 146 G C -0.948 173.840 174.900 -0.188 0.000 1.320 146 G CA -0.388 44.414 45.100 -0.496 0.000 0.995 146 G HN 0.045 nan 8.290 nan 0.000 0.580 147 D N -0.152 120.230 120.400 -0.030 0.000 2.441 147 D HA 0.225 4.870 4.640 0.008 0.000 0.210 147 D C 1.707 177.922 176.300 -0.141 0.000 1.102 147 D CA 1.160 55.170 54.000 0.018 0.000 0.840 147 D CB 0.601 41.444 40.800 0.072 0.000 0.990 147 D HN 0.756 nan 8.370 nan 0.000 0.505 148 T N -2.589 111.880 114.554 -0.141 0.000 2.868 148 T HA 0.210 4.565 4.350 0.008 0.000 0.292 148 T C 1.487 176.097 174.700 -0.150 0.000 1.028 148 T CA -0.581 61.401 62.100 -0.195 0.000 1.059 148 T CB 0.691 69.493 68.868 -0.110 0.000 0.991 148 T HN -0.088 nan 8.240 nan 0.000 0.531 149 F N 1.186 121.037 119.950 -0.164 0.000 2.043 149 F HA -0.064 4.468 4.527 0.008 0.000 0.297 149 F C 2.932 178.629 175.800 -0.173 0.000 1.121 149 F CA 1.325 59.207 58.000 -0.196 0.000 1.199 149 F CB -0.831 38.099 39.000 -0.118 0.000 0.968 149 F HN 0.841 nan 8.300 nan 0.000 0.478 150 G N -0.493 108.346 108.800 0.065 0.000 2.491 150 G HA2 -0.312 3.653 3.960 0.008 0.000 0.218 150 G HA3 -0.312 3.653 3.960 0.008 0.000 0.218 150 G C 1.712 176.540 174.900 -0.121 0.000 1.180 150 G CA 0.958 46.022 45.100 -0.060 0.000 0.774 150 G HN 0.487 nan 8.290 nan 0.000 0.562 151 A N 0.108 122.864 122.820 -0.108 0.000 2.015 151 A HA 0.158 4.483 4.320 0.008 0.000 0.219 151 A C 2.426 179.989 177.584 -0.034 0.000 1.163 151 A CA 1.544 53.512 52.037 -0.115 0.000 0.646 151 A CB -0.313 18.612 19.000 -0.125 0.000 0.806 151 A HN 0.395 nan 8.150 nan 0.000 0.448 152 M N 0.404 119.991 119.600 -0.022 0.000 2.202 152 M HA -0.152 4.333 4.480 0.008 0.000 0.262 152 M C 2.222 178.593 176.300 0.118 0.000 1.063 152 M CA 1.696 57.017 55.300 0.034 0.000 1.097 152 M CB -0.283 32.254 32.600 -0.104 0.000 1.382 152 M HN 0.617 nan 8.290 nan 0.000 0.413 153 S N -0.301 115.431 115.700 0.055 0.000 2.603 153 S HA 0.006 4.481 4.470 0.008 0.000 0.229 153 S C 1.117 175.862 174.600 0.243 0.000 0.972 153 S CA 0.650 58.927 58.200 0.127 0.000 0.935 153 S CB -0.582 62.616 63.200 -0.003 0.000 0.769 153 S HN 0.425 nan 8.310 nan 0.000 0.536 154 V N -2.702 117.344 119.914 0.220 0.000 3.346 154 V HA 0.483 4.608 4.120 0.008 0.000 0.309 154 V C 0.578 176.961 176.094 0.482 0.000 1.457 154 V CA -1.047 61.397 62.300 0.240 0.000 1.069 154 V CB -1.360 30.434 31.823 -0.048 0.000 0.944 154 V HN 0.473 nan 8.190 nan 0.000 0.449 155 C N 1.231 120.806 119.300 0.459 0.000 2.422 155 C HA 0.499 4.964 4.460 0.008 0.000 0.364 155 C C 0.648 175.729 174.990 0.152 0.000 1.251 155 C CA -0.071 59.145 59.018 0.329 0.000 2.441 155 C CB 0.824 28.775 27.740 0.351 0.000 2.393 155 C HN 0.660 nan 8.230 nan 0.000 0.606 156 D N 1.831 122.243 120.400 0.021 0.000 2.451 156 D HA 0.079 4.724 4.640 0.008 0.000 0.254 156 D C -1.447 174.560 176.300 -0.488 0.000 1.204 156 D CA -0.690 53.192 54.000 -0.197 0.000 0.896 156 D CB 0.756 41.509 40.800 -0.079 0.000 1.136 156 D HN 0.245 nan 8.370 nan 0.000 0.499 157 P HA -0.134 nan 4.420 nan 0.000 0.216 157 P C 0.506 177.554 177.300 -0.421 0.000 1.150 157 P CA 1.030 63.592 63.100 -0.898 0.000 0.837 157 P CB 0.261 31.590 31.700 -0.619 0.000 0.786 158 D N -1.407 118.837 120.400 -0.260 0.000 2.144 158 D HA -0.071 4.574 4.640 0.008 0.000 0.207 158 D C 1.688 177.952 176.300 -0.059 0.000 0.970 158 D CA 0.808 54.737 54.000 -0.119 0.000 0.853 158 D CB -0.907 39.836 40.800 -0.095 0.000 1.007 158 D HN 0.029 nan 8.370 nan 0.000 0.469 159 N N 1.123 119.789 118.700 -0.058 0.000 2.037 159 N HA -0.099 4.646 4.740 0.008 0.000 0.196 159 N C 0.695 176.238 175.510 0.055 0.000 1.034 159 N CA 0.731 53.787 53.050 0.009 0.000 0.861 159 N CB -0.394 38.101 38.487 0.014 0.000 1.039 159 N HN 0.033 nan 8.380 nan 0.000 0.427 160 S N 0.557 116.294 115.700 0.062 0.000 2.624 160 S HA 0.279 4.754 4.470 0.008 0.000 0.263 160 S C 0.684 175.434 174.600 0.250 0.000 1.287 160 S CA -0.356 57.989 58.200 0.242 0.000 0.990 160 S CB 0.892 64.350 63.200 0.431 0.000 0.950 160 S HN 0.128 nan 8.310 nan 0.000 0.561 161 M N 2.209 122.018 119.600 0.347 0.000 3.347 161 M HA 0.209 4.694 4.480 0.008 0.000 0.260 161 M C 0.389 176.788 176.300 0.165 0.000 1.362 161 M CA -0.020 55.373 55.300 0.155 0.000 1.497 161 M CB -0.600 32.000 32.600 0.000 0.000 1.080 161 M HN 0.751 nan 8.290 nan 0.000 0.592 162 H N 0.225 119.368 119.070 0.122 0.000 2.521 162 H HA -0.079 4.482 4.556 0.009 0.000 0.286 162 H C 2.112 177.474 175.328 0.058 0.000 1.034 162 H CA 1.292 57.480 56.048 0.234 0.000 1.278 162 H CB 0.460 30.346 29.762 0.207 0.000 1.386 162 H HN 0.661 nan 8.280 nan 0.000 0.567 163 S N 0.919 116.664 115.700 0.076 0.000 2.399 163 S HA -0.133 4.342 4.470 0.008 0.000 0.231 163 S C 2.124 176.650 174.600 -0.124 0.000 1.022 163 S CA 0.553 58.749 58.200 -0.007 0.000 0.983 163 S CB -0.593 62.594 63.200 -0.021 0.000 0.803 163 S HN 0.343 nan 8.310 nan 0.000 0.480 164 L N -0.619 120.396 121.223 -0.347 0.000 2.042 164 L HA -0.079 4.266 4.340 0.008 0.000 0.210 164 L C 1.753 178.307 176.870 -0.526 0.000 1.076 164 L CA 1.560 56.011 54.840 -0.648 0.000 0.749 164 L CB -0.532 40.777 42.059 -1.250 0.000 0.893 164 L HN 0.567 nan 8.230 nan 0.000 0.432 165 W N 0.079 121.433 121.300 0.089 0.000 3.015 165 W HA 0.180 4.845 4.660 0.007 0.000 0.429 165 W C 0.763 177.324 176.519 0.069 0.000 0.976 165 W CA -0.869 56.527 57.345 0.085 0.000 2.086 165 W CB -0.254 29.258 29.460 0.086 0.000 1.125 165 W HN -0.141 nan 8.180 nan 0.000 0.721 166 K N 1.718 122.215 120.400 0.161 0.000 2.395 166 K HA 0.285 4.610 4.320 0.008 0.000 0.283 166 K C 0.864 177.540 176.600 0.128 0.000 1.068 166 K CA 1.565 57.929 56.287 0.129 0.000 1.039 166 K CB 0.385 32.930 32.500 0.074 0.000 0.924 166 K HN 0.417 nan 8.250 nan 0.000 0.468 167 G N 4.284 113.158 108.800 0.123 0.000 2.604 167 G HA2 -0.345 3.620 3.960 0.008 0.000 0.205 167 G HA3 -0.345 3.620 3.960 0.008 0.000 0.205 167 G C 0.734 175.705 174.900 0.120 0.000 1.186 167 G CA 0.171 45.336 45.100 0.108 0.000 0.753 167 G HN 0.587 nan 8.290 nan 0.000 0.526 168 Y N 1.441 121.749 120.300 0.015 0.000 2.184 168 Y HA 0.453 5.008 4.550 0.009 0.000 0.290 168 Y C 1.509 177.325 175.900 -0.140 0.000 1.129 168 Y CA 0.920 58.968 58.100 -0.086 0.000 1.144 168 Y CB -0.049 38.336 38.460 -0.125 0.000 0.995 168 Y HN 0.220 nan 8.280 nan 0.000 0.513 169 L N 4.245 125.479 121.223 0.019 0.000 2.534 169 L HA 0.093 4.438 4.340 0.008 0.000 0.271 169 L C -2.074 174.764 176.870 -0.053 0.000 1.178 169 L CA -1.522 53.279 54.840 -0.066 0.000 0.907 169 L CB -0.261 41.827 42.059 0.047 0.000 1.164 169 L HN 0.147 nan 8.230 nan 0.000 0.482 170 P HA 0.064 nan 4.420 nan 0.000 0.268 170 P C -0.380 176.946 177.300 0.044 0.000 1.205 170 P CA -0.261 62.814 63.100 -0.042 0.000 0.771 170 P CB 0.765 32.428 31.700 -0.062 0.000 0.858 171 E N 2.842 123.076 120.200 0.057 0.000 2.152 171 E HA 0.144 4.499 4.350 0.008 0.000 0.285 171 E C -0.207 176.432 176.600 0.065 0.000 1.043 171 E CA -0.238 56.225 56.400 0.105 0.000 0.839 171 E CB 0.555 30.306 29.700 0.086 0.000 1.069 171 E HN 0.379 nan 8.360 nan 0.000 0.399 172 N N 2.664 121.417 118.700 0.088 0.000 2.671 172 N HA 0.473 5.218 4.740 0.008 0.000 0.303 172 N C -0.527 174.839 175.510 -0.240 0.000 1.277 172 N CA -0.543 52.431 53.050 -0.127 0.000 0.933 172 N CB 0.950 39.283 38.487 -0.258 0.000 1.190 172 N HN 0.306 nan 8.380 nan 0.000 0.600 173 L N 1.042 121.984 121.223 -0.469 0.000 2.296 173 L HA 0.505 4.850 4.340 0.008 0.000 0.286 173 L C -1.019 175.505 176.870 -0.576 0.000 1.023 173 L CA -0.535 54.054 54.840 -0.417 0.000 0.812 173 L CB 0.481 42.264 42.059 -0.462 0.000 1.223 173 L HN 0.291 nan 8.230 nan 0.000 0.421 174 F N 1.898 121.799 119.950 -0.082 0.000 2.445 174 F HA 0.611 5.142 4.527 0.008 0.000 0.348 174 F C 0.668 176.456 175.800 -0.020 0.000 1.125 174 F CA -0.608 57.373 58.000 -0.033 0.000 0.983 174 F CB 1.494 40.495 39.000 0.002 0.000 1.198 174 F HN 0.511 nan 8.300 nan 0.000 0.436 175 A N 4.540 127.428 122.820 0.115 0.000 2.346 175 A HA 0.643 4.968 4.320 0.008 0.000 0.252 175 A C -2.378 175.326 177.584 0.200 0.000 1.089 175 A CA -1.491 50.637 52.037 0.153 0.000 0.797 175 A CB -0.090 19.033 19.000 0.205 0.000 1.047 175 A HN 0.446 nan 8.150 nan 0.000 0.494 176 P HA 0.196 nan 4.420 nan 0.000 0.269 176 P C -0.333 176.926 177.300 -0.068 0.000 1.211 176 P CA 0.457 63.592 63.100 0.058 0.000 0.781 176 P CB 0.359 32.097 31.700 0.064 0.000 0.877 177 A N 3.421 126.167 122.820 -0.124 0.000 2.388 177 A HA 0.389 4.714 4.320 0.008 0.000 0.257 177 A C -2.021 175.287 177.584 -0.459 0.000 1.095 177 A CA -1.363 50.492 52.037 -0.303 0.000 0.791 177 A CB -1.075 17.833 19.000 -0.154 0.000 1.029 177 A HN 0.408 nan 8.150 nan 0.000 0.489 178 P HA -0.002 nan 4.420 nan 0.000 0.257 178 P C 0.025 177.225 177.300 -0.166 0.000 1.189 178 P CA 0.563 63.198 63.100 -0.775 0.000 0.780 178 P CB 0.432 31.274 31.700 -1.430 0.000 0.772 179 Q N 1.400 121.211 119.800 0.018 0.000 2.089 179 Q HA 0.003 4.348 4.340 0.008 0.000 0.195 179 Q C 0.543 176.603 176.000 0.100 0.000 0.963 179 Q CA 0.716 56.538 55.803 0.033 0.000 0.834 179 Q CB -0.173 28.564 28.738 -0.002 0.000 0.906 179 Q HN 0.482 nan 8.270 nan 0.000 0.452 180 S N 1.701 117.486 115.700 0.141 0.000 2.552 180 S HA 0.065 4.540 4.470 0.008 0.000 0.289 180 S C -0.010 174.796 174.600 0.343 0.000 1.304 180 S CA -0.239 58.084 58.200 0.204 0.000 1.063 180 S CB 0.798 64.100 63.200 0.171 0.000 0.848 180 S HN 0.228 nan 8.310 nan 0.000 0.499 181 R N 1.865 122.530 120.500 0.274 0.000 2.368 181 R HA 0.336 4.681 4.340 0.008 0.000 0.302 181 R C 0.003 176.381 176.300 0.129 0.000 1.002 181 R CA -0.911 55.306 56.100 0.196 0.000 0.929 181 R CB 0.516 30.885 30.300 0.116 0.000 1.073 181 R HN 0.628 nan 8.270 nan 0.000 0.464 182 M N 5.144 124.766 119.600 0.037 0.000 2.336 182 M HA -0.109 4.376 4.480 0.008 0.000 0.371 182 M C -0.347 175.863 176.300 -0.151 0.000 1.542 182 M CA 1.149 56.371 55.300 -0.130 0.000 0.959 182 M CB -0.301 32.204 32.600 -0.159 0.000 2.033 182 M HN 0.816 nan 8.290 nan 0.000 0.472 183 D N 3.425 123.657 120.400 -0.280 0.000 2.848 183 D HA -0.127 4.518 4.640 0.008 0.000 0.245 183 D C -0.669 175.602 176.300 -0.048 0.000 1.122 183 D CA 1.224 55.130 54.000 -0.156 0.000 0.769 183 D CB -1.008 39.745 40.800 -0.079 0.000 1.025 183 D HN 0.992 nan 8.370 nan 0.000 0.423 184 G N 0.768 109.571 108.800 0.004 0.000 2.682 184 G HA2 0.504 4.469 3.960 0.008 0.000 0.303 184 G HA3 0.504 4.469 3.960 0.008 0.000 0.303 184 G C -1.100 173.991 174.900 0.318 0.000 1.341 184 G CA -0.565 44.624 45.100 0.150 0.000 0.784 184 G HN 0.205 nan 8.290 nan 0.000 0.497 185 E N 0.571 120.918 120.200 0.244 0.000 2.200 185 E HA 0.115 4.469 4.350 0.008 0.000 0.283 185 E C -0.747 175.969 176.600 0.194 0.000 1.015 185 E CA -0.835 55.696 56.400 0.217 0.000 0.819 185 E CB 2.036 31.802 29.700 0.109 0.000 1.081 185 E HN 0.582 nan 8.360 nan 0.000 0.397 186 W N 5.040 126.281 121.300 -0.098 0.000 2.446 186 W HA 0.081 4.746 4.660 0.008 0.000 0.316 186 W C -0.903 175.526 176.519 -0.149 0.000 1.376 186 W CA -0.038 57.145 57.345 -0.269 0.000 1.300 186 W CB 0.699 29.880 29.460 -0.465 0.000 1.351 186 W HN 0.501 nan 8.180 nan 0.000 0.530 187 D N 5.482 125.431 120.400 -0.753 0.000 2.427 187 D HA 0.000 4.645 4.640 0.008 0.000 0.226 187 D C 1.096 176.857 176.300 -0.899 0.000 1.076 187 D CA -0.070 53.568 54.000 -0.604 0.000 0.849 187 D CB 1.130 41.727 40.800 -0.338 0.000 1.052 187 D HN 0.464 nan 8.370 nan 0.000 0.515 188 E N 3.093 122.910 120.200 -0.638 0.000 2.197 188 E HA -0.314 4.041 4.350 0.008 0.000 0.205 188 E C 1.787 178.182 176.600 -0.342 0.000 1.029 188 E CA 1.234 57.401 56.400 -0.389 0.000 0.828 188 E CB -0.377 29.252 29.700 -0.119 0.000 0.737 188 E HN 0.473 nan 8.360 nan 0.000 0.464 189 R N 0.978 121.309 120.500 -0.281 0.000 2.285 189 R HA -0.150 4.195 4.340 0.008 0.000 0.213 189 R C 0.879 177.074 176.300 -0.176 0.000 1.068 189 R CA 1.458 57.454 56.100 -0.173 0.000 1.004 189 R CB -0.242 29.982 30.300 -0.127 0.000 0.873 189 R HN 0.206 nan 8.270 nan 0.000 0.467 190 D N -0.020 120.182 120.400 -0.331 0.000 2.219 190 D HA -0.066 4.579 4.640 0.008 0.000 0.205 190 D C 0.780 177.043 176.300 -0.062 0.000 0.970 190 D CA 0.950 54.804 54.000 -0.244 0.000 0.851 190 D CB 0.206 40.677 40.800 -0.548 0.000 0.943 190 D HN 0.160 nan 8.370 nan 0.000 0.488 191 M N 0.726 120.205 119.600 -0.200 0.000 3.242 191 M HA 0.119 4.604 4.480 0.008 0.000 0.250 191 M C 0.610 176.975 176.300 0.110 0.000 1.239 191 M CA 0.042 55.307 55.300 -0.058 0.000 1.205 191 M CB 0.718 33.200 32.600 -0.197 0.000 1.189 191 M HN 0.028 nan 8.290 nan 0.000 0.531 192 V N -3.706 116.297 119.914 0.148 0.000 2.948 192 V HA 0.356 4.481 4.120 0.008 0.000 0.234 192 V C 1.993 178.200 176.094 0.188 0.000 1.205 192 V CA 1.092 63.474 62.300 0.137 0.000 1.234 192 V CB -1.153 30.711 31.823 0.069 0.000 1.020 192 V HN 0.426 nan 8.190 nan 0.000 0.491 193 G N -0.236 108.680 108.800 0.194 0.000 2.469 193 G HA2 -0.298 3.666 3.960 0.008 0.000 0.220 193 G HA3 -0.298 3.666 3.960 0.008 0.000 0.220 193 G C 1.436 176.485 174.900 0.247 0.000 1.136 193 G CA 1.507 46.719 45.100 0.187 0.000 0.759 193 G HN 0.493 nan 8.290 nan 0.000 0.562 194 F N 2.006 122.097 119.950 0.236 0.000 2.098 194 F HA 0.231 4.763 4.527 0.008 0.000 0.294 194 F C 2.866 178.785 175.800 0.199 0.000 1.107 194 F CA 1.013 59.179 58.000 0.278 0.000 1.234 194 F CB -0.455 38.858 39.000 0.521 0.000 1.002 194 F HN 0.223 nan 8.300 nan 0.000 0.472 195 A N 1.531 124.633 122.820 0.470 0.000 1.903 195 A HA -0.287 4.038 4.320 0.008 0.000 0.219 195 A C 2.322 180.023 177.584 0.195 0.000 1.191 195 A CA 2.469 54.690 52.037 0.305 0.000 0.638 195 A CB -0.972 18.146 19.000 0.196 0.000 0.823 195 A HN 0.581 nan 8.150 nan 0.000 0.451 196 R N -1.258 119.336 120.500 0.156 0.000 2.115 196 R HA 0.062 4.407 4.340 0.008 0.000 0.226 196 R C 1.746 178.107 176.300 0.101 0.000 1.100 196 R CA 1.149 57.315 56.100 0.109 0.000 0.980 196 R CB -0.569 29.787 30.300 0.093 0.000 0.875 196 R HN 0.350 nan 8.270 nan 0.000 0.445 197 L N 1.235 122.503 121.223 0.075 0.000 2.017 197 L HA -0.075 4.270 4.340 0.008 0.000 0.208 197 L C 2.576 179.462 176.870 0.027 0.000 1.073 197 L CA 1.743 56.600 54.840 0.029 0.000 0.745 197 L CB -0.886 41.095 42.059 -0.129 0.000 0.894 197 L HN 0.318 nan 8.230 nan 0.000 0.432 198 M N -0.228 119.360 119.600 -0.019 0.000 2.159 198 M HA -0.126 4.359 4.480 0.008 0.000 0.263 198 M C 2.226 178.564 176.300 0.063 0.000 1.063 198 M CA 1.908 57.217 55.300 0.014 0.000 1.110 198 M CB -0.396 32.272 32.600 0.113 0.000 1.374 198 M HN 0.151 nan 8.290 nan 0.000 0.411 199 A N -0.023 122.848 122.820 0.085 0.000 1.892 199 A HA -0.053 4.272 4.320 0.008 0.000 0.218 199 A C 2.279 179.896 177.584 0.055 0.000 1.188 199 A CA 2.202 54.282 52.037 0.071 0.000 0.631 199 A CB -1.429 17.612 19.000 0.068 0.000 0.822 199 A HN 0.690 nan 8.150 nan 0.000 0.447 200 A N -2.749 120.099 122.820 0.047 0.000 2.218 200 A HA 0.149 4.474 4.320 0.008 0.000 0.209 200 A C 1.333 178.757 177.584 -0.267 0.000 1.168 200 A CA 0.722 52.710 52.037 -0.081 0.000 0.804 200 A CB -0.298 18.631 19.000 -0.117 0.000 0.834 200 A HN 0.683 nan 8.150 nan 0.000 0.482 201 H N -2.261 116.788 119.070 -0.034 0.000 3.182 201 H HA 0.178 4.739 4.556 0.008 0.000 0.254 201 H C 1.525 176.581 175.328 -0.454 0.000 1.197 201 H CA -0.197 55.653 56.048 -0.331 0.000 1.061 201 H CB 0.180 29.777 29.762 -0.276 0.000 1.722 201 H HN 0.378 nan 8.280 nan 0.000 0.662 202 R N 1.890 122.343 120.500 -0.077 0.000 2.174 202 R HA -0.171 4.174 4.340 0.008 0.000 0.253 202 R C 1.726 177.954 176.300 -0.119 0.000 1.165 202 R CA 1.799 57.868 56.100 -0.051 0.000 0.984 202 R CB -0.208 30.122 30.300 0.050 0.000 0.873 202 R HN 0.584 nan 8.270 nan 0.000 0.456 203 H N -2.233 116.772 119.070 -0.108 0.000 2.535 203 H HA 0.088 4.649 4.556 0.008 0.000 0.273 203 H C 1.212 176.422 175.328 -0.197 0.000 0.983 203 H CA 0.711 56.673 56.048 -0.142 0.000 1.238 203 H CB 0.067 29.762 29.762 -0.113 0.000 1.412 203 H HN 0.368 nan 8.280 nan 0.000 0.562 204 E N 0.884 120.690 120.200 -0.658 0.000 2.290 204 E HA 0.207 4.562 4.350 0.008 0.000 0.199 204 E C 0.350 176.684 176.600 -0.444 0.000 0.912 204 E CA -0.232 55.856 56.400 -0.520 0.000 0.924 204 E CB 0.602 29.948 29.700 -0.589 0.000 0.901 204 E HN 0.235 nan 8.360 nan 0.000 0.487 205 I N 1.825 122.143 120.570 -0.420 0.000 2.662 205 I HA -0.099 4.076 4.170 0.008 0.000 0.285 205 I C 1.099 176.910 176.117 -0.510 0.000 1.161 205 I CA 0.035 61.095 61.300 -0.401 0.000 1.415 205 I CB 1.267 39.095 38.000 -0.287 0.000 1.385 205 I HN 0.159 nan 8.210 nan 0.000 0.552 206 A N 5.635 128.119 122.820 -0.560 0.000 2.030 206 A HA 0.594 4.919 4.320 0.008 0.000 0.215 206 A C 0.928 178.445 177.584 -0.112 0.000 1.164 206 A CA 0.989 52.735 52.037 -0.486 0.000 0.697 206 A CB 0.124 18.884 19.000 -0.400 0.000 0.827 206 A HN 0.843 nan 8.150 nan 0.000 0.457 207 A N -1.927 120.721 122.820 -0.287 0.000 2.599 207 A HA 0.541 4.866 4.320 0.008 0.000 0.294 207 A C -1.327 176.214 177.584 -0.071 0.000 1.055 207 A CA -0.353 51.632 52.037 -0.087 0.000 0.683 207 A CB 0.482 19.494 19.000 0.021 0.000 1.278 207 A HN 0.423 nan 8.150 nan 0.000 0.412 208 V N 1.906 121.807 119.914 -0.022 0.000 2.427 208 V HA 0.623 4.748 4.120 0.008 0.000 0.286 208 V C -0.268 175.796 176.094 -0.049 0.000 1.034 208 V CA -0.249 62.029 62.300 -0.036 0.000 0.893 208 V CB 1.345 33.185 31.823 0.028 0.000 0.982 208 V HN 0.760 nan 8.190 nan 0.000 0.452 209 I N 7.300 127.805 120.570 -0.109 0.000 2.478 209 I HA 0.649 4.824 4.170 0.008 0.000 0.287 209 I C -1.031 174.985 176.117 -0.168 0.000 1.042 209 I CA -0.463 60.736 61.300 -0.168 0.000 1.067 209 I CB 1.183 39.012 38.000 -0.285 0.000 1.233 209 I HN 0.690 nan 8.210 nan 0.000 0.431 210 I N 3.121 123.640 120.570 -0.085 0.000 3.095 210 I HA 0.536 4.711 4.170 0.008 0.000 0.310 210 I C -1.317 174.915 176.117 0.193 0.000 1.196 210 I CA -0.803 60.519 61.300 0.037 0.000 0.985 210 I CB 2.323 40.215 38.000 -0.180 0.000 1.250 210 I HN 0.559 nan 8.210 nan 0.000 0.446 211 E N 4.304 124.658 120.200 0.257 0.000 2.223 211 E HA 0.321 4.676 4.350 0.008 0.000 0.282 211 E C -2.387 174.365 176.600 0.254 0.000 1.046 211 E CA -1.690 54.824 56.400 0.189 0.000 0.857 211 E CB 0.636 30.395 29.700 0.098 0.000 1.055 211 E HN 0.361 nan 8.360 nan 0.000 0.409 212 P HA 0.010 nan 4.420 nan 0.000 0.276 212 P C 0.537 177.818 177.300 -0.030 0.000 1.264 212 P CA 0.012 63.205 63.100 0.154 0.000 0.769 212 P CB 0.607 32.369 31.700 0.104 0.000 0.840 213 I N 0.753 121.085 120.570 -0.396 0.000 4.300 213 I HA -0.265 3.909 4.170 0.008 0.000 0.079 213 I C 0.396 176.129 176.117 -0.639 0.000 0.562 213 I CA 1.260 62.023 61.300 -0.895 0.000 1.126 213 I CB -2.056 35.697 38.000 -0.413 0.000 1.002 213 I HN 0.165 nan 8.210 nan 0.000 0.174 214 V N 3.884 123.676 119.914 -0.203 0.000 2.347 214 V HA 0.314 4.439 4.120 0.008 0.000 0.280 214 V C 0.495 176.620 176.094 0.051 0.000 1.021 214 V CA -0.389 61.887 62.300 -0.040 0.000 0.847 214 V CB 1.510 33.349 31.823 0.026 0.000 0.990 214 V HN 0.228 nan 8.190 nan 0.000 0.444 215 Q N 3.467 123.342 119.800 0.126 0.000 2.406 215 Q HA 0.335 4.680 4.340 0.008 0.000 0.242 215 Q C 1.057 177.093 176.000 0.059 0.000 1.036 215 Q CA 0.032 55.903 55.803 0.113 0.000 0.904 215 Q CB 1.695 30.526 28.738 0.156 0.000 1.244 215 Q HN 0.935 nan 8.270 nan 0.000 0.478 216 G N 1.816 110.622 108.800 0.009 0.000 2.688 216 G HA2 -0.134 3.831 3.960 0.008 0.000 0.211 216 G HA3 -0.134 3.831 3.960 0.008 0.000 0.211 216 G C 1.029 175.922 174.900 -0.012 0.000 1.399 216 G CA 0.657 45.789 45.100 0.053 0.000 0.901 216 G HN 0.642 nan 8.290 nan 0.000 0.555 217 A N 0.181 122.936 122.820 -0.108 0.000 2.209 217 A HA 0.303 4.628 4.320 0.008 0.000 0.212 217 A C 2.257 179.670 177.584 -0.285 0.000 1.158 217 A CA 1.588 53.404 52.037 -0.368 0.000 0.742 217 A CB -0.469 18.029 19.000 -0.838 0.000 0.790 217 A HN 0.670 nan 8.150 nan 0.000 0.472 218 G N -1.894 106.852 108.800 -0.090 0.000 2.985 218 G HA2 0.389 4.354 3.960 0.008 0.000 0.209 218 G HA3 0.389 4.354 3.960 0.008 0.000 0.209 218 G C 0.833 175.757 174.900 0.039 0.000 1.165 218 G CA 0.658 45.752 45.100 -0.010 0.000 0.776 218 G HN 1.439 nan 8.290 nan 0.000 0.541 219 G N -0.599 108.226 108.800 0.042 0.000 2.789 219 G HA2 -0.086 3.879 3.960 0.008 0.000 0.218 219 G HA3 -0.086 3.879 3.960 0.008 0.000 0.218 219 G C 0.530 175.450 174.900 0.034 0.000 0.980 219 G CA -0.132 45.010 45.100 0.070 0.000 0.848 219 G HN 0.291 nan 8.290 nan 0.000 0.591 220 M N 0.270 119.868 119.600 -0.004 0.000 2.212 220 M HA -0.153 4.332 4.480 0.008 0.000 0.193 220 M C 0.665 176.988 176.300 0.039 0.000 0.493 220 M CA 0.854 56.148 55.300 -0.010 0.000 0.427 220 M CB -2.005 30.517 32.600 -0.130 0.000 1.120 220 M HN 0.667 nan 8.290 nan 0.000 0.929 221 R N 0.026 120.566 120.500 0.067 0.000 2.532 221 R HA 0.797 5.142 4.340 0.008 0.000 0.272 221 R C 0.169 176.523 176.300 0.090 0.000 1.032 221 R CA -0.587 55.564 56.100 0.084 0.000 1.089 221 R CB 0.922 31.282 30.300 0.099 0.000 1.098 221 R HN 0.411 nan 8.270 nan 0.000 0.526 222 M N 2.513 122.160 119.600 0.078 0.000 2.031 222 M HA 0.261 4.746 4.480 0.008 0.000 0.273 222 M C -1.278 175.050 176.300 0.046 0.000 0.904 222 M CA -0.758 54.544 55.300 0.003 0.000 0.963 222 M CB 1.157 33.742 32.600 -0.024 0.000 1.707 222 M HN 0.549 nan 8.290 nan 0.000 0.427 223 Y N -1.348 118.986 120.300 0.057 0.000 2.496 223 Y HA 0.632 5.187 4.550 0.008 0.000 0.325 223 Y C -0.222 175.797 175.900 0.198 0.000 1.271 223 Y CA -1.135 57.044 58.100 0.131 0.000 1.368 223 Y CB 0.406 38.922 38.460 0.092 0.000 1.415 223 Y HN 0.525 nan 8.280 nan 0.000 0.527 224 H N 2.830 122.199 119.070 0.499 0.000 2.690 224 H HA 0.194 4.755 4.556 0.008 0.000 0.314 224 H C -1.698 173.869 175.328 0.398 0.000 1.069 224 H CA -2.159 54.123 56.048 0.389 0.000 1.436 224 H CB 1.249 31.315 29.762 0.507 0.000 1.462 224 H HN 0.452 nan 8.280 nan 0.000 0.511 225 P HA -0.213 nan 4.420 nan 0.000 0.221 225 P C 1.289 178.755 177.300 0.276 0.000 1.145 225 P CA 0.864 64.130 63.100 0.277 0.000 0.795 225 P CB 0.409 32.205 31.700 0.161 0.000 0.775 226 E N -0.892 119.472 120.200 0.274 0.000 2.187 226 E HA -0.205 4.150 4.350 0.008 0.000 0.199 226 E C 1.875 178.222 176.600 -0.422 0.000 1.004 226 E CA 1.169 57.349 56.400 -0.366 0.000 0.813 226 E CB -0.717 28.308 29.700 -1.125 0.000 0.736 226 E HN 0.382 nan 8.360 nan 0.000 0.468 227 W N 0.632 121.950 121.300 0.030 0.000 2.335 227 W HA -0.171 4.494 4.660 0.009 0.000 0.311 227 W C 2.351 178.956 176.519 0.145 0.000 1.213 227 W CA 0.928 58.412 57.345 0.230 0.000 1.274 227 W CB -0.286 29.451 29.460 0.461 0.000 1.148 227 W HN 0.078 nan 8.180 nan 0.000 0.498 228 L N -0.115 121.395 121.223 0.477 0.000 2.093 228 L HA -0.197 4.148 4.340 0.008 0.000 0.208 228 L C 2.421 179.372 176.870 0.136 0.000 1.085 228 L CA 1.164 56.188 54.840 0.306 0.000 0.755 228 L CB -0.811 41.409 42.059 0.269 0.000 0.904 228 L HN -0.094 nan 8.230 nan 0.000 0.435 229 K N -0.145 120.285 120.400 0.050 0.000 2.032 229 K HA -0.161 4.164 4.320 0.008 0.000 0.209 229 K C 2.275 178.838 176.600 -0.061 0.000 1.048 229 K CA 1.143 57.409 56.287 -0.035 0.000 0.927 229 K CB -0.082 32.352 32.500 -0.111 0.000 0.712 229 K HN 0.201 nan 8.250 nan 0.000 0.441 230 R N 0.719 121.149 120.500 -0.116 0.000 2.120 230 R HA -0.031 4.314 4.340 0.008 0.000 0.234 230 R C 2.211 178.493 176.300 -0.030 0.000 1.123 230 R CA 0.934 56.962 56.100 -0.119 0.000 0.975 230 R CB -0.563 29.597 30.300 -0.233 0.000 0.866 230 R HN 0.330 nan 8.270 nan 0.000 0.446 231 I N 0.417 121.016 120.570 0.048 0.000 2.233 231 I HA -0.182 3.993 4.170 0.008 0.000 0.243 231 I C 2.551 178.700 176.117 0.055 0.000 1.093 231 I CA 0.716 62.048 61.300 0.054 0.000 1.380 231 I CB -0.327 37.735 38.000 0.103 0.000 1.067 231 I HN 0.028 nan 8.210 nan 0.000 0.413 232 R N 1.995 122.522 120.500 0.045 0.000 2.083 232 R HA -0.184 4.161 4.340 0.008 0.000 0.237 232 R C 2.064 178.380 176.300 0.027 0.000 1.137 232 R CA 1.742 57.860 56.100 0.031 0.000 0.951 232 R CB -0.524 29.789 30.300 0.021 0.000 0.851 232 R HN 0.268 nan 8.270 nan 0.000 0.434 233 K N -0.170 120.239 120.400 0.016 0.000 2.026 233 K HA -0.123 4.202 4.320 0.008 0.000 0.208 233 K C 2.020 178.642 176.600 0.037 0.000 1.048 233 K CA 1.582 57.878 56.287 0.015 0.000 0.929 233 K CB -0.455 32.042 32.500 -0.005 0.000 0.713 233 K HN 0.206 nan 8.250 nan 0.000 0.439 234 I N 0.349 120.951 120.570 0.053 0.000 2.286 234 I HA -0.290 3.885 4.170 0.008 0.000 0.248 234 I C 1.692 177.865 176.117 0.093 0.000 1.115 234 I CA 1.519 62.871 61.300 0.088 0.000 1.392 234 I CB -0.286 37.802 38.000 0.147 0.000 1.065 234 I HN 0.144 nan 8.210 nan 0.000 0.418 235 C N 0.859 120.212 119.300 0.088 0.000 2.462 235 C HA -0.134 4.331 4.460 0.008 0.000 0.278 235 C C 2.371 177.406 174.990 0.074 0.000 1.253 235 C CA 1.112 60.180 59.018 0.083 0.000 1.713 235 C CB -1.386 26.395 27.740 0.068 0.000 2.049 235 C HN 0.553 nan 8.230 nan 0.000 0.477 236 D N 0.163 120.595 120.400 0.054 0.000 2.154 236 D HA -0.202 4.443 4.640 0.008 0.000 0.190 236 D C 2.310 178.643 176.300 0.056 0.000 1.003 236 D CA 1.508 55.535 54.000 0.046 0.000 0.849 236 D CB -0.422 40.396 40.800 0.029 0.000 0.942 236 D HN 0.517 nan 8.370 nan 0.000 0.446 237 R N 0.304 120.837 120.500 0.055 0.000 2.090 237 R HA -0.080 4.265 4.340 0.008 0.000 0.228 237 R C 1.638 177.978 176.300 0.067 0.000 1.110 237 R CA 1.049 57.181 56.100 0.054 0.000 0.973 237 R CB 0.073 30.401 30.300 0.047 0.000 0.869 237 R HN -0.054 nan 8.270 nan 0.000 0.440 238 E N -0.714 119.531 120.200 0.076 0.000 2.371 238 E HA 0.076 4.431 4.350 0.008 0.000 0.194 238 E C 1.066 177.736 176.600 0.118 0.000 1.012 238 E CA 1.018 57.464 56.400 0.076 0.000 0.860 238 E CB 0.308 30.047 29.700 0.064 0.000 0.811 238 E HN 0.602 nan 8.360 nan 0.000 0.502 239 G N 0.774 109.664 108.800 0.149 0.000 2.304 239 G HA2 -0.369 3.596 3.960 0.008 0.000 0.252 239 G HA3 -0.369 3.596 3.960 0.008 0.000 0.252 239 G C 0.592 175.711 174.900 0.365 0.000 1.014 239 G CA 0.380 45.628 45.100 0.245 0.000 0.619 239 G HN 0.442 nan 8.290 nan 0.000 0.525 240 I N 1.395 122.139 120.570 0.290 0.000 2.815 240 I HA 0.503 4.678 4.170 0.008 0.000 0.291 240 I C 0.815 177.049 176.117 0.195 0.000 1.209 240 I CA -0.580 60.913 61.300 0.321 0.000 1.431 240 I CB 0.391 38.434 38.000 0.072 0.000 1.351 240 I HN 0.222 nan 8.210 nan 0.000 0.585 241 L N 6.477 127.805 121.223 0.175 0.000 2.417 241 L HA 0.313 4.658 4.340 0.008 0.000 0.268 241 L C 0.058 176.924 176.870 -0.007 0.000 1.158 241 L CA -0.491 54.343 54.840 -0.010 0.000 0.819 241 L CB 0.514 42.488 42.059 -0.143 0.000 1.112 241 L HN 0.620 nan 8.230 nan 0.000 0.458 242 L N 4.744 125.943 121.223 -0.040 0.000 2.280 242 L HA 0.519 4.864 4.340 0.008 0.000 0.287 242 L C -0.468 176.365 176.870 -0.062 0.000 1.023 242 L CA -0.353 54.468 54.840 -0.031 0.000 0.819 242 L CB 1.283 43.333 42.059 -0.016 0.000 1.212 242 L HN 0.569 nan 8.230 nan 0.000 0.420 243 I N 4.901 125.435 120.570 -0.060 0.000 2.331 243 I HA 0.361 4.536 4.170 0.008 0.000 0.292 243 I C 0.390 176.455 176.117 -0.086 0.000 0.998 243 I CA -0.387 60.860 61.300 -0.089 0.000 1.267 243 I CB 1.725 39.665 38.000 -0.100 0.000 1.386 243 I HN 0.673 nan 8.210 nan 0.000 0.476 244 A N 4.879 127.646 122.820 -0.088 0.000 2.258 244 A HA 0.323 4.648 4.320 0.008 0.000 0.316 244 A C -0.541 177.000 177.584 -0.072 0.000 1.279 244 A CA -0.504 51.495 52.037 -0.063 0.000 0.876 244 A CB 0.495 19.454 19.000 -0.067 0.000 1.170 244 A HN 0.669 nan 8.150 nan 0.000 0.520 245 D N 2.559 122.945 120.400 -0.023 0.000 2.411 245 D HA 0.161 4.806 4.640 0.008 0.000 0.225 245 D C 0.245 176.525 176.300 -0.034 0.000 1.156 245 D CA 0.181 54.175 54.000 -0.010 0.000 0.874 245 D CB 0.562 41.438 40.800 0.126 0.000 1.034 245 D HN 0.596 nan 8.370 nan 0.000 0.502 246 E N 3.383 123.537 120.200 -0.077 0.000 2.496 246 E HA 0.109 4.464 4.350 0.008 0.000 0.200 246 E C 1.591 178.124 176.600 -0.111 0.000 1.016 246 E CA -0.186 56.160 56.400 -0.088 0.000 0.962 246 E CB 0.602 30.259 29.700 -0.072 0.000 1.071 246 E HN 0.606 nan 8.360 nan 0.000 0.457 247 I N 0.869 121.378 120.570 -0.101 0.000 2.335 247 I HA -0.266 3.909 4.170 0.008 0.000 0.251 247 I C 2.303 178.319 176.117 -0.169 0.000 1.129 247 I CA 1.283 62.534 61.300 -0.082 0.000 1.402 247 I CB -0.044 37.916 38.000 -0.066 0.000 1.069 247 I HN 0.114 nan 8.210 nan 0.000 0.424 248 A N 0.108 122.716 122.820 -0.353 0.000 2.014 248 A HA -0.044 4.280 4.320 0.008 0.000 0.210 248 A C 2.252 179.453 177.584 -0.639 0.000 1.188 248 A CA 1.161 52.719 52.037 -0.798 0.000 0.731 248 A CB -0.566 17.692 19.000 -1.236 0.000 0.858 248 A HN 0.425 nan 8.150 nan 0.000 0.464 249 T N -2.630 111.724 114.554 -0.334 0.000 3.065 249 T HA 0.327 4.682 4.350 0.008 0.000 0.252 249 T C 1.087 175.761 174.700 -0.044 0.000 1.099 249 T CA 0.455 62.478 62.100 -0.128 0.000 1.063 249 T CB -0.290 68.536 68.868 -0.070 0.000 0.948 249 T HN 0.406 nan 8.240 nan 0.000 0.506 250 G N 0.760 109.503 108.800 -0.095 0.000 2.544 250 G HA2 0.393 4.358 3.960 0.008 0.000 0.242 250 G HA3 0.393 4.358 3.960 0.008 0.000 0.242 250 G C -0.319 174.402 174.900 -0.299 0.000 1.247 250 G CA -0.680 44.267 45.100 -0.256 0.000 0.840 250 G HN 0.341 nan 8.290 nan 0.000 0.578 251 F N -0.729 118.975 119.950 -0.410 0.000 3.030 251 F HA -0.190 4.342 4.527 0.008 0.000 0.309 251 F C 1.683 177.147 175.800 -0.560 0.000 0.941 251 F CA 1.229 58.893 58.000 -0.560 0.000 1.082 251 F CB -1.585 37.222 39.000 -0.323 0.000 1.113 251 F HN 1.662 nan 8.300 nan 0.000 0.716 252 G N -0.321 108.175 108.800 -0.508 0.000 2.179 252 G HA2 -0.441 3.524 3.960 0.008 0.000 0.257 252 G HA3 -0.441 3.524 3.960 0.008 0.000 0.257 252 G C 1.033 175.880 174.900 -0.089 0.000 1.010 252 G CA 0.770 45.563 45.100 -0.511 0.000 0.736 252 G HN 0.729 nan 8.290 nan 0.000 0.513 253 R N 0.462 121.016 120.500 0.090 0.000 2.152 253 R HA -0.018 4.327 4.340 0.008 0.000 0.232 253 R C 2.635 179.067 176.300 0.220 0.000 1.117 253 R CA 2.392 58.649 56.100 0.262 0.000 0.981 253 R CB -0.326 30.199 30.300 0.375 0.000 0.870 253 R HN 0.644 nan 8.270 nan 0.000 0.451 254 T N -4.151 110.521 114.554 0.196 0.000 3.145 254 T HA 0.314 4.669 4.350 0.008 0.000 0.255 254 T C 1.109 175.968 174.700 0.264 0.000 1.039 254 T CA 0.166 62.406 62.100 0.233 0.000 0.928 254 T CB 0.697 69.730 68.868 0.274 0.000 1.029 254 T HN 0.353 nan 8.240 nan 0.000 0.554 255 G N 0.869 109.801 108.800 0.220 0.000 2.176 255 G HA2 -0.179 3.786 3.960 0.008 0.000 0.232 255 G HA3 -0.179 3.786 3.960 0.008 0.000 0.232 255 G C -0.118 174.915 174.900 0.221 0.000 0.986 255 G CA -0.063 45.168 45.100 0.217 0.000 0.643 255 G HN 0.654 nan 8.290 nan 0.000 0.522 256 K N -0.542 119.961 120.400 0.170 0.000 2.464 256 K HA 0.540 4.865 4.320 0.008 0.000 0.253 256 K C 0.858 177.479 176.600 0.034 0.000 0.933 256 K CA -0.915 55.422 56.287 0.083 0.000 0.801 256 K CB 2.230 34.565 32.500 -0.275 0.000 1.271 256 K HN 0.025 nan 8.250 nan 0.000 0.430 257 L N 1.925 123.174 121.223 0.043 0.000 1.997 257 L HA -0.089 4.256 4.340 0.008 0.000 0.216 257 L C -0.049 176.390 176.870 -0.718 0.000 1.074 257 L CA 2.076 56.687 54.840 -0.381 0.000 0.763 257 L CB -0.113 41.794 42.059 -0.253 0.000 0.890 257 L HN 0.445 nan 8.230 nan 0.000 0.434 258 F N -2.752 117.134 119.950 -0.107 0.000 2.546 258 F HA 0.520 5.052 4.527 0.008 0.000 0.320 258 F C 1.014 176.766 175.800 -0.080 0.000 1.076 258 F CA -0.464 57.450 58.000 -0.143 0.000 0.928 258 F CB 1.136 40.041 39.000 -0.158 0.000 1.189 258 F HN -0.162 nan 8.300 nan 0.000 0.465 259 A N 0.250 123.164 122.820 0.156 0.000 2.015 259 A HA -0.098 4.227 4.320 0.008 0.000 0.219 259 A C 1.869 179.561 177.584 0.181 0.000 1.163 259 A CA 1.413 53.565 52.037 0.191 0.000 0.646 259 A CB -1.157 17.932 19.000 0.149 0.000 0.806 259 A HN 0.881 nan 8.150 nan 0.000 0.448 260 C N -0.184 119.189 119.300 0.121 0.000 2.419 260 C HA -0.061 4.404 4.460 0.008 0.000 0.283 260 C C 2.348 177.386 174.990 0.081 0.000 1.373 260 C CA 0.939 60.014 59.018 0.095 0.000 1.781 260 C CB -1.379 26.386 27.740 0.042 0.000 1.886 260 C HN 0.658 nan 8.230 nan 0.000 0.520 261 E N -0.356 119.873 120.200 0.048 0.000 2.265 261 E HA -0.182 4.173 4.350 0.008 0.000 0.196 261 E C 1.647 178.222 176.600 -0.042 0.000 0.996 261 E CA 0.676 57.070 56.400 -0.010 0.000 0.832 261 E CB -0.182 29.492 29.700 -0.043 0.000 0.756 261 E HN 0.744 nan 8.360 nan 0.000 0.491 262 H N -0.620 118.479 119.070 0.048 0.000 2.518 262 H HA 0.004 4.565 4.556 0.008 0.000 0.289 262 H C 1.262 176.612 175.328 0.036 0.000 1.051 262 H CA 1.324 57.391 56.048 0.032 0.000 1.280 262 H CB 0.332 30.102 29.762 0.013 0.000 1.380 262 H HN 0.151 nan 8.280 nan 0.000 0.566 263 A N -0.192 122.713 122.820 0.142 0.000 2.571 263 A HA 0.202 4.527 4.320 0.008 0.000 0.274 263 A C 0.681 178.297 177.584 0.053 0.000 1.196 263 A CA -0.054 52.040 52.037 0.095 0.000 0.957 263 A CB 0.442 19.507 19.000 0.108 0.000 1.150 263 A HN 0.265 nan 8.150 nan 0.000 0.539 264 E N -0.961 119.265 120.200 0.044 0.000 2.660 264 E HA -0.243 4.112 4.350 0.008 0.000 0.260 264 E C 0.078 176.692 176.600 0.022 0.000 1.122 264 E CA 0.910 57.325 56.400 0.026 0.000 0.755 264 E CB -1.556 28.154 29.700 0.017 0.000 1.345 264 E HN 0.950 nan 8.360 nan 0.000 0.421 265 I N -2.839 117.749 120.570 0.030 0.000 2.793 265 I HA 0.718 4.893 4.170 0.008 0.000 0.313 265 I C -0.252 175.870 176.117 0.008 0.000 0.998 265 I CA -0.514 60.798 61.300 0.019 0.000 1.140 265 I CB 1.883 39.901 38.000 0.030 0.000 1.327 265 I HN -0.075 nan 8.210 nan 0.000 0.491 266 A N 4.786 127.600 122.820 -0.010 0.000 2.371 266 A HA 0.888 5.213 4.320 0.008 0.000 0.311 266 A C -2.756 174.800 177.584 -0.047 0.000 1.068 266 A CA -1.591 50.423 52.037 -0.039 0.000 0.744 266 A CB 0.828 19.802 19.000 -0.045 0.000 1.239 266 A HN 0.675 nan 8.150 nan 0.000 0.435 267 P HA 0.296 nan 4.420 nan 0.000 0.279 267 P C -0.558 176.685 177.300 -0.095 0.000 1.276 267 P CA -0.182 62.874 63.100 -0.074 0.000 0.801 267 P CB 1.091 32.736 31.700 -0.092 0.000 1.127 268 D N -0.508 119.830 120.400 -0.103 0.000 2.289 268 D HA 0.142 4.787 4.640 0.008 0.000 0.207 268 D C 0.606 176.807 176.300 -0.166 0.000 0.966 268 D CA 1.237 55.153 54.000 -0.140 0.000 0.868 268 D CB 0.287 40.987 40.800 -0.167 0.000 0.943 268 D HN 0.355 nan 8.370 nan 0.000 0.514 269 I N 0.875 121.354 120.570 -0.152 0.000 2.607 269 I HA 0.229 4.404 4.170 0.008 0.000 0.290 269 I C -1.403 174.623 176.117 -0.151 0.000 1.129 269 I CA -1.002 60.202 61.300 -0.160 0.000 1.042 269 I CB 2.847 40.749 38.000 -0.164 0.000 1.242 269 I HN -0.271 nan 8.210 nan 0.000 0.421 270 L N 6.636 127.761 121.223 -0.164 0.000 2.349 270 L HA 0.623 4.968 4.340 0.008 0.000 0.278 270 L C -0.945 175.833 176.870 -0.154 0.000 0.996 270 L CA -0.074 54.656 54.840 -0.183 0.000 0.825 270 L CB 1.356 43.255 42.059 -0.265 0.000 1.243 270 L HN 0.684 nan 8.230 nan 0.000 0.412 271 C N 5.665 124.886 119.300 -0.131 0.000 2.319 271 C HA 0.740 5.205 4.460 0.008 0.000 0.335 271 C C 0.072 175.017 174.990 -0.075 0.000 1.274 271 C CA -0.826 58.138 59.018 -0.090 0.000 1.806 271 C CB 0.320 28.011 27.740 -0.081 0.000 2.329 271 C HN 0.754 nan 8.230 nan 0.000 0.524 272 L N 2.315 123.526 121.223 -0.019 0.000 2.327 272 L HA 0.966 5.311 4.340 0.008 0.000 0.258 272 L C 0.607 177.543 176.870 0.111 0.000 1.024 272 L CA -0.115 54.751 54.840 0.042 0.000 0.825 272 L CB 2.154 44.267 42.059 0.091 0.000 1.386 272 L HN 0.900 nan 8.230 nan 0.000 0.417 273 G N -1.003 107.906 108.800 0.181 0.000 2.485 273 G HA2 0.196 4.161 3.960 0.008 0.000 0.182 273 G HA3 0.196 4.161 3.960 0.008 0.000 0.182 273 G C -0.510 174.494 174.900 0.174 0.000 1.172 273 G CA -0.091 45.099 45.100 0.149 0.000 0.996 273 G HN 0.481 nan 8.290 nan 0.000 0.496 274 K N -0.910 119.564 120.400 0.124 0.000 5.240 274 K HA -0.412 3.913 4.320 0.008 0.000 0.296 274 K C 2.292 178.961 176.600 0.114 0.000 0.663 274 K CA 2.769 59.137 56.287 0.136 0.000 1.051 274 K CB -1.535 31.060 32.500 0.157 0.000 0.767 274 K HN 1.239 nan 8.250 nan 0.000 0.850 275 A N 1.122 124.034 122.820 0.154 0.000 2.186 275 A HA -0.118 4.207 4.320 0.008 0.000 0.219 275 A C 1.971 179.470 177.584 -0.141 0.000 1.159 275 A CA 1.684 53.751 52.037 0.050 0.000 0.680 275 A CB -0.380 18.716 19.000 0.160 0.000 0.787 275 A HN 0.415 nan 8.150 nan 0.000 0.467 276 L N 0.541 121.725 121.223 -0.064 0.000 2.021 276 L HA -0.178 4.167 4.340 0.008 0.000 0.215 276 L C 2.322 179.008 176.870 -0.306 0.000 1.074 276 L CA 2.844 57.483 54.840 -0.335 0.000 0.760 276 L CB -0.725 41.350 42.059 0.026 0.000 0.889 276 L HN 0.529 nan 8.230 nan 0.000 0.433 277 T N -3.536 110.932 114.554 -0.143 0.000 3.223 277 T HA 0.433 4.788 4.350 0.008 0.000 0.259 277 T C 1.140 175.786 174.700 -0.090 0.000 1.015 277 T CA 0.078 62.113 62.100 -0.108 0.000 0.908 277 T CB -0.490 68.344 68.868 -0.057 0.000 1.054 277 T HN 0.725 nan 8.240 nan 0.000 0.567 278 G N 0.860 109.586 108.800 -0.124 0.000 2.225 278 G HA2 0.068 4.033 3.960 0.008 0.000 0.267 278 G HA3 0.068 4.033 3.960 0.008 0.000 0.267 278 G C 0.988 175.824 174.900 -0.108 0.000 1.024 278 G CA 0.145 45.189 45.100 -0.092 0.000 0.784 278 G HN 1.895 nan 8.290 nan 0.000 0.507 279 G N -1.793 106.959 108.800 -0.081 0.000 2.246 279 G HA2 -0.002 3.963 3.960 0.008 0.000 0.273 279 G HA3 -0.002 3.963 3.960 0.008 0.000 0.273 279 G C 1.075 175.966 174.900 -0.015 0.000 1.055 279 G CA 1.627 46.701 45.100 -0.044 0.000 0.851 279 G HN 2.106 nan 8.290 nan 0.000 0.500 280 T N -3.286 111.261 114.554 -0.011 0.000 3.034 280 T HA 0.567 4.922 4.350 0.008 0.000 0.248 280 T C 1.031 175.735 174.700 0.007 0.000 1.040 280 T CA 1.405 63.506 62.100 0.002 0.000 1.107 280 T CB 0.168 69.028 68.868 -0.013 0.000 0.932 280 T HN 1.684 nan 8.240 nan 0.000 0.474 281 M N -0.622 118.979 119.600 0.001 0.000 3.069 281 M HA 0.448 4.933 4.480 0.008 0.000 0.274 281 M C -1.765 174.534 176.300 -0.001 0.000 1.146 281 M CA -0.829 54.468 55.300 -0.006 0.000 0.807 281 M CB 1.442 34.025 32.600 -0.028 0.000 1.621 281 M HN -0.175 nan 8.290 nan 0.000 0.521 282 T N 1.638 116.185 114.554 -0.011 0.000 2.832 282 T HA 0.688 5.043 4.350 0.008 0.000 0.296 282 T C -1.299 173.397 174.700 -0.007 0.000 0.968 282 T CA -0.169 61.933 62.100 0.003 0.000 1.107 282 T CB 0.309 69.178 68.868 0.002 0.000 0.916 282 T HN 0.515 nan 8.240 nan 0.000 0.517 283 L N 3.622 124.853 121.223 0.014 0.000 2.582 283 L HA 0.711 5.056 4.340 0.008 0.000 0.257 283 L C -0.972 175.925 176.870 0.044 0.000 0.974 283 L CA -0.290 54.560 54.840 0.018 0.000 0.851 283 L CB 2.291 44.352 42.059 0.003 0.000 1.424 283 L HN 0.669 nan 8.230 nan 0.000 0.412 284 S N 1.211 116.943 115.700 0.052 0.000 2.588 284 S HA 1.005 5.480 4.470 0.008 0.000 0.275 284 S C -1.633 173.016 174.600 0.080 0.000 1.130 284 S CA 0.055 58.298 58.200 0.072 0.000 0.855 284 S CB 1.885 65.128 63.200 0.072 0.000 1.116 284 S HN 1.091 nan 8.310 nan 0.000 0.472 285 A N 1.787 124.661 122.820 0.090 0.000 2.437 285 A HA 0.688 5.013 4.320 0.008 0.000 0.293 285 A C -0.984 176.635 177.584 0.058 0.000 1.038 285 A CA -0.536 51.554 52.037 0.088 0.000 0.708 285 A CB 1.571 20.633 19.000 0.104 0.000 1.251 285 A HN 0.558 nan 8.150 nan 0.000 0.409 286 T N 3.320 117.918 114.554 0.073 0.000 2.809 286 T HA 0.557 4.912 4.350 0.008 0.000 0.296 286 T C -0.592 174.101 174.700 -0.012 0.000 1.015 286 T CA -0.099 62.005 62.100 0.008 0.000 0.954 286 T CB 0.151 69.015 68.868 -0.007 0.000 0.950 286 T HN 0.401 nan 8.240 nan 0.000 0.450 287 L N 2.399 123.581 121.223 -0.068 0.000 2.334 287 L HA 0.880 5.225 4.340 0.008 0.000 0.270 287 L C 0.620 177.417 176.870 -0.122 0.000 1.018 287 L CA -0.317 54.477 54.840 -0.078 0.000 0.811 287 L CB 2.009 44.017 42.059 -0.086 0.000 1.271 287 L HN 0.579 nan 8.230 nan 0.000 0.443 288 T N -1.291 113.193 114.554 -0.117 0.000 2.731 288 T HA 0.534 4.889 4.350 0.008 0.000 0.300 288 T C -0.631 174.000 174.700 -0.114 0.000 1.283 288 T CA -0.117 61.897 62.100 -0.143 0.000 1.005 288 T CB 1.248 70.003 68.868 -0.188 0.000 1.420 288 T HN 0.830 nan 8.240 nan 0.000 0.503 289 T N -0.229 114.253 114.554 -0.120 0.000 2.788 289 T HA 0.329 4.684 4.350 0.008 0.000 0.287 289 T C 1.210 175.867 174.700 -0.072 0.000 1.007 289 T CA -0.330 61.716 62.100 -0.089 0.000 1.005 289 T CB 0.702 69.515 68.868 -0.092 0.000 1.012 289 T HN 0.717 nan 8.240 nan 0.000 0.530 290 R N -0.062 120.409 120.500 -0.047 0.000 2.148 290 R HA -0.027 4.318 4.340 0.008 0.000 0.223 290 R C 2.231 178.516 176.300 -0.026 0.000 1.088 290 R CA 0.912 56.993 56.100 -0.032 0.000 0.985 290 R CB -0.207 30.081 30.300 -0.020 0.000 0.880 290 R HN 0.821 nan 8.270 nan 0.000 0.451 291 E N 0.250 120.434 120.200 -0.027 0.000 2.072 291 E HA -0.119 4.236 4.350 0.008 0.000 0.191 291 E C 1.772 178.389 176.600 0.028 0.000 0.985 291 E CA 1.421 57.819 56.400 -0.003 0.000 0.801 291 E CB 0.184 29.884 29.700 -0.001 0.000 0.750 291 E HN 0.258 nan 8.360 nan 0.000 0.452 292 V N 1.501 121.400 119.914 -0.024 0.000 2.307 292 V HA -0.240 3.885 4.120 0.008 0.000 0.245 292 V C 2.647 178.737 176.094 -0.006 0.000 1.045 292 V CA 1.678 63.968 62.300 -0.016 0.000 1.024 292 V CB -1.069 30.608 31.823 -0.245 0.000 0.651 292 V HN 0.310 nan 8.190 nan 0.000 0.449 293 A N 0.047 122.836 122.820 -0.053 0.000 1.903 293 A HA -0.326 3.998 4.320 0.008 0.000 0.219 293 A C 2.182 179.764 177.584 -0.002 0.000 1.191 293 A CA 2.488 54.501 52.037 -0.041 0.000 0.638 293 A CB -0.522 18.458 19.000 -0.034 0.000 0.823 293 A HN 0.676 nan 8.150 nan 0.000 0.451 294 E N -1.601 118.599 120.200 0.000 0.000 2.122 294 E HA -0.050 4.305 4.350 0.008 0.000 0.190 294 E C 1.961 178.558 176.600 -0.005 0.000 0.977 294 E CA 1.158 57.559 56.400 0.002 0.000 0.820 294 E CB -0.172 29.525 29.700 -0.005 0.000 0.770 294 E HN 0.574 nan 8.360 nan 0.000 0.462 295 T N 1.175 115.726 114.554 -0.005 0.000 2.915 295 T HA -0.031 4.324 4.350 0.008 0.000 0.269 295 T C 1.857 176.522 174.700 -0.058 0.000 1.071 295 T CA 0.657 62.716 62.100 -0.067 0.000 1.132 295 T CB -0.028 68.741 68.868 -0.166 0.000 0.878 295 T HN 0.091 nan 8.240 nan 0.000 0.479 296 I N 0.974 121.551 120.570 0.012 0.000 2.406 296 I HA -0.079 4.096 4.170 0.008 0.000 0.249 296 I C 2.324 178.474 176.117 0.054 0.000 1.122 296 I CA 0.840 62.166 61.300 0.044 0.000 1.431 296 I CB -0.110 37.941 38.000 0.085 0.000 1.087 296 I HN 0.132 nan 8.210 nan 0.000 0.424 297 S N -0.059 115.670 115.700 0.048 0.000 2.496 297 S HA -0.056 4.419 4.470 0.008 0.000 0.224 297 S C 1.096 175.710 174.600 0.024 0.000 0.996 297 S CA 0.643 58.874 58.200 0.052 0.000 0.927 297 S CB -0.122 63.109 63.200 0.052 0.000 0.774 297 S HN 0.378 nan 8.310 nan 0.000 0.524 298 D N 1.414 121.816 120.400 0.004 0.000 2.339 298 D HA 0.209 4.854 4.640 0.008 0.000 0.217 298 D C 1.088 177.380 176.300 -0.013 0.000 1.050 298 D CA 0.088 54.083 54.000 -0.008 0.000 0.856 298 D CB -0.081 40.707 40.800 -0.020 0.000 0.922 298 D HN 0.362 nan 8.370 nan 0.000 0.518 299 G N 0.139 108.933 108.800 -0.009 0.000 2.588 299 G HA2 0.040 4.005 3.960 0.008 0.000 0.281 299 G HA3 0.040 4.005 3.960 0.008 0.000 0.281 299 G C 0.912 175.812 174.900 -0.001 0.000 1.236 299 G CA -0.401 44.692 45.100 -0.012 0.000 0.969 299 G HN -0.039 nan 8.290 nan 0.000 0.504 300 E N -0.692 119.507 120.200 -0.001 0.000 2.172 300 E HA -0.326 4.029 4.350 0.008 0.000 0.213 300 E C 2.630 179.232 176.600 0.003 0.000 1.051 300 E CA 2.070 58.471 56.400 0.001 0.000 0.860 300 E CB -0.150 29.552 29.700 0.002 0.000 0.755 300 E HN 0.483 nan 8.360 nan 0.000 0.462 301 A N -1.004 121.821 122.820 0.009 0.000 1.970 301 A HA 0.153 4.478 4.320 0.008 0.000 0.216 301 A C 2.019 179.610 177.584 0.011 0.000 1.170 301 A CA 1.438 53.480 52.037 0.007 0.000 0.645 301 A CB -0.284 18.721 19.000 0.008 0.000 0.816 301 A HN 0.525 nan 8.150 nan 0.000 0.447 302 G N -2.230 106.581 108.800 0.018 0.000 2.176 302 G HA2 -0.224 3.741 3.960 0.008 0.000 0.253 302 G HA3 -0.224 3.741 3.960 0.008 0.000 0.253 302 G C 0.451 175.373 174.900 0.037 0.000 0.979 302 G CA 0.497 45.609 45.100 0.020 0.000 0.641 302 G HN 2.152 nan 8.290 nan 0.000 0.530 303 C N -2.343 116.989 119.300 0.053 0.000 3.303 303 C HA 0.702 5.167 4.460 0.008 0.000 0.340 303 C C -0.228 174.843 174.990 0.135 0.000 1.274 303 C CA -1.474 57.597 59.018 0.089 0.000 1.234 303 C CB 0.700 28.479 27.740 0.064 0.000 1.532 303 C HN 1.360 nan 8.230 nan 0.000 0.483 304 F N 3.889 123.863 119.950 0.040 0.000 2.472 304 F HA 0.570 5.103 4.527 0.009 0.000 0.364 304 F C 0.650 176.473 175.800 0.039 0.000 1.090 304 F CA -0.831 57.181 58.000 0.021 0.000 1.188 304 F CB 0.792 39.789 39.000 -0.004 0.000 1.105 304 F HN 0.624 nan 8.300 nan 0.000 0.536 305 M N 7.508 126.768 119.600 -0.567 0.000 3.586 305 M HA 0.136 4.621 4.480 0.008 0.000 0.225 305 M C -1.013 174.914 176.300 -0.621 0.000 1.428 305 M CA 0.477 55.509 55.300 -0.445 0.000 1.613 305 M CB -1.603 30.855 32.600 -0.237 0.000 1.063 305 M HN 0.728 nan 8.290 nan 0.000 0.593 306 H N -1.089 117.538 119.070 -0.739 0.000 3.037 306 H HA 0.668 5.229 4.556 0.009 0.000 0.355 306 H C -0.405 174.986 175.328 0.105 0.000 1.263 306 H CA -0.239 55.549 56.048 -0.434 0.000 1.129 306 H CB 2.096 31.395 29.762 -0.771 0.000 1.861 306 H HN 0.515 nan 8.280 nan 0.000 0.546 307 G N 3.637 112.633 108.800 0.328 0.000 3.247 307 G HA2 0.126 4.091 3.960 0.008 0.000 0.243 307 G HA3 0.126 4.091 3.960 0.008 0.000 0.243 307 G C -3.132 171.903 174.900 0.225 0.000 3.838 307 G CA -0.839 44.496 45.100 0.391 0.000 0.438 307 G HN 0.435 nan 8.290 nan 0.000 0.304 308 P HA 0.364 nan 4.420 nan 0.000 0.277 308 P C 1.313 178.692 177.300 0.132 0.000 1.240 308 P CA -0.164 63.049 63.100 0.189 0.000 0.798 308 P CB 1.157 33.010 31.700 0.255 0.000 0.979 309 T N 0.683 115.277 114.554 0.065 0.000 2.649 309 T HA -0.183 4.172 4.350 0.008 0.000 0.268 309 T C 0.969 175.602 174.700 -0.113 0.000 1.036 309 T CA 1.765 63.822 62.100 -0.072 0.000 1.157 309 T CB -0.729 68.018 68.868 -0.202 0.000 0.861 309 T HN 0.397 nan 8.240 nan 0.000 0.445 310 F N 0.660 120.643 119.950 0.054 0.000 2.663 310 F HA 0.417 4.948 4.527 0.007 0.000 0.299 310 F C 0.805 176.656 175.800 0.086 0.000 1.143 310 F CA -0.693 57.325 58.000 0.029 0.000 1.387 310 F CB -0.520 38.394 39.000 -0.144 0.000 1.019 310 F HN 0.103 nan 8.300 nan 0.000 0.523 311 M N 0.597 120.309 119.600 0.187 0.000 2.286 311 M HA 0.145 4.630 4.480 0.008 0.000 0.365 311 M C 1.290 177.473 176.300 -0.194 0.000 1.443 311 M CA 1.397 56.713 55.300 0.027 0.000 0.951 311 M CB 0.046 32.676 32.600 0.051 0.000 1.961 311 M HN 0.490 nan 8.290 nan 0.000 0.468 312 G N 3.697 112.253 108.800 -0.407 0.000 2.160 312 G HA2 -0.324 3.641 3.960 0.008 0.000 0.251 312 G HA3 -0.324 3.641 3.960 0.008 0.000 0.251 312 G C 0.148 174.930 174.900 -0.198 0.000 1.008 312 G CA 0.376 45.046 45.100 -0.716 0.000 0.724 312 G HN 0.997 nan 8.290 nan 0.000 0.514 313 N N 0.866 119.587 118.700 0.036 0.000 2.202 313 N HA -0.009 4.736 4.740 0.008 0.000 0.283 313 N C -0.346 175.187 175.510 0.038 0.000 1.391 313 N CA -0.105 53.061 53.050 0.194 0.000 0.910 313 N CB 0.635 39.220 38.487 0.163 0.000 1.267 313 N HN 0.136 nan 8.380 nan 0.000 0.493 314 P HA -0.210 nan 4.420 nan 0.000 0.216 314 P C 1.649 178.905 177.300 -0.074 0.000 1.154 314 P CA 0.691 63.659 63.100 -0.219 0.000 0.865 314 P CB 0.190 31.629 31.700 -0.434 0.000 0.789 315 L N -0.297 120.907 121.223 -0.031 0.000 1.989 315 L HA -0.176 4.169 4.340 0.008 0.000 0.211 315 L C 2.361 179.218 176.870 -0.022 0.000 1.071 315 L CA 2.320 57.148 54.840 -0.020 0.000 0.749 315 L CB -1.716 40.339 42.059 -0.007 0.000 0.890 315 L HN -0.090 nan 8.230 nan 0.000 0.431 316 A N -1.653 121.157 122.820 -0.018 0.000 1.908 316 A HA -0.274 4.051 4.320 0.008 0.000 0.218 316 A C 2.424 179.994 177.584 -0.024 0.000 1.181 316 A CA 1.992 54.015 52.037 -0.024 0.000 0.627 316 A CB -1.507 17.479 19.000 -0.023 0.000 0.818 316 A HN 0.631 nan 8.150 nan 0.000 0.445 317 C N -1.161 118.131 119.300 -0.014 0.000 2.422 317 C HA 0.067 4.532 4.460 0.008 0.000 0.279 317 C C 3.297 178.281 174.990 -0.011 0.000 1.305 317 C CA 0.708 59.722 59.018 -0.006 0.000 1.757 317 C CB -1.355 26.404 27.740 0.030 0.000 1.962 317 C HN 0.702 nan 8.230 nan 0.000 0.499 318 A N 0.452 123.263 122.820 -0.015 0.000 1.898 318 A HA 0.094 4.419 4.320 0.008 0.000 0.216 318 A C 2.382 179.946 177.584 -0.034 0.000 1.181 318 A CA 1.936 53.961 52.037 -0.020 0.000 0.620 318 A CB -0.919 18.068 19.000 -0.021 0.000 0.819 318 A HN 0.550 nan 8.150 nan 0.000 0.442 319 A N -0.041 122.756 122.820 -0.038 0.000 1.908 319 A HA 0.118 4.443 4.320 0.008 0.000 0.218 319 A C 2.499 180.039 177.584 -0.073 0.000 1.181 319 A CA 2.207 54.212 52.037 -0.052 0.000 0.627 319 A CB -1.018 17.955 19.000 -0.044 0.000 0.818 319 A HN 1.051 nan 8.150 nan 0.000 0.445 320 A N 0.257 123.037 122.820 -0.067 0.000 1.877 320 A HA -0.212 4.113 4.320 0.008 0.000 0.216 320 A C 1.962 179.490 177.584 -0.093 0.000 1.186 320 A CA 1.818 53.800 52.037 -0.093 0.000 0.620 320 A CB -0.656 18.302 19.000 -0.069 0.000 0.822 320 A HN 0.541 nan 8.150 nan 0.000 0.443 321 N N 0.418 119.083 118.700 -0.058 0.000 2.120 321 N HA -0.119 4.626 4.740 0.008 0.000 0.188 321 N C 1.883 177.353 175.510 -0.067 0.000 1.024 321 N CA 1.553 54.576 53.050 -0.046 0.000 0.852 321 N CB -0.591 37.886 38.487 -0.018 0.000 1.003 321 N HN 0.476 nan 8.380 nan 0.000 0.424 322 A N 0.133 122.905 122.820 -0.081 0.000 1.933 322 A HA -0.132 4.193 4.320 0.008 0.000 0.218 322 A C 2.510 179.979 177.584 -0.191 0.000 1.175 322 A CA 1.965 53.933 52.037 -0.115 0.000 0.628 322 A CB -0.817 18.119 19.000 -0.108 0.000 0.814 322 A HN 0.323 nan 8.150 nan 0.000 0.444 323 S N -0.515 115.077 115.700 -0.179 0.000 2.357 323 S HA -0.057 4.418 4.470 0.008 0.000 0.221 323 S C 1.912 176.445 174.600 -0.111 0.000 1.031 323 S CA 1.306 59.408 58.200 -0.164 0.000 0.982 323 S CB -0.481 62.675 63.200 -0.074 0.000 0.853 323 S HN 0.485 nan 8.310 nan 0.000 0.458 324 L N 1.311 122.454 121.223 -0.133 0.000 2.131 324 L HA -0.057 4.288 4.340 0.008 0.000 0.210 324 L C 2.874 179.722 176.870 -0.036 0.000 1.092 324 L CA 1.104 55.884 54.840 -0.100 0.000 0.759 324 L CB -0.694 41.320 42.059 -0.074 0.000 0.903 324 L HN 0.375 nan 8.230 nan 0.000 0.435 325 A N 0.546 123.333 122.820 -0.055 0.000 1.940 325 A HA -0.182 4.143 4.320 0.008 0.000 0.219 325 A C 2.240 179.807 177.584 -0.027 0.000 1.176 325 A CA 1.630 53.648 52.037 -0.032 0.000 0.631 325 A CB -0.640 18.331 19.000 -0.048 0.000 0.814 325 A HN 0.383 nan 8.150 nan 0.000 0.446 326 I N -0.623 119.886 120.570 -0.103 0.000 2.252 326 I HA -0.233 3.942 4.170 0.008 0.000 0.245 326 I C 2.339 178.530 176.117 0.123 0.000 1.102 326 I CA 0.970 62.222 61.300 -0.080 0.000 1.385 326 I CB -0.344 37.411 38.000 -0.409 0.000 1.064 326 I HN 0.273 nan 8.210 nan 0.000 0.414 327 L N 0.442 121.757 121.223 0.154 0.000 2.046 327 L HA -0.207 4.138 4.340 0.008 0.000 0.208 327 L C 2.543 179.609 176.870 0.327 0.000 1.077 327 L CA 1.441 56.431 54.840 0.251 0.000 0.747 327 L CB -0.652 41.405 42.059 -0.003 0.000 0.896 327 L HN 0.249 nan 8.230 nan 0.000 0.432 328 E N -0.615 119.693 120.200 0.181 0.000 2.171 328 E HA -0.266 4.089 4.350 0.008 0.000 0.197 328 E C 2.280 178.974 176.600 0.157 0.000 0.997 328 E CA 1.369 57.867 56.400 0.163 0.000 0.810 328 E CB -0.225 29.532 29.700 0.095 0.000 0.738 328 E HN 0.341 nan 8.360 nan 0.000 0.467 329 S N -0.754 115.034 115.700 0.147 0.000 2.420 329 S HA -0.175 4.300 4.470 0.008 0.000 0.237 329 S C 1.702 176.355 174.600 0.087 0.000 1.023 329 S CA 1.533 59.798 58.200 0.109 0.000 0.991 329 S CB -0.427 62.841 63.200 0.112 0.000 0.792 329 S HN 0.573 nan 8.310 nan 0.000 0.488 330 G N 0.580 109.468 108.800 0.146 0.000 2.234 330 G HA2 -0.287 3.678 3.960 0.008 0.000 0.260 330 G HA3 -0.287 3.678 3.960 0.008 0.000 0.260 330 G C 0.497 175.234 174.900 -0.271 0.000 0.987 330 G CA 0.732 45.784 45.100 -0.079 0.000 0.625 330 G HN 0.555 nan 8.290 nan 0.000 0.532 331 D N 0.229 120.611 120.400 -0.029 0.000 2.271 331 D HA -0.115 4.530 4.640 0.008 0.000 0.207 331 D C 2.250 178.547 176.300 -0.005 0.000 0.983 331 D CA 1.407 55.396 54.000 -0.018 0.000 0.878 331 D CB -0.490 40.356 40.800 0.077 0.000 0.920 331 D HN 0.892 nan 8.370 nan 0.000 0.479 332 W N 1.525 122.851 121.300 0.043 0.000 2.350 332 W HA -0.192 4.473 4.660 0.009 0.000 0.289 332 W C 1.759 178.198 176.519 -0.133 0.000 1.215 332 W CA 0.602 57.932 57.345 -0.026 0.000 1.236 332 W CB -1.071 28.419 29.460 0.050 0.000 1.130 332 W HN 0.059 nan 8.180 nan 0.000 0.541 333 Q N 1.110 120.279 119.800 -1.052 0.000 2.112 333 Q HA -0.315 4.030 4.340 0.008 0.000 0.206 333 Q C 2.458 178.214 176.000 -0.406 0.000 0.987 333 Q CA 2.708 57.902 55.803 -1.016 0.000 0.858 333 Q CB -0.254 27.873 28.738 -1.018 0.000 0.905 333 Q HN 0.283 nan 8.270 nan 0.000 0.420 334 Q N -0.476 119.160 119.800 -0.273 0.000 2.302 334 Q HA -0.044 4.301 4.340 0.008 0.000 0.202 334 Q C 1.693 177.642 176.000 -0.085 0.000 0.936 334 Q CA 1.040 56.755 55.803 -0.147 0.000 0.886 334 Q CB 0.251 28.922 28.738 -0.111 0.000 0.986 334 Q HN 0.408 nan 8.270 nan 0.000 0.487 335 Q N -1.148 118.613 119.800 -0.065 0.000 2.050 335 Q HA -0.119 4.226 4.340 0.008 0.000 0.202 335 Q C 1.870 177.846 176.000 -0.040 0.000 0.980 335 Q CA 1.846 57.643 55.803 -0.011 0.000 0.840 335 Q CB 0.083 28.857 28.738 0.059 0.000 0.898 335 Q HN 0.249 nan 8.270 nan 0.000 0.424 336 V N 0.222 120.075 119.914 -0.102 0.000 2.453 336 V HA -0.203 3.922 4.120 0.008 0.000 0.247 336 V C 2.094 178.167 176.094 -0.035 0.000 1.048 336 V CA 1.569 63.813 62.300 -0.092 0.000 1.049 336 V CB -0.825 30.933 31.823 -0.108 0.000 0.672 336 V HN 0.416 nan 8.190 nan 0.000 0.457 337 A N -0.134 122.655 122.820 -0.051 0.000 1.933 337 A HA -0.235 4.090 4.320 0.008 0.000 0.218 337 A C 1.962 179.535 177.584 -0.019 0.000 1.175 337 A CA 2.063 54.078 52.037 -0.035 0.000 0.628 337 A CB -0.517 18.446 19.000 -0.062 0.000 0.814 337 A HN 0.522 nan 8.150 nan 0.000 0.444 338 D N -0.075 120.313 120.400 -0.020 0.000 2.103 338 D HA -0.049 4.596 4.640 0.008 0.000 0.199 338 D C 1.844 178.148 176.300 0.007 0.000 0.978 338 D CA 0.993 54.989 54.000 -0.006 0.000 0.829 338 D CB -0.301 40.496 40.800 -0.004 0.000 0.981 338 D HN 0.487 nan 8.370 nan 0.000 0.464 339 I N 0.889 121.466 120.570 0.012 0.000 2.286 339 I HA -0.216 3.959 4.170 0.008 0.000 0.248 339 I C 2.376 178.507 176.117 0.024 0.000 1.115 339 I CA 0.985 62.300 61.300 0.025 0.000 1.392 339 I CB -0.189 37.835 38.000 0.039 0.000 1.065 339 I HN 0.050 nan 8.210 nan 0.000 0.418 340 E N 0.923 121.135 120.200 0.020 0.000 2.077 340 E HA -0.199 4.156 4.350 0.008 0.000 0.193 340 E C 2.337 178.950 176.600 0.022 0.000 0.989 340 E CA 1.522 57.937 56.400 0.026 0.000 0.800 340 E CB 0.161 29.876 29.700 0.027 0.000 0.746 340 E HN 0.273 nan 8.360 nan 0.000 0.452 341 V N 1.056 120.979 119.914 0.015 0.000 2.295 341 V HA -0.261 3.864 4.120 0.008 0.000 0.246 341 V C 2.541 178.645 176.094 0.016 0.000 1.049 341 V CA 1.991 64.299 62.300 0.014 0.000 1.024 341 V CB -0.536 31.292 31.823 0.008 0.000 0.648 341 V HN 0.357 nan 8.190 nan 0.000 0.447 342 Q N -0.724 119.086 119.800 0.017 0.000 2.119 342 Q HA -0.134 4.210 4.340 0.008 0.000 0.201 342 Q C 2.309 178.321 176.000 0.021 0.000 0.972 342 Q CA 1.361 57.175 55.803 0.018 0.000 0.847 342 Q CB -0.037 28.712 28.738 0.018 0.000 0.903 342 Q HN 0.582 nan 8.270 nan 0.000 0.433 343 L N -0.092 121.145 121.223 0.024 0.000 1.976 343 L HA -0.211 4.134 4.340 0.008 0.000 0.209 343 L C 2.641 179.528 176.870 0.028 0.000 1.071 343 L CA 1.284 56.140 54.840 0.027 0.000 0.746 343 L CB -0.440 41.638 42.059 0.031 0.000 0.890 343 L HN 0.201 nan 8.230 nan 0.000 0.432 344 R N -0.268 120.248 120.500 0.027 0.000 2.105 344 R HA -0.218 4.127 4.340 0.008 0.000 0.239 344 R C 2.137 178.452 176.300 0.025 0.000 1.135 344 R CA 1.568 57.684 56.100 0.026 0.000 0.967 344 R CB -0.261 30.053 30.300 0.023 0.000 0.861 344 R HN 0.463 nan 8.270 nan 0.000 0.442 345 E N 0.787 121.001 120.200 0.023 0.000 2.006 345 E HA -0.186 4.169 4.350 0.008 0.000 0.192 345 E C 1.909 178.524 176.600 0.025 0.000 0.993 345 E CA 1.141 57.554 56.400 0.022 0.000 0.808 345 E CB 0.141 29.853 29.700 0.019 0.000 0.764 345 E HN 0.346 nan 8.360 nan 0.000 0.449 346 Q N -0.184 119.632 119.800 0.026 0.000 2.435 346 Q HA -0.024 4.321 4.340 0.008 0.000 0.207 346 Q C 1.987 178.008 176.000 0.035 0.000 0.956 346 Q CA 0.397 56.218 55.803 0.029 0.000 0.917 346 Q CB 0.262 29.015 28.738 0.026 0.000 0.997 346 Q HN 0.353 nan 8.270 nan 0.000 0.497 347 L N -0.249 120.996 121.223 0.036 0.000 2.529 347 L HA 0.106 4.451 4.340 0.008 0.000 0.223 347 L C 2.255 179.150 176.870 0.042 0.000 1.113 347 L CA 0.056 54.922 54.840 0.044 0.000 0.861 347 L CB -0.268 41.818 42.059 0.046 0.000 1.012 347 L HN 0.150 nan 8.230 nan 0.000 0.461 348 A N 1.419 124.260 122.820 0.035 0.000 1.883 348 A HA -0.142 4.183 4.320 0.008 0.000 0.217 348 A C -0.110 177.493 177.584 0.032 0.000 1.186 348 A CA 1.626 53.681 52.037 0.031 0.000 0.624 348 A CB -1.705 17.311 19.000 0.026 0.000 0.822 348 A HN 0.255 nan 8.150 nan 0.000 0.444 349 P HA -0.152 nan 4.420 nan 0.000 0.217 349 P C 1.610 178.931 177.300 0.035 0.000 1.148 349 P CA 1.753 64.872 63.100 0.032 0.000 0.828 349 P CB -0.146 31.576 31.700 0.036 0.000 0.783 350 A N 0.843 123.689 122.820 0.044 0.000 1.986 350 A HA -0.251 4.074 4.320 0.008 0.000 0.220 350 A C 2.091 179.698 177.584 0.039 0.000 1.171 350 A CA 1.555 53.622 52.037 0.051 0.000 0.640 350 A CB -1.020 18.019 19.000 0.066 0.000 0.811 350 A HN 0.262 nan 8.150 nan 0.000 0.451 351 R N -0.402 120.118 120.500 0.033 0.000 2.237 351 R HA -0.024 4.321 4.340 0.008 0.000 0.219 351 R C 0.328 176.638 176.300 0.016 0.000 1.080 351 R CA 1.193 57.308 56.100 0.025 0.000 0.995 351 R CB -0.463 29.852 30.300 0.025 0.000 0.875 351 R HN 0.406 nan 8.270 nan 0.000 0.462 352 D N 1.339 121.748 120.400 0.015 0.000 2.340 352 D HA 0.109 4.754 4.640 0.008 0.000 0.220 352 D C -0.026 176.274 176.300 0.001 0.000 1.039 352 D CA 0.178 54.183 54.000 0.008 0.000 0.866 352 D CB 0.486 41.292 40.800 0.010 0.000 0.913 352 D HN 0.248 nan 8.370 nan 0.000 0.523 353 A N 1.081 123.902 122.820 0.002 0.000 2.362 353 A HA 0.067 4.392 4.320 0.008 0.000 0.276 353 A C 1.313 178.876 177.584 -0.035 0.000 1.153 353 A CA -0.267 51.763 52.037 -0.013 0.000 0.813 353 A CB 0.781 19.782 19.000 0.001 0.000 1.081 353 A HN -0.027 nan 8.150 nan 0.000 0.507 354 E N 1.655 121.823 120.200 -0.054 0.000 2.209 354 E HA -0.198 4.157 4.350 0.008 0.000 0.196 354 E C 0.846 177.390 176.600 -0.093 0.000 0.993 354 E CA 1.375 57.736 56.400 -0.065 0.000 0.819 354 E CB 0.014 29.669 29.700 -0.074 0.000 0.745 354 E HN 0.764 nan 8.360 nan 0.000 0.477 355 M N -0.147 119.360 119.600 -0.154 0.000 2.495 355 M HA 0.028 4.513 4.480 0.008 0.000 0.237 355 M C -0.293 175.920 176.300 -0.144 0.000 1.131 355 M CA 0.221 55.371 55.300 -0.250 0.000 1.032 355 M CB 0.960 33.202 32.600 -0.596 0.000 1.513 355 M HN -0.295 nan 8.290 nan 0.000 0.488 356 V N 0.289 120.166 119.914 -0.061 0.000 2.370 356 V HA 0.478 4.603 4.120 0.008 0.000 0.283 356 V C 0.872 176.968 176.094 0.004 0.000 1.023 356 V CA -0.260 62.036 62.300 -0.005 0.000 0.857 356 V CB 0.911 32.746 31.823 0.021 0.000 0.985 356 V HN 0.328 nan 8.190 nan 0.000 0.443 357 A N 3.795 126.624 122.820 0.016 0.000 1.878 357 A HA 0.177 4.502 4.320 0.008 0.000 0.213 357 A C 0.677 178.274 177.584 0.022 0.000 1.192 357 A CA 1.086 53.131 52.037 0.013 0.000 0.619 357 A CB 0.008 19.015 19.000 0.010 0.000 0.837 357 A HN 0.776 nan 8.150 nan 0.000 0.446 358 D N -2.652 117.769 120.400 0.036 0.000 2.736 358 D HA 0.483 5.128 4.640 0.008 0.000 0.223 358 D C -1.726 174.605 176.300 0.052 0.000 1.231 358 D CA -0.219 53.805 54.000 0.040 0.000 0.818 358 D CB 2.139 42.962 40.800 0.038 0.000 1.587 358 D HN -0.015 nan 8.370 nan 0.000 0.463 359 V N 3.140 123.083 119.914 0.048 0.000 2.409 359 V HA 0.660 4.785 4.120 0.008 0.000 0.290 359 V C -0.687 175.435 176.094 0.047 0.000 1.017 359 V CA -0.684 61.648 62.300 0.054 0.000 0.841 359 V CB 1.198 33.051 31.823 0.051 0.000 1.003 359 V HN 0.548 nan 8.190 nan 0.000 0.426 360 R N 3.783 124.313 120.500 0.050 0.000 2.686 360 R HA 0.916 5.261 4.340 0.008 0.000 0.283 360 R C -1.553 174.773 176.300 0.043 0.000 0.978 360 R CA -0.805 55.320 56.100 0.041 0.000 0.897 360 R CB 2.195 32.518 30.300 0.039 0.000 1.192 360 R HN 0.309 nan 8.270 nan 0.000 0.457 361 V N 2.973 122.907 119.914 0.033 0.000 2.656 361 V HA 0.592 4.716 4.120 0.008 0.000 0.307 361 V C -1.310 174.799 176.094 0.025 0.000 1.051 361 V CA -0.845 61.476 62.300 0.036 0.000 0.893 361 V CB 1.968 33.813 31.823 0.036 0.000 0.999 361 V HN 0.642 nan 8.190 nan 0.000 0.426 362 L N 3.839 125.083 121.223 0.035 0.000 2.470 362 L HA 0.872 5.217 4.340 0.008 0.000 0.268 362 L C 0.458 177.370 176.870 0.071 0.000 0.964 362 L CA 1.289 56.148 54.840 0.030 0.000 0.839 362 L CB 1.461 43.513 42.059 -0.013 0.000 1.276 362 L HN 1.030 nan 8.230 nan 0.000 0.403 363 G N 3.818 112.664 108.800 0.078 0.000 2.611 363 G HA2 -0.215 3.750 3.960 0.008 0.000 0.301 363 G HA3 -0.215 3.750 3.960 0.008 0.000 0.301 363 G C 0.476 175.423 174.900 0.078 0.000 1.233 363 G CA 0.423 45.578 45.100 0.092 0.000 0.993 363 G HN 1.720 nan 8.290 nan 0.000 0.553 364 A N -0.024 122.855 122.820 0.099 0.000 2.988 364 A HA 0.669 4.994 4.320 0.008 0.000 0.288 364 A C 0.345 177.985 177.584 0.094 0.000 1.385 364 A CA 0.143 52.238 52.037 0.097 0.000 1.001 364 A CB -0.541 18.539 19.000 0.134 0.000 1.071 364 A HN 0.789 nan 8.150 nan 0.000 0.608 365 I N 0.460 121.079 120.570 0.082 0.000 2.476 365 I HA 0.413 4.588 4.170 0.008 0.000 0.281 365 I C 0.333 176.486 176.117 0.059 0.000 1.040 365 I CA -0.470 60.867 61.300 0.062 0.000 1.094 365 I CB 2.036 40.100 38.000 0.107 0.000 1.219 365 I HN 0.267 nan 8.210 nan 0.000 0.450 366 G N 5.658 114.493 108.800 0.058 0.000 2.422 366 G HA2 0.631 4.595 3.960 0.008 0.000 0.317 366 G HA3 0.631 4.595 3.960 0.008 0.000 0.317 366 G C -0.944 174.016 174.900 0.100 0.000 1.210 366 G CA -0.391 44.748 45.100 0.065 0.000 0.930 366 G HN 0.287 nan 8.290 nan 0.000 0.468 367 V N 2.842 122.812 119.914 0.094 0.000 2.487 367 V HA 0.460 4.584 4.120 0.008 0.000 0.298 367 V C -0.443 175.716 176.094 0.108 0.000 1.028 367 V CA -0.697 61.675 62.300 0.119 0.000 0.860 367 V CB 1.904 33.775 31.823 0.080 0.000 0.991 367 V HN 0.493 nan 8.190 nan 0.000 0.427 368 V N 4.808 124.803 119.914 0.134 0.000 2.357 368 V HA 0.375 4.500 4.120 0.008 0.000 0.281 368 V C -0.060 176.123 176.094 0.148 0.000 1.015 368 V CA -0.455 61.921 62.300 0.126 0.000 0.827 368 V CB 1.552 33.453 31.823 0.130 0.000 1.018 368 V HN 0.964 nan 8.190 nan 0.000 0.432 369 E N 3.832 124.103 120.200 0.117 0.000 2.175 369 E HA 0.567 4.922 4.350 0.008 0.000 0.278 369 E C 0.010 176.672 176.600 0.103 0.000 0.969 369 E CA -0.429 56.040 56.400 0.115 0.000 0.796 369 E CB 1.542 31.291 29.700 0.082 0.000 1.104 369 E HN 0.731 nan 8.360 nan 0.000 0.395 370 T N 0.538 115.171 114.554 0.131 0.000 2.897 370 T HA 0.223 4.578 4.350 0.008 0.000 0.278 370 T C 1.129 175.865 174.700 0.060 0.000 0.981 370 T CA -0.103 62.059 62.100 0.103 0.000 0.973 370 T CB 1.349 70.344 68.868 0.213 0.000 1.092 370 T HN 0.520 nan 8.240 nan 0.000 0.543 371 T N -2.879 111.695 114.554 0.035 0.000 3.081 371 T HA 0.198 4.553 4.350 0.008 0.000 0.250 371 T C 0.366 174.964 174.700 -0.171 0.000 1.100 371 T CA 0.025 62.104 62.100 -0.036 0.000 1.038 371 T CB -0.469 68.384 68.868 -0.026 0.000 0.962 371 T HN 0.748 nan 8.240 nan 0.000 0.516 372 H N 0.882 119.959 119.070 0.012 0.000 2.895 372 H HA 0.382 4.943 4.556 0.008 0.000 0.373 372 H C -3.090 172.351 175.328 0.188 0.000 1.174 372 H CA -2.313 53.781 56.048 0.077 0.000 1.144 372 H CB 2.075 31.882 29.762 0.076 0.000 1.793 372 H HN 0.014 nan 8.280 nan 0.000 0.551 373 P HA -0.037 nan 4.420 nan 0.000 0.271 373 P C 0.145 177.554 177.300 0.181 0.000 1.216 373 P CA -0.373 62.813 63.100 0.143 0.000 0.776 373 P CB 0.622 32.346 31.700 0.041 0.000 0.881 374 V N 0.268 120.216 119.914 0.057 0.000 2.999 374 V HA 0.143 4.267 4.120 0.008 0.000 0.307 374 V C 0.731 176.757 176.094 -0.113 0.000 1.084 374 V CA -0.387 61.804 62.300 -0.182 0.000 1.155 374 V CB 0.083 31.788 31.823 -0.196 0.000 0.975 374 V HN 0.462 nan 8.190 nan 0.000 0.490 375 N N 4.476 123.074 118.700 -0.170 0.000 2.605 375 N HA 0.129 4.874 4.740 0.008 0.000 0.258 375 N C 0.919 176.389 175.510 -0.066 0.000 1.156 375 N CA -0.253 52.757 53.050 -0.067 0.000 1.008 375 N CB 0.524 38.995 38.487 -0.027 0.000 1.354 375 N HN 0.773 nan 8.380 nan 0.000 0.509 376 M N 1.556 121.136 119.600 -0.032 0.000 2.308 376 M HA -0.272 4.213 4.480 0.008 0.000 0.257 376 M C 1.878 178.174 176.300 -0.007 0.000 1.070 376 M CA 2.004 57.299 55.300 -0.008 0.000 1.080 376 M CB -1.602 31.027 32.600 0.048 0.000 1.274 376 M HN 0.578 nan 8.290 nan 0.000 0.434 377 A N -0.271 122.563 122.820 0.024 0.000 1.858 377 A HA -0.032 4.293 4.320 0.008 0.000 0.216 377 A C 2.434 180.031 177.584 0.022 0.000 1.190 377 A CA 2.718 54.783 52.037 0.046 0.000 0.617 377 A CB -1.165 17.865 19.000 0.050 0.000 0.827 377 A HN 0.559 nan 8.150 nan 0.000 0.443 378 A N -0.462 122.370 122.820 0.019 0.000 1.859 378 A HA -0.121 4.204 4.320 0.008 0.000 0.217 378 A C 2.178 179.666 177.584 -0.160 0.000 1.198 378 A CA 2.012 54.080 52.037 0.052 0.000 0.629 378 A CB -0.877 18.230 19.000 0.179 0.000 0.830 378 A HN 0.699 nan 8.150 nan 0.000 0.446 379 L N 0.064 121.104 121.223 -0.304 0.000 1.970 379 L HA -0.246 4.098 4.340 0.008 0.000 0.212 379 L C 2.698 179.232 176.870 -0.560 0.000 1.071 379 L CA 2.853 57.268 54.840 -0.708 0.000 0.751 379 L CB -1.029 40.707 42.059 -0.538 0.000 0.889 379 L HN 0.676 nan 8.230 nan 0.000 0.432 380 Q N -0.642 119.006 119.800 -0.254 0.000 2.197 380 Q HA -0.310 4.035 4.340 0.008 0.000 0.211 380 Q C 2.137 178.043 176.000 -0.156 0.000 0.993 380 Q CA 2.141 57.852 55.803 -0.153 0.000 0.883 380 Q CB -0.268 28.452 28.738 -0.031 0.000 0.916 380 Q HN 0.393 nan 8.270 nan 0.000 0.418 381 K N 0.083 120.438 120.400 -0.074 0.000 2.057 381 K HA -0.107 4.218 4.320 0.008 0.000 0.206 381 K C 1.901 178.434 176.600 -0.113 0.000 1.050 381 K CA 1.054 57.345 56.287 0.006 0.000 0.935 381 K CB -0.646 31.911 32.500 0.096 0.000 0.715 381 K HN 0.309 nan 8.250 nan 0.000 0.439 382 F N 0.479 120.160 119.950 -0.450 0.000 2.234 382 F HA -0.098 4.433 4.527 0.008 0.000 0.299 382 F C 1.785 177.316 175.800 -0.448 0.000 1.087 382 F CA 1.110 58.783 58.000 -0.544 0.000 1.340 382 F CB -0.344 37.986 39.000 -1.116 0.000 1.031 382 F HN -0.054 nan 8.300 nan 0.000 0.500 383 F N -0.677 118.973 119.950 -0.498 0.000 2.084 383 F HA -0.210 4.321 4.527 0.008 0.000 0.296 383 F C 2.423 177.958 175.800 -0.443 0.000 1.111 383 F CA 1.165 58.838 58.000 -0.544 0.000 1.224 383 F CB -0.876 37.842 39.000 -0.470 0.000 0.991 383 F HN -0.267 nan 8.300 nan 0.000 0.471 384 V N 0.434 120.238 119.914 -0.183 0.000 2.231 384 V HA -0.388 3.737 4.120 0.008 0.000 0.250 384 V C 2.085 178.088 176.094 -0.152 0.000 1.058 384 V CA 2.328 64.516 62.300 -0.186 0.000 1.022 384 V CB -0.656 30.963 31.823 -0.340 0.000 0.640 384 V HN 0.330 nan 8.190 nan 0.000 0.445 385 E N -0.672 119.427 120.200 -0.167 0.000 2.187 385 E HA -0.264 4.091 4.350 0.008 0.000 0.199 385 E C 2.169 178.663 176.600 -0.178 0.000 1.004 385 E CA 1.239 57.560 56.400 -0.132 0.000 0.813 385 E CB -0.119 29.523 29.700 -0.097 0.000 0.736 385 E HN 0.542 nan 8.360 nan 0.000 0.468 386 Q N -1.036 118.586 119.800 -0.297 0.000 2.482 386 Q HA 0.039 4.384 4.340 0.008 0.000 0.209 386 Q C 1.152 177.070 176.000 -0.136 0.000 0.961 386 Q CA 0.886 56.537 55.803 -0.253 0.000 0.945 386 Q CB 0.857 29.376 28.738 -0.366 0.000 1.012 386 Q HN 0.419 nan 8.270 nan 0.000 0.515 387 G N 0.556 109.290 108.800 -0.111 0.000 2.136 387 G HA2 -0.245 3.720 3.960 0.008 0.000 0.242 387 G HA3 -0.245 3.720 3.960 0.008 0.000 0.242 387 G C 0.180 175.043 174.900 -0.061 0.000 0.989 387 G CA 0.401 45.460 45.100 -0.069 0.000 0.682 387 G HN 0.367 nan 8.290 nan 0.000 0.522 388 V N -3.897 115.970 119.914 -0.079 0.000 2.823 388 V HA 0.865 4.990 4.120 0.008 0.000 0.312 388 V C -0.017 176.041 176.094 -0.059 0.000 1.072 388 V CA -1.638 60.612 62.300 -0.084 0.000 0.937 388 V CB 2.195 33.923 31.823 -0.159 0.000 1.013 388 V HN 0.598 nan 8.190 nan 0.000 0.430 389 W N 5.761 126.919 121.300 -0.237 0.000 2.329 389 W HA 0.740 5.405 4.660 0.008 0.000 0.312 389 W C -1.727 174.592 176.519 -0.333 0.000 1.054 389 W CA -0.839 56.347 57.345 -0.266 0.000 1.245 389 W CB 1.511 30.830 29.460 -0.234 0.000 1.255 389 W HN 0.635 nan 8.180 nan 0.000 0.436 390 I N 6.592 126.489 120.570 -1.122 0.000 2.497 390 I HA 0.163 4.338 4.170 0.008 0.000 0.284 390 I C -0.378 175.087 176.117 -1.088 0.000 1.060 390 I CA -0.835 59.822 61.300 -1.071 0.000 1.071 390 I CB 2.122 39.294 38.000 -1.381 0.000 1.216 390 I HN 0.282 nan 8.210 nan 0.000 0.442 391 R N 8.841 128.843 120.500 -0.831 0.000 2.230 391 R HA 0.447 4.792 4.340 0.008 0.000 0.337 391 R C -2.503 173.639 176.300 -0.264 0.000 1.063 391 R CA -1.517 54.293 56.100 -0.482 0.000 0.935 391 R CB 0.632 30.843 30.300 -0.149 0.000 1.121 391 R HN 0.282 nan 8.270 nan 0.000 0.486 392 P HA 0.218 nan 4.420 nan 0.000 0.276 392 P C -1.226 176.223 177.300 0.249 0.000 1.252 392 P CA -0.284 62.833 63.100 0.029 0.000 0.802 392 P CB 0.792 32.535 31.700 0.072 0.000 1.035 393 F N -0.348 119.692 119.950 0.151 0.000 2.608 393 F HA 0.503 5.034 4.527 0.008 0.000 0.309 393 F C 0.839 176.711 175.800 0.119 0.000 1.103 393 F CA 0.666 58.750 58.000 0.140 0.000 0.954 393 F CB 1.490 40.590 39.000 0.168 0.000 1.267 393 F HN 0.690 nan 8.300 nan 0.000 0.444 394 G N 4.804 113.178 108.800 -0.711 0.000 2.693 394 G HA2 -0.406 3.558 3.960 0.008 0.000 0.354 394 G HA3 -0.406 3.558 3.960 0.008 0.000 0.354 394 G C 0.607 175.392 174.900 -0.192 0.000 1.207 394 G CA 1.091 45.829 45.100 -0.603 0.000 0.958 394 G HN 0.804 nan 8.290 nan 0.000 0.560 395 K N 0.374 120.700 120.400 -0.125 0.000 2.500 395 K HA 0.446 4.771 4.320 0.008 0.000 0.206 395 K C -0.175 176.495 176.600 0.117 0.000 1.034 395 K CA -0.102 56.209 56.287 0.042 0.000 1.179 395 K CB 0.002 32.517 32.500 0.025 0.000 0.884 395 K HN 0.286 nan 8.250 nan 0.000 0.493 396 L N 1.253 122.568 121.223 0.153 0.000 2.381 396 L HA 0.519 4.864 4.340 0.008 0.000 0.274 396 L C -0.587 176.482 176.870 0.332 0.000 0.988 396 L CA -0.781 54.218 54.840 0.265 0.000 0.824 396 L CB 1.886 44.133 42.059 0.313 0.000 1.263 396 L HN -0.044 nan 8.230 nan 0.000 0.410 397 I N 3.882 124.623 120.570 0.284 0.000 2.389 397 I HA 0.444 4.619 4.170 0.008 0.000 0.288 397 I C -0.962 175.266 176.117 0.186 0.000 0.999 397 I CA -0.600 60.808 61.300 0.180 0.000 1.129 397 I CB 1.149 39.260 38.000 0.185 0.000 1.288 397 I HN 0.499 nan 8.210 nan 0.000 0.444 398 Y N 5.203 125.491 120.300 -0.021 0.000 2.597 398 Y HA 0.818 5.373 4.550 0.008 0.000 0.340 398 Y C -1.825 174.007 175.900 -0.114 0.000 1.097 398 Y CA -1.431 56.642 58.100 -0.044 0.000 1.037 398 Y CB 1.259 39.707 38.460 -0.020 0.000 1.305 398 Y HN 0.224 nan 8.280 nan 0.000 0.463 399 L N 3.744 124.980 121.223 0.022 0.000 2.362 399 L HA 0.668 5.013 4.340 0.008 0.000 0.271 399 L C -0.620 176.241 176.870 -0.015 0.000 1.002 399 L CA -1.252 53.543 54.840 -0.075 0.000 0.818 399 L CB 2.137 44.154 42.059 -0.070 0.000 1.298 399 L HN 0.973 nan 8.230 nan 0.000 0.420 400 M N 1.590 121.149 119.600 -0.069 0.000 3.303 400 M HA 0.367 4.852 4.480 0.008 0.000 0.371 400 M C -3.039 173.237 176.300 -0.040 0.000 1.569 400 M CA -1.154 54.093 55.300 -0.089 0.000 0.694 400 M CB 1.180 33.598 32.600 -0.303 0.000 2.534 400 M HN 0.069 nan 8.290 nan 0.000 0.447 401 P HA 0.587 nan 4.420 nan 0.000 0.280 401 P C -2.763 174.574 177.300 0.061 0.000 1.272 401 P CA -1.404 61.714 63.100 0.030 0.000 0.819 401 P CB 0.174 31.896 31.700 0.037 0.000 1.122 402 P HA -0.025 nan 4.420 nan 0.000 0.265 402 P C 0.829 178.220 177.300 0.152 0.000 1.187 402 P CA 0.412 63.507 63.100 -0.008 0.000 0.766 402 P CB -0.179 31.509 31.700 -0.020 0.000 0.820 403 Y N 2.578 122.888 120.300 0.016 0.000 2.241 403 Y HA -0.159 4.396 4.550 0.009 0.000 0.286 403 Y C 1.932 177.879 175.900 0.077 0.000 1.166 403 Y CA 0.988 59.125 58.100 0.063 0.000 1.203 403 Y CB -1.570 36.945 38.460 0.092 0.000 0.977 403 Y HN 0.359 nan 8.280 nan 0.000 0.529 404 I N -1.957 118.752 120.570 0.232 0.000 3.444 404 I HA 0.076 4.251 4.170 0.008 0.000 0.287 404 I C 0.890 177.076 176.117 0.115 0.000 1.302 404 I CA 0.162 61.562 61.300 0.166 0.000 1.368 404 I CB -0.460 37.634 38.000 0.157 0.000 1.048 404 I HN -0.046 nan 8.210 nan 0.000 0.487 405 I N 2.574 123.209 120.570 0.109 0.000 2.752 405 I HA 0.001 4.176 4.170 0.008 0.000 0.289 405 I C 0.021 176.175 176.117 0.062 0.000 1.197 405 I CA 0.092 61.438 61.300 0.077 0.000 1.432 405 I CB 0.483 38.523 38.000 0.067 0.000 1.359 405 I HN 0.217 nan 8.210 nan 0.000 0.571 406 L N 9.596 130.848 121.223 0.047 0.000 2.397 406 L HA 0.193 4.538 4.340 0.008 0.000 0.271 406 L C -1.443 175.444 176.870 0.029 0.000 1.148 406 L CA -1.410 53.452 54.840 0.036 0.000 0.825 406 L CB 0.603 42.680 42.059 0.029 0.000 1.117 406 L HN 0.513 nan 8.230 nan 0.000 0.456 407 P HA -0.264 nan 4.420 nan 0.000 0.216 407 P C 1.271 178.581 177.300 0.016 0.000 1.157 407 P CA 1.193 64.305 63.100 0.020 0.000 0.880 407 P CB 0.136 31.847 31.700 0.018 0.000 0.791 408 Q N -0.626 119.183 119.800 0.014 0.000 2.226 408 Q HA -0.228 4.117 4.340 0.008 0.000 0.204 408 Q C 2.124 178.129 176.000 0.008 0.000 0.975 408 Q CA 1.400 57.209 55.803 0.011 0.000 0.866 408 Q CB -0.285 28.459 28.738 0.010 0.000 0.915 408 Q HN 0.327 nan 8.270 nan 0.000 0.440 409 Q N -0.362 119.445 119.800 0.011 0.000 2.033 409 Q HA -0.113 4.232 4.340 0.008 0.000 0.196 409 Q C 2.047 178.047 176.000 0.000 0.000 0.970 409 Q CA 0.949 56.756 55.803 0.007 0.000 0.828 409 Q CB -0.107 28.640 28.738 0.016 0.000 0.895 409 Q HN 0.320 nan 8.270 nan 0.000 0.440 410 L N 1.553 122.780 121.223 0.008 0.000 2.051 410 L HA -0.286 4.059 4.340 0.008 0.000 0.214 410 L C 2.247 179.116 176.870 -0.002 0.000 1.076 410 L CA 1.902 56.744 54.840 0.003 0.000 0.758 410 L CB -0.866 41.202 42.059 0.015 0.000 0.890 410 L HN 0.304 nan 8.230 nan 0.000 0.433 411 Q N -1.011 118.791 119.800 0.004 0.000 2.096 411 Q HA -0.228 4.117 4.340 0.008 0.000 0.204 411 Q C 2.255 178.257 176.000 0.004 0.000 0.982 411 Q CA 1.796 57.603 55.803 0.008 0.000 0.850 411 Q CB 0.032 28.776 28.738 0.011 0.000 0.901 411 Q HN 0.550 nan 8.270 nan 0.000 0.422 412 R N -0.199 120.298 120.500 -0.006 0.000 2.066 412 R HA -0.128 4.217 4.340 0.008 0.000 0.232 412 R C 2.342 178.624 176.300 -0.029 0.000 1.131 412 R CA 0.727 56.819 56.100 -0.014 0.000 0.955 412 R CB -0.575 29.711 30.300 -0.023 0.000 0.851 412 R HN 0.224 nan 8.270 nan 0.000 0.432 413 L N 0.948 122.139 121.223 -0.053 0.000 1.963 413 L HA -0.232 4.113 4.340 0.008 0.000 0.220 413 L C 2.595 179.426 176.870 -0.064 0.000 1.076 413 L CA 2.178 56.958 54.840 -0.100 0.000 0.772 413 L CB -1.651 40.347 42.059 -0.101 0.000 0.892 413 L HN 0.238 nan 8.230 nan 0.000 0.435 414 T N -1.119 113.421 114.554 -0.024 0.000 2.833 414 T HA -0.129 4.226 4.350 0.008 0.000 0.269 414 T C 1.776 176.501 174.700 0.043 0.000 1.054 414 T CA 1.318 63.423 62.100 0.009 0.000 1.135 414 T CB -0.042 68.835 68.868 0.014 0.000 0.869 414 T HN 0.409 nan 8.240 nan 0.000 0.466 415 A N 0.518 123.364 122.820 0.042 0.000 1.929 415 A HA 0.409 4.733 4.320 0.008 0.000 0.216 415 A C 2.659 180.317 177.584 0.123 0.000 1.176 415 A CA 1.562 53.642 52.037 0.072 0.000 0.628 415 A CB -1.035 17.997 19.000 0.053 0.000 0.816 415 A HN 0.602 nan 8.150 nan 0.000 0.444 416 A N -0.428 122.461 122.820 0.115 0.000 1.930 416 A HA 0.045 4.370 4.320 0.008 0.000 0.217 416 A C 2.195 180.031 177.584 0.420 0.000 1.175 416 A CA 1.652 53.832 52.037 0.239 0.000 0.627 416 A CB -0.813 18.298 19.000 0.185 0.000 0.815 416 A HN 0.328 nan 8.150 nan 0.000 0.443 417 V N 1.043 121.114 119.914 0.262 0.000 2.261 417 V HA -0.276 3.849 4.120 0.008 0.000 0.246 417 V C 2.373 178.617 176.094 0.251 0.000 1.047 417 V CA 2.143 64.603 62.300 0.267 0.000 1.015 417 V CB -0.914 30.977 31.823 0.114 0.000 0.642 417 V HN 0.570 nan 8.190 nan 0.000 0.446 418 N N 0.122 118.931 118.700 0.182 0.000 2.058 418 N HA -0.186 4.559 4.740 0.008 0.000 0.191 418 N C 2.032 177.648 175.510 0.176 0.000 1.037 418 N CA 1.606 54.747 53.050 0.152 0.000 0.848 418 N CB -0.365 38.187 38.487 0.108 0.000 1.021 418 N HN 0.374 nan 8.380 nan 0.000 0.422 419 R N 0.735 121.359 120.500 0.208 0.000 2.134 419 R HA -0.160 4.185 4.340 0.008 0.000 0.248 419 R C 2.131 178.560 176.300 0.214 0.000 1.143 419 R CA 2.013 58.252 56.100 0.231 0.000 0.957 419 R CB -0.331 30.185 30.300 0.361 0.000 0.867 419 R HN 0.258 nan 8.270 nan 0.000 0.441 420 A N -0.118 122.884 122.820 0.303 0.000 2.014 420 A HA -0.044 4.281 4.320 0.008 0.000 0.218 420 A C 1.769 179.562 177.584 0.348 0.000 1.163 420 A CA 1.227 53.405 52.037 0.235 0.000 0.652 420 A CB -0.001 19.118 19.000 0.199 0.000 0.808 420 A HN 0.290 nan 8.150 nan 0.000 0.449 421 V N -1.909 118.192 119.914 0.312 0.000 3.249 421 V HA 0.202 4.327 4.120 0.008 0.000 0.338 421 V C 0.744 176.901 176.094 0.105 0.000 1.363 421 V CA 0.678 63.155 62.300 0.296 0.000 1.205 421 V CB -0.737 31.227 31.823 0.235 0.000 1.164 421 V HN 0.605 nan 8.190 nan 0.000 0.458 422 Q N -0.742 119.111 119.800 0.090 0.000 2.246 422 Q HA 0.453 4.798 4.340 0.008 0.000 0.222 422 Q C -0.238 175.741 176.000 -0.034 0.000 0.851 422 Q CA 0.025 55.835 55.803 0.012 0.000 0.945 422 Q CB 0.515 29.268 28.738 0.024 0.000 1.122 422 Q HN 0.600 nan 8.270 nan 0.000 0.508 423 D N 0.863 121.246 120.400 -0.028 0.000 2.433 423 D HA 0.067 4.712 4.640 0.008 0.000 0.236 423 D C -0.030 176.225 176.300 -0.075 0.000 1.026 423 D CA -0.615 53.328 54.000 -0.095 0.000 0.884 423 D CB 1.358 42.054 40.800 -0.174 0.000 1.384 423 D HN 0.241 nan 8.370 nan 0.000 0.477 424 E N -0.094 120.031 120.200 -0.124 0.000 2.502 424 E HA -0.055 4.300 4.350 0.008 0.000 0.194 424 E C 0.486 177.074 176.600 -0.020 0.000 1.062 424 E CA 0.384 56.730 56.400 -0.089 0.000 0.867 424 E CB -0.089 29.512 29.700 -0.164 0.000 0.888 424 E HN 0.301 nan 8.360 nan 0.000 0.510 425 T N 1.092 115.517 114.554 -0.214 0.000 2.665 425 T HA -0.182 4.173 4.350 0.008 0.000 0.268 425 T C 0.880 175.306 174.700 -0.456 0.000 1.035 425 T CA 1.441 63.252 62.100 -0.482 0.000 1.151 425 T CB -0.350 67.907 68.868 -1.017 0.000 0.862 425 T HN 0.323 nan 8.240 nan 0.000 0.438 426 F N 0.217 120.115 119.950 -0.086 0.000 2.660 426 F HA 0.423 4.955 4.527 0.008 0.000 0.297 426 F C -0.092 175.361 175.800 -0.578 0.000 1.132 426 F CA -0.945 56.837 58.000 -0.363 0.000 1.372 426 F CB -0.116 38.557 39.000 -0.545 0.000 1.003 426 F HN 0.024 nan 8.300 nan 0.000 0.524 427 F N -0.494 119.456 119.950 -0.001 0.000 2.598 427 F HA 0.617 5.149 4.527 0.008 0.000 0.327 427 F C -0.012 175.769 175.800 -0.032 0.000 1.057 427 F CA -1.828 56.169 58.000 -0.006 0.000 0.957 427 F CB 1.303 40.274 39.000 -0.048 0.000 1.278 427 F HN -0.226 nan 8.300 nan 0.000 0.484 428 C N 1.794 121.205 119.300 0.185 0.000 2.535 428 C HA 0.946 5.411 4.460 0.008 0.000 0.319 428 C C -0.791 174.305 174.990 0.176 0.000 1.171 428 C CA -0.731 58.356 59.018 0.115 0.000 1.394 428 C CB 0.319 28.102 27.740 0.071 0.000 1.990 428 C HN 0.990 nan 8.230 nan 0.000 0.466 429 Q N 0.000 119.883 119.800 0.138 0.000 2.315 429 Q HA 0.000 4.345 4.340 0.008 0.000 0.214 429 Q CA 0.000 55.886 55.803 0.138 0.000 1.022 429 Q CB 0.000 28.830 28.738 0.153 0.000 1.108 429 Q HN 0.000 nan 8.270 nan 0.000 0.481