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 3g79_1_A DATA FIRST_RESID 4 DATA SEQUENCE SMSKLEKLLK ERGPIKKIGV LGMGYVGIPA AVLFADAPCF EKVLGFQRNS DATA SEQUENCE KSSGYKIEML NRGESPLKGE EPGLEELIGK VVKAGKFECT PDFSRISELD DATA SEQUENCE AVTLAIQTPF ANPKDLEPDF SALIDGIRNV GKYLKPGMLV VLESTITPGT DATA SEQUENCE TEGMAKQILE EESGLKAGED FALAHAPERV MVGRLLKNIR EHDRIVGGID DATA SEQUENCE EASTKRAVEL YSPVLTVGQV IPMSATAAEV TKTAENTFRD LQIAAINQLA DATA SEQUENCE LYCEAMGINV YDVRTGVDSL KGEGITRAVL WPGAGVGGHC LTKDTYHLER DATA SEQUENCE GVKIGRGELD YPEGADSIYV LARKVNDFMP AHMYNLTVAA LERLGKKMDG DATA SEQUENCE SKVAMLGWAF IKDSDDARNT PSEPYRDLCL KAGASVMVHD PYVVNYPGVE DATA SEQUENCE ISDNLEEVVR NADAIVVLAG HSAYSSLKAD WAKKVSAKAN PVIIDGRNVI DATA SEQUENCE EPDEFIGKGF VYKGIGREGH HHHHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.599 174.600 -0.002 0.000 1.055 4 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 4 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 5 M N 2.804 122.403 119.600 -0.002 0.000 2.245 5 M HA 0.219 4.699 4.480 -0.000 0.000 0.344 5 M C 0.865 177.162 176.300 -0.005 0.000 1.170 5 M CA 0.203 55.502 55.300 -0.002 0.000 1.135 5 M CB 0.668 33.268 32.600 -0.001 0.000 1.574 5 M HN 0.374 nan 8.290 nan 0.000 0.452 6 S N 2.635 118.331 115.700 -0.007 0.000 2.600 6 S HA 0.134 4.604 4.470 -0.000 0.000 0.265 6 S C 0.985 175.578 174.600 -0.011 0.000 1.325 6 S CA -0.525 57.669 58.200 -0.011 0.000 1.002 6 S CB 1.078 64.268 63.200 -0.016 0.000 0.921 6 S HN 0.860 nan 8.310 nan 0.000 0.554 7 K N -0.048 120.343 120.400 -0.014 0.000 2.015 7 K HA -0.189 4.131 4.320 -0.000 0.000 0.216 7 K C 2.022 178.615 176.600 -0.011 0.000 1.052 7 K CA 1.865 58.145 56.287 -0.012 0.000 0.937 7 K CB -0.541 31.949 32.500 -0.017 0.000 0.719 7 K HN 0.613 nan 8.250 nan 0.000 0.446 8 L N 1.965 123.176 121.223 -0.021 0.000 2.012 8 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 8 L C 1.852 178.719 176.870 -0.005 0.000 1.073 8 L CA 1.911 56.740 54.840 -0.019 0.000 0.748 8 L CB -0.592 41.443 42.059 -0.040 0.000 0.891 8 L HN 0.271 nan 8.230 nan 0.000 0.431 9 E N -0.444 119.753 120.200 -0.006 0.000 2.114 9 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 9 E C 2.131 178.734 176.600 0.004 0.000 1.008 9 E CA 1.966 58.366 56.400 0.000 0.000 0.810 9 E CB -0.154 29.545 29.700 -0.001 0.000 0.739 9 E HN 0.537 nan 8.360 nan 0.000 0.456 10 K N 0.434 120.836 120.400 0.002 0.000 2.001 10 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 10 K C 2.251 178.856 176.600 0.008 0.000 1.048 10 K CA 0.966 57.256 56.287 0.004 0.000 0.932 10 K CB -0.189 32.312 32.500 0.003 0.000 0.715 10 K HN 0.061 nan 8.250 nan 0.000 0.437 11 L N 0.726 121.955 121.223 0.010 0.000 2.043 11 L HA -0.247 4.092 4.340 -0.000 0.000 0.212 11 L C 2.271 179.151 176.870 0.017 0.000 1.075 11 L CA 0.796 55.645 54.840 0.016 0.000 0.752 11 L CB -0.406 41.666 42.059 0.022 0.000 0.891 11 L HN 0.152 nan 8.230 nan 0.000 0.432 12 L N -0.458 120.775 121.223 0.017 0.000 2.017 12 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 12 L C 2.569 179.448 176.870 0.015 0.000 1.073 12 L CA 1.707 56.558 54.840 0.018 0.000 0.745 12 L CB -1.026 41.044 42.059 0.018 0.000 0.894 12 L HN 0.147 nan 8.230 nan 0.000 0.432 13 K N -0.199 120.208 120.400 0.012 0.000 2.097 13 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 13 K C 1.955 178.561 176.600 0.010 0.000 1.050 13 K CA 1.143 57.437 56.287 0.011 0.000 0.938 13 K CB -0.182 32.323 32.500 0.009 0.000 0.718 13 K HN 0.535 nan 8.250 nan 0.000 0.442 14 E N 0.746 120.952 120.200 0.010 0.000 2.150 14 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 14 E C 2.013 178.619 176.600 0.011 0.000 0.985 14 E CA 0.933 57.339 56.400 0.010 0.000 0.814 14 E CB 0.025 29.731 29.700 0.010 0.000 0.752 14 E HN 0.093 nan 8.360 nan 0.000 0.466 15 R N 0.171 120.679 120.500 0.013 0.000 2.153 15 R HA 0.058 4.398 4.340 -0.000 0.000 0.218 15 R C 0.787 177.094 176.300 0.013 0.000 1.072 15 R CA 1.022 57.130 56.100 0.013 0.000 0.990 15 R CB -0.102 30.207 30.300 0.014 0.000 0.889 15 R HN 0.313 nan 8.270 nan 0.000 0.452 16 G N -0.117 108.692 108.800 0.014 0.000 2.725 16 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.220 16 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.220 16 G C -2.397 172.516 174.900 0.021 0.000 1.357 16 G CA -0.504 44.605 45.100 0.015 0.000 0.866 16 G HN 0.235 nan 8.290 nan 0.000 0.548 17 P HA 0.336 nan 4.420 nan 0.000 0.267 17 P C 0.521 177.856 177.300 0.059 0.000 1.200 17 P CA -0.076 63.049 63.100 0.040 0.000 0.772 17 P CB 0.353 32.072 31.700 0.031 0.000 0.855 18 I N 2.976 123.600 120.570 0.090 0.000 2.668 18 I HA -0.083 4.087 4.170 -0.000 0.000 0.285 18 I C 1.690 177.911 176.117 0.174 0.000 1.168 18 I CA 0.789 62.139 61.300 0.084 0.000 1.424 18 I CB 0.220 38.261 38.000 0.068 0.000 1.377 18 I HN 0.311 nan 8.210 nan 0.000 0.560 19 K N 4.922 125.370 120.400 0.080 0.000 2.550 19 K HA 0.271 4.591 4.320 -0.000 0.000 0.205 19 K C -0.086 176.535 176.600 0.034 0.000 1.429 19 K CA 0.361 56.719 56.287 0.117 0.000 0.997 19 K CB 0.718 33.258 32.500 0.066 0.000 1.328 19 K HN 0.448 nan 8.250 nan 0.000 0.546 20 K N 1.354 121.725 120.400 -0.049 0.000 2.376 20 K HA 0.511 4.831 4.320 -0.000 0.000 0.257 20 K C -0.534 175.966 176.600 -0.167 0.000 0.939 20 K CA -0.393 55.845 56.287 -0.081 0.000 0.809 20 K CB 2.280 34.754 32.500 -0.043 0.000 1.121 20 K HN -0.078 nan 8.250 nan 0.000 0.425 21 I N 0.695 121.135 120.570 -0.217 0.000 2.646 21 I HA 0.465 4.635 4.170 -0.000 0.000 0.299 21 I C 0.132 176.174 176.117 -0.125 0.000 1.036 21 I CA -0.952 60.157 61.300 -0.318 0.000 1.074 21 I CB 2.416 40.009 38.000 -0.677 0.000 1.258 21 I HN 0.643 nan 8.210 nan 0.000 0.430 22 G N 3.538 112.306 108.800 -0.052 0.000 2.542 22 G HA2 0.663 4.623 3.960 -0.000 0.000 0.311 22 G HA3 0.663 4.623 3.960 -0.000 0.000 0.311 22 G C -1.514 173.490 174.900 0.173 0.000 1.298 22 G CA -0.397 44.806 45.100 0.172 0.000 0.973 22 G HN 0.306 nan 8.290 nan 0.000 0.487 23 V N 2.126 122.193 119.914 0.255 0.000 2.540 23 V HA 0.479 4.599 4.120 -0.000 0.000 0.302 23 V C -0.553 175.718 176.094 0.295 0.000 1.035 23 V CA -0.709 61.739 62.300 0.246 0.000 0.873 23 V CB 1.542 33.504 31.823 0.231 0.000 0.992 23 V HN 0.592 nan 8.190 nan 0.000 0.428 24 L N 3.764 125.128 121.223 0.234 0.000 2.282 24 L HA 0.863 5.203 4.340 -0.000 0.000 0.288 24 L C 0.581 177.544 176.870 0.155 0.000 1.033 24 L CA 0.462 55.438 54.840 0.227 0.000 0.807 24 L CB 1.552 43.729 42.059 0.197 0.000 1.209 24 L HN 0.964 nan 8.230 nan 0.000 0.423 25 G N 4.051 112.933 108.800 0.137 0.000 2.740 25 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.267 25 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.267 25 G C -0.278 174.648 174.900 0.043 0.000 0.971 25 G CA -0.939 44.207 45.100 0.076 0.000 1.288 25 G HN 0.256 nan 8.290 nan 0.000 0.615 26 M N 2.003 121.627 119.600 0.039 0.000 3.706 26 M HA 0.307 4.787 4.480 -0.000 0.000 0.204 26 M C 1.181 177.481 176.300 -0.000 0.000 1.455 26 M CA 0.257 55.567 55.300 0.017 0.000 1.659 26 M CB -0.716 31.885 32.600 0.003 0.000 1.076 26 M HN 0.662 nan 8.290 nan 0.000 0.577 27 G N -0.162 108.628 108.800 -0.018 0.000 3.107 27 G HA2 0.385 4.345 3.960 -0.000 0.000 0.232 27 G HA3 0.385 4.345 3.960 -0.000 0.000 0.232 27 G C 0.445 175.338 174.900 -0.012 0.000 1.339 27 G CA -0.520 44.568 45.100 -0.020 0.000 1.033 27 G HN 0.536 nan 8.290 nan 0.000 0.567 28 Y N -0.758 119.549 120.300 0.010 0.000 2.256 28 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 28 Y C 2.213 178.107 175.900 -0.010 0.000 1.155 28 Y CA 2.057 60.158 58.100 0.002 0.000 1.203 28 Y CB -0.969 37.496 38.460 0.008 0.000 0.980 28 Y HN 0.183 nan 8.280 nan 0.000 0.530 29 V N -1.895 117.858 119.914 -0.269 0.000 2.949 29 V HA 0.352 4.472 4.120 -0.000 0.000 0.245 29 V C 2.227 178.256 176.094 -0.108 0.000 1.086 29 V CA 0.904 63.103 62.300 -0.167 0.000 1.097 29 V CB -0.870 30.810 31.823 -0.237 0.000 0.762 29 V HN 0.417 nan 8.190 nan 0.000 0.470 30 G N 0.622 109.363 108.800 -0.099 0.000 2.464 30 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.217 30 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.217 30 G C 1.497 176.373 174.900 -0.041 0.000 1.138 30 G CA 0.977 46.055 45.100 -0.037 0.000 0.793 30 G HN 0.496 nan 8.290 nan 0.000 0.539 31 I N 1.285 121.822 120.570 -0.056 0.000 2.163 31 I HA -0.075 4.095 4.170 -0.000 0.000 0.240 31 I C -0.220 175.798 176.117 -0.164 0.000 1.081 31 I CA 0.952 62.195 61.300 -0.094 0.000 1.353 31 I CB -1.207 36.755 38.000 -0.063 0.000 1.054 31 I HN 0.101 nan 8.210 nan 0.000 0.407 32 P HA -0.153 nan 4.420 nan 0.000 0.214 32 P C 1.655 178.829 177.300 -0.210 0.000 1.163 32 P CA 1.949 64.958 63.100 -0.151 0.000 0.883 32 P CB -0.045 31.594 31.700 -0.101 0.000 0.788 33 A N 0.366 123.060 122.820 -0.210 0.000 1.869 33 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 33 A C 2.397 179.741 177.584 -0.400 0.000 1.203 33 A CA 2.933 54.764 52.037 -0.344 0.000 0.638 33 A CB -1.807 17.070 19.000 -0.204 0.000 0.831 33 A HN 0.210 nan 8.150 nan 0.000 0.450 34 A N -1.445 121.288 122.820 -0.145 0.000 1.978 34 A HA 0.034 4.354 4.320 -0.000 0.000 0.220 34 A C 2.185 179.692 177.584 -0.129 0.000 1.170 34 A CA 1.898 53.951 52.037 0.027 0.000 0.636 34 A CB -0.664 18.372 19.000 0.059 0.000 0.810 34 A HN 0.497 nan 8.150 nan 0.000 0.448 35 V N -0.654 119.069 119.914 -0.317 0.000 3.052 35 V HA -0.047 4.073 4.120 -0.000 0.000 0.254 35 V C 2.250 178.231 176.094 -0.188 0.000 1.100 35 V CA 0.837 62.905 62.300 -0.387 0.000 1.112 35 V CB -0.094 31.429 31.823 -0.501 0.000 0.738 35 V HN 0.435 nan 8.190 nan 0.000 0.469 36 L N -0.925 120.180 121.223 -0.196 0.000 2.044 36 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 36 L C 2.231 179.099 176.870 -0.003 0.000 1.075 36 L CA 1.940 56.695 54.840 -0.142 0.000 0.747 36 L CB -1.295 40.626 42.059 -0.231 0.000 0.903 36 L HN 0.242 nan 8.230 nan 0.000 0.435 37 F N 0.169 120.132 119.950 0.022 0.000 2.091 37 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 37 F C 2.530 178.422 175.800 0.152 0.000 1.103 37 F CA 1.198 59.246 58.000 0.081 0.000 1.228 37 F CB -1.373 37.561 39.000 -0.111 0.000 0.984 37 F HN 0.113 nan 8.300 nan 0.000 0.477 38 A N -0.834 122.140 122.820 0.257 0.000 2.015 38 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 38 A C 1.830 179.504 177.584 0.150 0.000 1.163 38 A CA 1.791 53.948 52.037 0.199 0.000 0.646 38 A CB -0.845 18.258 19.000 0.171 0.000 0.806 38 A HN 0.349 nan 8.150 nan 0.000 0.448 39 D N -0.209 120.252 120.400 0.103 0.000 2.317 39 D HA 0.179 4.819 4.640 -0.000 0.000 0.211 39 D C 0.852 177.198 176.300 0.076 0.000 0.966 39 D CA 0.727 54.765 54.000 0.063 0.000 0.876 39 D CB -0.160 40.650 40.800 0.017 0.000 0.927 39 D HN 0.355 nan 8.370 nan 0.000 0.519 40 A N 1.234 124.137 122.820 0.138 0.000 2.444 40 A HA 0.373 4.693 4.320 -0.000 0.000 0.273 40 A C -2.292 175.294 177.584 0.002 0.000 1.136 40 A CA -1.022 51.057 52.037 0.070 0.000 0.799 40 A CB 0.048 19.121 19.000 0.122 0.000 1.081 40 A HN 0.120 nan 8.150 nan 0.000 0.509 41 P HA 0.281 nan 4.420 nan 0.000 0.272 41 P C 0.821 178.033 177.300 -0.148 0.000 1.230 41 P CA 0.551 63.620 63.100 -0.052 0.000 0.788 41 P CB 0.571 32.243 31.700 -0.045 0.000 0.949 42 C N -0.330 118.886 119.300 -0.140 0.000 5.923 42 C HA -0.168 4.292 4.460 -0.000 0.000 0.312 42 C C -0.039 174.799 174.990 -0.254 0.000 2.285 42 C CA 0.175 59.040 59.018 -0.255 0.000 2.053 42 C CB -2.691 24.814 27.740 -0.392 0.000 3.103 42 C HN 0.383 nan 8.230 nan 0.000 0.362 43 F N 2.605 122.558 119.950 0.004 0.000 2.399 43 F HA 0.642 5.169 4.527 -0.000 0.000 0.328 43 F C 1.399 177.199 175.800 0.001 0.000 1.084 43 F CA 0.166 58.162 58.000 -0.008 0.000 1.053 43 F CB 0.668 39.665 39.000 -0.005 0.000 1.209 43 F HN 0.311 nan 8.300 nan 0.000 0.502 44 E N 0.390 120.708 120.200 0.197 0.000 2.206 44 E HA 0.083 4.433 4.350 -0.000 0.000 0.195 44 E C -0.093 176.557 176.600 0.083 0.000 0.935 44 E CA 0.332 56.792 56.400 0.101 0.000 0.875 44 E CB 0.686 30.422 29.700 0.061 0.000 0.841 44 E HN 0.413 nan 8.360 nan 0.000 0.477 45 K N 0.570 121.012 120.400 0.070 0.000 2.575 45 K HA 0.276 4.595 4.320 -0.000 0.000 0.255 45 K C -1.955 174.655 176.600 0.017 0.000 0.953 45 K CA -0.321 55.989 56.287 0.040 0.000 0.840 45 K CB 1.940 34.440 32.500 -0.001 0.000 1.303 45 K HN -0.152 nan 8.250 nan 0.000 0.438 46 V N 5.124 125.073 119.914 0.059 0.000 2.513 46 V HA 0.514 4.633 4.120 -0.000 0.000 0.299 46 V C -0.400 175.680 176.094 -0.024 0.000 1.035 46 V CA -0.872 61.469 62.300 0.068 0.000 0.889 46 V CB 1.555 33.513 31.823 0.225 0.000 0.988 46 V HN 0.656 nan 8.190 nan 0.000 0.440 47 L N 3.557 124.706 121.223 -0.123 0.000 2.307 47 L HA 0.767 5.107 4.340 -0.000 0.000 0.284 47 L C 0.618 177.230 176.870 -0.430 0.000 1.023 47 L CA -0.355 54.224 54.840 -0.436 0.000 0.810 47 L CB 1.761 43.487 42.059 -0.555 0.000 1.231 47 L HN 0.778 nan 8.230 nan 0.000 0.423 48 G N 2.008 110.471 108.800 -0.562 0.000 2.372 48 G HA2 0.624 4.584 3.960 -0.000 0.000 0.323 48 G HA3 0.624 4.584 3.960 -0.000 0.000 0.323 48 G C -1.235 173.269 174.900 -0.660 0.000 1.152 48 G CA -0.274 44.641 45.100 -0.308 0.000 0.906 48 G HN 0.273 nan 8.290 nan 0.000 0.460 49 F N 1.358 121.189 119.950 -0.199 0.000 2.388 49 F HA 0.464 4.990 4.527 -0.000 0.000 0.358 49 F C 0.442 176.084 175.800 -0.264 0.000 1.122 49 F CA -0.551 57.202 58.000 -0.413 0.000 1.056 49 F CB 2.177 40.792 39.000 -0.641 0.000 1.155 49 F HN 0.105 nan 8.300 nan 0.000 0.461 50 Q N 3.656 123.370 119.800 -0.143 0.000 2.285 50 Q HA 0.314 4.654 4.340 -0.000 0.000 0.269 50 Q C -0.335 175.719 176.000 0.090 0.000 1.030 50 Q CA -0.782 55.024 55.803 0.005 0.000 0.788 50 Q CB 2.827 31.533 28.738 -0.054 0.000 1.266 50 Q HN 0.683 nan 8.270 nan 0.000 0.438 51 R N 1.530 122.178 120.500 0.247 0.000 2.784 51 R HA 0.033 4.372 4.340 -0.000 0.000 0.266 51 R C 0.525 176.889 176.300 0.107 0.000 1.044 51 R CA 0.120 56.355 56.100 0.225 0.000 1.151 51 R CB 0.455 30.875 30.300 0.201 0.000 1.037 51 R HN 0.652 nan 8.270 nan 0.000 0.478 52 N N 1.403 120.158 118.700 0.090 0.000 3.103 52 N HA -0.038 4.702 4.740 -0.000 0.000 0.305 52 N C -1.057 174.498 175.510 0.076 0.000 1.232 52 N CA -0.185 52.907 53.050 0.070 0.000 1.190 52 N CB 0.244 38.767 38.487 0.059 0.000 1.461 52 N HN 0.320 nan 8.380 nan 0.000 0.538 53 S N 2.211 117.960 115.700 0.082 0.000 2.519 53 S HA -0.046 4.424 4.470 -0.000 0.000 0.320 53 S C 0.291 174.944 174.600 0.088 0.000 1.179 53 S CA -0.104 58.144 58.200 0.078 0.000 1.173 53 S CB 0.213 63.461 63.200 0.080 0.000 1.224 53 S HN 0.505 nan 8.310 nan 0.000 0.542 54 K N 2.919 123.365 120.400 0.076 0.000 2.476 54 K HA -0.099 4.221 4.320 -0.000 0.000 0.273 54 K C 0.982 177.636 176.600 0.089 0.000 1.056 54 K CA 1.106 57.440 56.287 0.078 0.000 1.150 54 K CB -0.124 32.410 32.500 0.056 0.000 0.838 54 K HN 0.848 nan 8.250 nan 0.000 0.486 55 S N 0.813 116.584 115.700 0.118 0.000 1.291 55 S HA -0.155 4.315 4.470 -0.000 0.000 0.252 55 S C 0.651 175.410 174.600 0.265 0.000 0.669 55 S CA 0.462 58.744 58.200 0.136 0.000 1.038 55 S CB -1.450 61.810 63.200 0.101 0.000 1.076 55 S HN 0.561 nan 8.310 nan 0.000 0.489 56 S N 0.984 116.831 115.700 0.246 0.000 2.649 56 S HA 0.496 4.966 4.470 -0.000 0.000 0.246 56 S C 1.908 176.539 174.600 0.051 0.000 1.057 56 S CA 0.488 58.806 58.200 0.196 0.000 1.051 56 S CB 0.443 63.692 63.200 0.081 0.000 1.018 56 S HN 1.121 nan 8.310 nan 0.000 0.569 57 G N 2.559 111.436 108.800 0.128 0.000 2.547 57 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.221 57 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.221 57 G C 1.291 176.214 174.900 0.039 0.000 1.140 57 G CA 1.753 46.898 45.100 0.074 0.000 0.760 57 G HN 0.724 nan 8.290 nan 0.000 0.583 58 Y N 1.297 121.608 120.300 0.018 0.000 2.241 58 Y HA -0.127 4.422 4.550 -0.000 0.000 0.286 58 Y C 2.467 178.374 175.900 0.013 0.000 1.166 58 Y CA 1.566 59.674 58.100 0.014 0.000 1.203 58 Y CB -0.532 37.938 38.460 0.016 0.000 0.977 58 Y HN 0.170 nan 8.280 nan 0.000 0.529 59 K N 1.018 120.891 120.400 -0.878 0.000 2.152 59 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 59 K C 2.041 178.492 176.600 -0.249 0.000 1.048 59 K CA 1.967 57.870 56.287 -0.639 0.000 0.933 59 K CB -0.501 31.640 32.500 -0.600 0.000 0.721 59 K HN 0.492 nan 8.250 nan 0.000 0.447 60 I N 1.796 122.254 120.570 -0.187 0.000 2.091 60 I HA -0.320 3.850 4.170 -0.000 0.000 0.239 60 I C 3.033 179.094 176.117 -0.093 0.000 1.061 60 I CA 2.227 63.448 61.300 -0.132 0.000 1.317 60 I CB -0.933 37.002 38.000 -0.107 0.000 1.031 60 I HN 0.359 nan 8.210 nan 0.000 0.401 61 E N 0.833 121.002 120.200 -0.051 0.000 2.112 61 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 61 E C 2.037 178.640 176.600 0.004 0.000 0.979 61 E CA 1.055 57.445 56.400 -0.017 0.000 0.814 61 E CB -0.620 29.088 29.700 0.014 0.000 0.762 61 E HN 0.423 nan 8.360 nan 0.000 0.460 62 M N -0.264 119.350 119.600 0.022 0.000 2.115 62 M HA -0.100 4.380 4.480 -0.000 0.000 0.258 62 M C 2.688 179.006 176.300 0.030 0.000 1.071 62 M CA 1.777 57.107 55.300 0.050 0.000 1.100 62 M CB -0.420 32.236 32.600 0.094 0.000 1.292 62 M HN 0.332 nan 8.290 nan 0.000 0.415 63 L N 0.107 121.338 121.223 0.013 0.000 2.043 63 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 63 L C 1.861 178.777 176.870 0.077 0.000 1.075 63 L CA 1.111 55.995 54.840 0.074 0.000 0.752 63 L CB -0.774 41.355 42.059 0.117 0.000 0.891 63 L HN 0.384 nan 8.230 nan 0.000 0.432 64 N N -0.214 118.487 118.700 0.001 0.000 2.521 64 N HA -0.062 4.678 4.740 -0.000 0.000 0.188 64 N C 1.530 177.041 175.510 0.001 0.000 1.146 64 N CA 0.649 53.684 53.050 -0.025 0.000 0.893 64 N CB 0.057 38.494 38.487 -0.083 0.000 0.975 64 N HN 0.362 nan 8.380 nan 0.000 0.451 65 R N -1.004 119.507 120.500 0.018 0.000 2.265 65 R HA 0.201 4.541 4.340 -0.000 0.000 0.194 65 R C 0.551 176.870 176.300 0.033 0.000 0.931 65 R CA 0.512 56.625 56.100 0.022 0.000 1.032 65 R CB 0.672 30.985 30.300 0.022 0.000 0.980 65 R HN 0.080 nan 8.270 nan 0.000 0.497 66 G N 1.745 110.574 108.800 0.048 0.000 2.237 66 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.153 66 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.153 66 G C -0.586 174.336 174.900 0.037 0.000 1.039 66 G CA -0.558 44.572 45.100 0.051 0.000 0.719 66 G HN 0.301 nan 8.290 nan 0.000 0.491 67 E N -0.362 119.863 120.200 0.043 0.000 2.392 67 E HA 0.772 5.122 4.350 -0.000 0.000 0.269 67 E C 0.495 177.119 176.600 0.039 0.000 0.924 67 E CA -0.436 55.987 56.400 0.038 0.000 0.784 67 E CB 1.871 31.601 29.700 0.049 0.000 1.292 67 E HN 0.442 nan 8.360 nan 0.000 0.447 68 S N 0.206 115.930 115.700 0.040 0.000 2.816 68 S HA 0.647 5.117 4.470 -0.000 0.000 0.253 68 S C -2.080 172.569 174.600 0.081 0.000 1.055 68 S CA -0.629 57.595 58.200 0.040 0.000 1.032 68 S CB 0.613 63.825 63.200 0.019 0.000 1.270 68 S HN 0.487 nan 8.310 nan 0.000 0.587 69 P HA 0.530 nan 4.420 nan 0.000 0.316 69 P C -1.060 176.297 177.300 0.095 0.000 1.284 69 P CA -0.755 62.425 63.100 0.132 0.000 0.803 69 P CB 0.133 31.912 31.700 0.132 0.000 1.980 70 L N 0.553 121.829 121.223 0.088 0.000 2.281 70 L HA 0.332 4.672 4.340 -0.000 0.000 0.285 70 L C 0.880 177.769 176.870 0.032 0.000 1.074 70 L CA 0.308 55.181 54.840 0.055 0.000 0.817 70 L CB 0.218 42.309 42.059 0.053 0.000 1.168 70 L HN 0.455 nan 8.230 nan 0.000 0.434 71 K N 1.878 122.290 120.400 0.020 0.000 3.214 71 K HA -0.088 4.232 4.320 -0.000 0.000 0.235 71 K C 0.321 176.921 176.600 0.000 0.000 1.312 71 K CA 0.317 56.607 56.287 0.005 0.000 0.837 71 K CB -1.272 31.225 32.500 -0.006 0.000 1.884 71 K HN 1.016 nan 8.250 nan 0.000 0.559 72 G N 1.955 110.758 108.800 0.006 0.000 3.276 72 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.679 72 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.679 72 G C -0.787 174.110 174.900 -0.005 0.000 0.911 72 G CA 0.506 45.606 45.100 0.000 0.000 0.797 72 G HN 0.225 nan 8.290 nan 0.000 0.503 73 E N 2.151 122.348 120.200 -0.005 0.000 2.256 73 E HA 0.571 4.921 4.350 -0.000 0.000 0.268 73 E C 0.627 177.218 176.600 -0.016 0.000 0.877 73 E CA -0.698 55.696 56.400 -0.009 0.000 0.757 73 E CB 0.809 30.509 29.700 -0.001 0.000 1.183 73 E HN 0.526 nan 8.360 nan 0.000 0.418 74 E N 3.555 123.742 120.200 -0.021 0.000 2.122 74 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 74 E C -1.755 174.830 176.600 -0.024 0.000 1.352 74 E CA 0.491 56.875 56.400 -0.026 0.000 0.705 74 E CB -0.967 28.713 29.700 -0.034 0.000 1.084 74 E HN 0.443 nan 8.360 nan 0.000 0.337 75 P HA -0.134 nan 4.420 nan 0.000 0.155 75 P C 0.893 178.182 177.300 -0.019 0.000 1.105 75 P CA 1.328 64.418 63.100 -0.016 0.000 0.873 75 P CB -0.368 31.324 31.700 -0.013 0.000 1.585 76 G N -1.409 107.377 108.800 -0.024 0.000 2.945 76 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.225 76 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.225 76 G C 0.974 175.853 174.900 -0.035 0.000 1.046 76 G CA -0.074 45.009 45.100 -0.028 0.000 0.842 76 G HN 0.251 nan 8.290 nan 0.000 0.543 77 L N 1.579 122.781 121.223 -0.035 0.000 1.955 77 L HA 0.040 4.380 4.340 -0.000 0.000 0.213 77 L C 2.466 179.310 176.870 -0.044 0.000 1.072 77 L CA 2.756 57.569 54.840 -0.045 0.000 0.755 77 L CB -0.732 41.306 42.059 -0.035 0.000 0.888 77 L HN 0.336 nan 8.230 nan 0.000 0.432 78 E N -0.905 119.280 120.200 -0.025 0.000 2.160 78 E HA -0.268 4.081 4.350 -0.000 0.000 0.195 78 E C 1.889 178.478 176.600 -0.018 0.000 0.991 78 E CA 1.567 57.957 56.400 -0.016 0.000 0.810 78 E CB 0.041 29.740 29.700 -0.002 0.000 0.742 78 E HN 0.611 nan 8.360 nan 0.000 0.466 79 E N -0.118 120.070 120.200 -0.021 0.000 2.112 79 E HA -0.108 4.242 4.350 -0.000 0.000 0.190 79 E C 1.763 178.347 176.600 -0.026 0.000 0.979 79 E CA 0.521 56.911 56.400 -0.018 0.000 0.814 79 E CB -0.171 29.520 29.700 -0.016 0.000 0.762 79 E HN 0.181 nan 8.360 nan 0.000 0.460 80 L N 0.853 122.051 121.223 -0.041 0.000 1.994 80 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 80 L C 1.913 178.740 176.870 -0.072 0.000 1.071 80 L CA 1.630 56.435 54.840 -0.058 0.000 0.745 80 L CB -0.516 41.496 42.059 -0.079 0.000 0.892 80 L HN 0.147 nan 8.230 nan 0.000 0.431 81 I N -0.527 119.991 120.570 -0.088 0.000 2.151 81 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 81 I C 2.505 178.618 176.117 -0.007 0.000 1.080 81 I CA 1.513 62.762 61.300 -0.084 0.000 1.339 81 I CB -1.219 36.745 38.000 -0.060 0.000 1.039 81 I HN 0.420 nan 8.210 nan 0.000 0.409 82 G N 0.735 109.534 108.800 -0.003 0.000 2.440 82 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.218 82 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.218 82 G C 1.704 176.613 174.900 0.017 0.000 1.154 82 G CA 1.076 46.184 45.100 0.013 0.000 0.767 82 G HN 0.376 nan 8.290 nan 0.000 0.552 83 K N -0.123 120.280 120.400 0.005 0.000 2.007 83 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 83 K C 2.500 179.113 176.600 0.021 0.000 1.047 83 K CA 1.109 57.401 56.287 0.008 0.000 0.937 83 K CB -0.401 32.097 32.500 -0.003 0.000 0.718 83 K HN 0.116 nan 8.250 nan 0.000 0.438 84 V N 0.996 120.923 119.914 0.022 0.000 2.343 84 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 84 V C 2.310 178.467 176.094 0.105 0.000 1.051 84 V CA 1.505 63.837 62.300 0.053 0.000 1.036 84 V CB 0.084 31.912 31.823 0.009 0.000 0.654 84 V HN 0.223 nan 8.190 nan 0.000 0.451 85 V N 0.084 120.069 119.914 0.119 0.000 2.307 85 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 85 V C 2.406 178.535 176.094 0.058 0.000 1.045 85 V CA 2.404 64.777 62.300 0.121 0.000 1.024 85 V CB -0.716 31.183 31.823 0.126 0.000 0.651 85 V HN 0.601 nan 8.190 nan 0.000 0.449 86 K N 0.800 121.226 120.400 0.042 0.000 2.147 86 K HA -0.132 4.187 4.320 -0.000 0.000 0.205 86 K C 1.795 178.409 176.600 0.022 0.000 1.049 86 K CA 1.646 57.948 56.287 0.025 0.000 0.936 86 K CB -0.235 32.276 32.500 0.018 0.000 0.722 86 K HN 0.442 nan 8.250 nan 0.000 0.446 87 A N 0.477 123.315 122.820 0.030 0.000 2.259 87 A HA 0.208 4.527 4.320 -0.000 0.000 0.208 87 A C 1.145 178.746 177.584 0.029 0.000 1.201 87 A CA 0.631 52.684 52.037 0.027 0.000 0.824 87 A CB -0.501 18.517 19.000 0.031 0.000 0.838 87 A HN 0.542 nan 8.150 nan 0.000 0.485 88 G N 0.044 108.862 108.800 0.029 0.000 2.283 88 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.280 88 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.280 88 G C 0.671 175.589 174.900 0.030 0.000 1.029 88 G CA 0.963 46.073 45.100 0.018 0.000 0.840 88 G HN 0.596 nan 8.290 nan 0.000 0.505 89 K N -1.533 118.909 120.400 0.070 0.000 2.358 89 K HA 0.376 4.696 4.320 -0.000 0.000 0.197 89 K C 0.071 176.773 176.600 0.170 0.000 1.025 89 K CA -0.044 56.301 56.287 0.097 0.000 1.104 89 K CB 0.700 33.264 32.500 0.106 0.000 0.855 89 K HN 0.389 nan 8.250 nan 0.000 0.531 90 F N 1.117 121.048 119.950 -0.032 0.000 2.591 90 F HA 0.371 4.898 4.527 0.000 0.000 0.309 90 F C -1.749 174.001 175.800 -0.083 0.000 1.098 90 F CA -0.826 57.140 58.000 -0.056 0.000 0.937 90 F CB 1.911 40.887 39.000 -0.040 0.000 1.250 90 F HN -0.212 nan 8.300 nan 0.000 0.447 91 E N 4.786 124.300 120.200 -1.143 0.000 2.335 91 E HA 0.378 4.728 4.350 -0.000 0.000 0.280 91 E C -1.983 173.938 176.600 -1.131 0.000 0.918 91 E CA -0.700 55.158 56.400 -0.904 0.000 0.765 91 E CB 1.961 31.377 29.700 -0.473 0.000 1.218 91 E HN 0.852 nan 8.360 nan 0.000 0.425 92 C N 3.120 121.929 119.300 -0.818 0.000 2.319 92 C HA 0.774 5.234 4.460 -0.000 0.000 0.335 92 C C -0.166 174.550 174.990 -0.455 0.000 1.274 92 C CA 0.159 58.818 59.018 -0.598 0.000 1.806 92 C CB 0.493 28.021 27.740 -0.354 0.000 2.329 92 C HN 0.651 nan 8.230 nan 0.000 0.524 93 T N 6.340 120.586 114.554 -0.513 0.000 2.933 93 T HA 0.544 4.894 4.350 -0.000 0.000 0.305 93 T C -2.126 172.384 174.700 -0.317 0.000 1.092 93 T CA -1.034 60.837 62.100 -0.382 0.000 1.008 93 T CB 2.084 70.723 68.868 -0.383 0.000 1.102 93 T HN 0.603 nan 8.240 nan 0.000 0.469 94 P HA 0.156 nan 4.420 nan 0.000 0.249 94 P C -0.073 177.262 177.300 0.058 0.000 1.229 94 P CA 0.250 63.333 63.100 -0.027 0.000 0.788 94 P CB 0.174 31.888 31.700 0.023 0.000 1.072 95 D N -0.350 120.043 120.400 -0.012 0.000 2.500 95 D HA 0.131 4.771 4.640 -0.000 0.000 0.219 95 D C 0.719 177.062 176.300 0.073 0.000 1.137 95 D CA -0.835 53.194 54.000 0.049 0.000 0.946 95 D CB -0.513 40.277 40.800 -0.016 0.000 1.022 95 D HN -0.130 nan 8.370 nan 0.000 0.518 96 F N 1.153 121.094 119.950 -0.015 0.000 2.333 96 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 96 F C 2.709 178.063 175.800 -0.745 0.000 1.083 96 F CA 0.989 58.825 58.000 -0.272 0.000 1.395 96 F CB -0.153 38.775 39.000 -0.121 0.000 1.056 96 F HN 0.378 nan 8.300 nan 0.000 0.529 97 S N 0.761 115.976 115.700 -0.808 0.000 2.400 97 S HA -0.230 4.240 4.470 -0.000 0.000 0.232 97 S C 1.966 176.205 174.600 -0.601 0.000 1.025 97 S CA 0.921 58.309 58.200 -1.353 0.000 0.993 97 S CB -0.544 62.272 63.200 -0.641 0.000 0.808 97 S HN 0.423 nan 8.310 nan 0.000 0.478 98 R N 0.467 120.807 120.500 -0.266 0.000 2.328 98 R HA 0.186 4.526 4.340 -0.000 0.000 0.207 98 R C 1.902 178.185 176.300 -0.028 0.000 1.056 98 R CA 0.856 56.913 56.100 -0.072 0.000 1.016 98 R CB -0.654 29.680 30.300 0.056 0.000 0.872 98 R HN 0.517 nan 8.270 nan 0.000 0.471 99 I N 0.539 120.981 120.570 -0.213 0.000 2.248 99 I HA -0.332 3.838 4.170 -0.000 0.000 0.248 99 I C 2.113 178.185 176.117 -0.075 0.000 1.107 99 I CA 1.278 62.453 61.300 -0.209 0.000 1.373 99 I CB -0.270 37.562 38.000 -0.279 0.000 1.055 99 I HN 0.070 nan 8.210 nan 0.000 0.418 100 S N 0.243 115.907 115.700 -0.060 0.000 2.407 100 S HA -0.251 4.219 4.470 -0.000 0.000 0.235 100 S C 1.613 176.205 174.600 -0.014 0.000 1.036 100 S CA 1.542 59.737 58.200 -0.009 0.000 1.013 100 S CB -0.393 62.818 63.200 0.018 0.000 0.820 100 S HN 0.548 nan 8.310 nan 0.000 0.476 101 E N 0.210 120.398 120.200 -0.019 0.000 2.502 101 E HA 0.127 4.477 4.350 -0.000 0.000 0.194 101 E C -0.120 176.471 176.600 -0.014 0.000 1.062 101 E CA 0.100 56.492 56.400 -0.013 0.000 0.867 101 E CB 0.021 29.713 29.700 -0.014 0.000 0.888 101 E HN 0.449 nan 8.360 nan 0.000 0.510 102 L N 0.780 121.992 121.223 -0.018 0.000 2.360 102 L HA 0.220 4.560 4.340 -0.000 0.000 0.271 102 L C 0.914 177.759 176.870 -0.041 0.000 1.057 102 L CA -0.727 54.094 54.840 -0.032 0.000 0.803 102 L CB 0.999 43.039 42.059 -0.032 0.000 1.207 102 L HN -0.136 nan 8.230 nan 0.000 0.445 103 D N 0.846 121.210 120.400 -0.060 0.000 2.183 103 D HA 0.118 4.757 4.640 -0.000 0.000 0.205 103 D C 0.357 176.604 176.300 -0.088 0.000 0.962 103 D CA 0.903 54.866 54.000 -0.062 0.000 0.849 103 D CB 0.573 41.335 40.800 -0.063 0.000 0.978 103 D HN 0.564 nan 8.370 nan 0.000 0.488 104 A N 0.111 122.845 122.820 -0.144 0.000 2.549 104 A HA 0.576 4.895 4.320 -0.000 0.000 0.297 104 A C -1.195 176.296 177.584 -0.156 0.000 1.061 104 A CA -0.550 51.391 52.037 -0.160 0.000 0.690 104 A CB 1.969 20.820 19.000 -0.250 0.000 1.287 104 A HN -0.103 nan 8.150 nan 0.000 0.402 105 V N 0.667 120.520 119.914 -0.102 0.000 2.709 105 V HA 0.707 4.827 4.120 -0.000 0.000 0.308 105 V C -0.026 176.058 176.094 -0.018 0.000 1.062 105 V CA -0.442 61.822 62.300 -0.058 0.000 0.901 105 V CB 2.056 33.844 31.823 -0.058 0.000 1.003 105 V HN 0.931 nan 8.190 nan 0.000 0.425 106 T N 4.906 119.482 114.554 0.036 0.000 2.823 106 T HA 0.693 5.043 4.350 -0.000 0.000 0.279 106 T C -0.685 174.087 174.700 0.120 0.000 0.998 106 T CA -0.255 61.913 62.100 0.113 0.000 0.994 106 T CB 0.870 69.861 68.868 0.205 0.000 0.960 106 T HN 0.387 nan 8.240 nan 0.000 0.448 107 L N 3.489 124.779 121.223 0.111 0.000 2.264 107 L HA 0.614 4.954 4.340 -0.000 0.000 0.287 107 L C 0.530 177.456 176.870 0.094 0.000 1.039 107 L CA -0.362 54.534 54.840 0.093 0.000 0.829 107 L CB 1.143 43.240 42.059 0.063 0.000 1.211 107 L HN 0.739 nan 8.230 nan 0.000 0.427 108 A N 5.416 128.286 122.820 0.083 0.000 3.113 108 A HA 0.559 4.879 4.320 -0.000 0.000 0.307 108 A C -0.048 177.539 177.584 0.006 0.000 1.025 108 A CA -0.258 51.807 52.037 0.046 0.000 1.012 108 A CB -0.305 18.723 19.000 0.047 0.000 1.085 108 A HN 0.593 nan 8.150 nan 0.000 0.519 109 I N 0.778 121.361 120.570 0.022 0.000 2.331 109 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 109 I C 0.355 176.464 176.117 -0.013 0.000 0.998 109 I CA -0.487 60.821 61.300 0.013 0.000 1.267 109 I CB 1.566 39.595 38.000 0.047 0.000 1.386 109 I HN 0.463 nan 8.210 nan 0.000 0.476 110 Q N 3.160 122.921 119.800 -0.065 0.000 2.368 110 Q HA -0.095 4.245 4.340 -0.000 0.000 0.331 110 Q C 0.389 176.381 176.000 -0.014 0.000 1.086 110 Q CA 0.764 56.522 55.803 -0.076 0.000 1.031 110 Q CB 0.338 29.032 28.738 -0.073 0.000 1.125 110 Q HN 0.541 nan 8.270 nan 0.000 0.389 111 T N 4.121 118.686 114.554 0.019 0.000 3.278 111 T HA 0.225 4.575 4.350 -0.000 0.000 0.246 111 T C -1.693 172.987 174.700 -0.033 0.000 1.281 111 T CA -1.803 60.326 62.100 0.048 0.000 1.281 111 T CB 0.292 69.268 68.868 0.181 0.000 1.064 111 T HN 0.465 nan 8.240 nan 0.000 0.628 112 P HA -0.001 nan 4.420 nan 0.000 0.213 112 P C 0.776 178.102 177.300 0.043 0.000 1.170 112 P CA 0.592 63.663 63.100 -0.047 0.000 0.893 112 P CB 0.061 31.610 31.700 -0.252 0.000 0.784 113 F N 0.290 120.177 119.950 -0.104 0.000 2.331 113 F HA 0.426 4.953 4.527 -0.000 0.000 0.293 113 F C 1.637 177.319 175.800 -0.197 0.000 1.277 113 F CA -0.391 57.540 58.000 -0.116 0.000 1.204 113 F CB -0.884 38.074 39.000 -0.070 0.000 1.374 113 F HN 0.357 nan 8.300 nan 0.000 0.520 114 A N 0.819 123.644 122.820 0.008 0.000 6.272 114 A HA -0.253 4.067 4.320 -0.000 0.000 0.215 114 A C 1.193 178.591 177.584 -0.310 0.000 2.432 114 A CA 0.538 52.501 52.037 -0.124 0.000 0.689 114 A CB -1.691 17.249 19.000 -0.101 0.000 0.809 114 A HN 0.862 nan 8.150 nan 0.000 0.342 115 N N 0.064 118.201 118.700 -0.939 0.000 2.188 115 N HA -0.032 4.708 4.740 -0.000 0.000 0.184 115 N C -0.997 174.229 175.510 -0.473 0.000 1.018 115 N CA 1.317 53.613 53.050 -1.256 0.000 0.858 115 N CB -0.331 37.379 38.487 -1.295 0.000 0.989 115 N HN 0.472 nan 8.380 nan 0.000 0.426 116 P HA 0.087 nan 4.420 nan 0.000 0.247 116 P C -0.913 176.347 177.300 -0.067 0.000 1.225 116 P CA 0.482 63.494 63.100 -0.147 0.000 0.768 116 P CB 0.093 31.730 31.700 -0.105 0.000 1.020 117 K N -1.099 119.264 120.400 -0.062 0.000 7.045 117 K HA -0.101 4.219 4.320 -0.000 0.000 0.677 117 K C -0.307 176.309 176.600 0.026 0.000 2.569 117 K CA 0.888 57.203 56.287 0.047 0.000 1.902 117 K CB -1.835 30.769 32.500 0.174 0.000 2.333 117 K HN 0.415 nan 8.250 nan 0.000 0.297 118 D N -0.980 119.452 120.400 0.053 0.000 10.804 118 D HA -0.261 4.379 4.640 -0.000 0.000 0.364 118 D C 0.188 176.496 176.300 0.013 0.000 3.053 118 D CA 1.073 55.105 54.000 0.052 0.000 2.493 118 D CB -0.423 40.416 40.800 0.065 0.000 1.114 118 D HN 0.490 nan 8.370 nan 0.000 0.990 119 L N -0.868 120.370 121.223 0.024 0.000 2.307 119 L HA 0.186 4.526 4.340 -0.000 0.000 0.211 119 L C 0.822 177.783 176.870 0.152 0.000 1.099 119 L CA 0.728 55.603 54.840 0.058 0.000 0.816 119 L CB 0.020 42.083 42.059 0.007 0.000 0.952 119 L HN 0.427 nan 8.230 nan 0.000 0.455 120 E N -0.281 119.973 120.200 0.091 0.000 2.212 120 E HA 0.346 4.696 4.350 -0.000 0.000 0.270 120 E C -2.293 174.201 176.600 -0.177 0.000 0.956 120 E CA -2.243 54.177 56.400 0.033 0.000 0.825 120 E CB 1.027 30.754 29.700 0.046 0.000 1.167 120 E HN -0.063 nan 8.360 nan 0.000 0.400 121 P HA 0.043 nan 4.420 nan 0.000 0.272 121 P C -0.855 176.051 177.300 -0.657 0.000 1.240 121 P CA -0.254 62.493 63.100 -0.588 0.000 0.791 121 P CB 0.444 31.637 31.700 -0.845 0.000 0.978 122 D N 0.678 120.883 120.400 -0.326 0.000 2.393 122 D HA 0.108 4.748 4.640 -0.000 0.000 0.232 122 D C -0.220 175.990 176.300 -0.150 0.000 1.192 122 D CA -0.084 53.825 54.000 -0.152 0.000 0.882 122 D CB -0.458 40.404 40.800 0.102 0.000 1.038 122 D HN 0.089 nan 8.370 nan 0.000 0.499 123 F N 1.645 121.610 119.950 0.025 0.000 2.804 123 F HA 0.016 4.542 4.527 -0.000 0.000 0.303 123 F C 2.495 178.294 175.800 -0.002 0.000 1.154 123 F CA 0.088 58.090 58.000 0.002 0.000 1.401 123 F CB -0.619 38.378 39.000 -0.005 0.000 1.106 123 F HN 0.382 nan 8.300 nan 0.000 0.568 124 S N 0.616 116.406 115.700 0.150 0.000 2.348 124 S HA -0.234 4.236 4.470 -0.000 0.000 0.221 124 S C 2.424 177.062 174.600 0.063 0.000 1.033 124 S CA 1.076 59.332 58.200 0.094 0.000 1.010 124 S CB -0.854 62.387 63.200 0.067 0.000 0.891 124 S HN 0.238 nan 8.310 nan 0.000 0.442 125 A N 1.648 124.497 122.820 0.049 0.000 1.978 125 A HA 0.054 4.374 4.320 -0.000 0.000 0.220 125 A C 2.265 179.877 177.584 0.046 0.000 1.170 125 A CA 1.645 53.702 52.037 0.034 0.000 0.636 125 A CB -0.868 18.141 19.000 0.015 0.000 0.810 125 A HN 0.625 nan 8.150 nan 0.000 0.448 126 L N 0.370 121.642 121.223 0.081 0.000 2.027 126 L HA -0.074 4.266 4.340 -0.000 0.000 0.206 126 L C 2.277 179.161 176.870 0.023 0.000 1.074 126 L CA 2.267 57.148 54.840 0.068 0.000 0.745 126 L CB -0.568 41.559 42.059 0.114 0.000 0.898 126 L HN 0.547 nan 8.230 nan 0.000 0.433 127 I N -2.174 118.415 120.570 0.031 0.000 2.394 127 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 127 I C 1.760 177.863 176.117 -0.024 0.000 1.136 127 I CA 1.712 63.007 61.300 -0.009 0.000 1.425 127 I CB -0.664 37.339 38.000 0.005 0.000 1.079 127 I HN 0.153 nan 8.210 nan 0.000 0.425 128 D N 1.644 122.034 120.400 -0.017 0.000 2.123 128 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 128 D C 2.330 178.584 176.300 -0.077 0.000 0.992 128 D CA 1.816 55.783 54.000 -0.054 0.000 0.833 128 D CB -0.519 40.252 40.800 -0.047 0.000 0.954 128 D HN 0.554 nan 8.370 nan 0.000 0.455 129 G N 0.242 109.025 108.800 -0.029 0.000 2.418 129 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 129 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 129 G C 1.694 176.579 174.900 -0.024 0.000 1.158 129 G CA 0.433 45.533 45.100 0.001 0.000 0.771 129 G HN 0.265 nan 8.290 nan 0.000 0.545 130 I N 0.068 120.615 120.570 -0.038 0.000 2.142 130 I HA -0.159 4.011 4.170 -0.000 0.000 0.240 130 I C 3.021 179.088 176.117 -0.084 0.000 1.078 130 I CA 0.910 62.176 61.300 -0.057 0.000 1.343 130 I CB -0.282 37.682 38.000 -0.059 0.000 1.046 130 I HN 0.060 nan 8.210 nan 0.000 0.405 131 R N 0.888 121.333 120.500 -0.091 0.000 2.115 131 R HA -0.246 4.094 4.340 -0.000 0.000 0.239 131 R C 2.101 178.313 176.300 -0.146 0.000 1.133 131 R CA 2.374 58.403 56.100 -0.118 0.000 0.935 131 R CB -0.975 29.257 30.300 -0.114 0.000 0.853 131 R HN 0.514 nan 8.270 nan 0.000 0.433 132 N N -0.171 118.437 118.700 -0.154 0.000 2.061 132 N HA -0.176 4.564 4.740 -0.000 0.000 0.193 132 N C 1.904 177.403 175.510 -0.020 0.000 1.030 132 N CA 1.428 54.395 53.050 -0.138 0.000 0.856 132 N CB -0.086 38.229 38.487 -0.287 0.000 1.023 132 N HN -0.016 nan 8.380 nan 0.000 0.424 133 V N 0.833 120.722 119.914 -0.041 0.000 2.231 133 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 133 V C 2.454 178.467 176.094 -0.134 0.000 1.054 133 V CA 2.262 64.518 62.300 -0.073 0.000 1.015 133 V CB -1.357 30.412 31.823 -0.091 0.000 0.638 133 V HN 0.487 nan 8.190 nan 0.000 0.444 134 G N -0.555 108.143 108.800 -0.170 0.000 2.505 134 G HA2 -0.400 3.559 3.960 -0.000 0.000 0.220 134 G HA3 -0.400 3.559 3.960 -0.000 0.000 0.220 134 G C 1.608 176.373 174.900 -0.225 0.000 1.145 134 G CA 1.367 46.339 45.100 -0.212 0.000 0.761 134 G HN 0.527 nan 8.290 nan 0.000 0.571 135 K N -0.825 119.414 120.400 -0.268 0.000 2.152 135 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 135 K C 1.422 177.671 176.600 -0.586 0.000 1.048 135 K CA 1.261 57.266 56.287 -0.470 0.000 0.933 135 K CB -0.208 31.905 32.500 -0.644 0.000 0.721 135 K HN 0.479 nan 8.250 nan 0.000 0.447 136 Y N -0.614 119.616 120.300 -0.117 0.000 2.500 136 Y HA 0.228 4.778 4.550 -0.000 0.000 0.246 136 Y C -0.313 175.515 175.900 -0.121 0.000 1.146 136 Y CA -1.021 57.019 58.100 -0.101 0.000 1.230 136 Y CB 0.391 38.798 38.460 -0.089 0.000 1.214 136 Y HN -0.051 nan 8.280 nan 0.000 0.526 137 L N 2.430 123.608 121.223 -0.076 0.000 2.578 137 L HA 0.050 4.390 4.340 -0.000 0.000 0.279 137 L C -0.172 176.642 176.870 -0.092 0.000 1.227 137 L CA 0.458 55.203 54.840 -0.158 0.000 0.900 137 L CB 0.229 42.072 42.059 -0.360 0.000 1.144 137 L HN -0.030 nan 8.230 nan 0.000 0.496 138 K N 5.282 125.645 120.400 -0.061 0.000 2.340 138 K HA 0.536 4.856 4.320 -0.000 0.000 0.244 138 K C -2.529 174.088 176.600 0.029 0.000 0.973 138 K CA -1.956 54.326 56.287 -0.007 0.000 0.828 138 K CB 1.354 33.858 32.500 0.006 0.000 1.226 138 K HN 0.302 nan 8.250 nan 0.000 0.437 139 P HA -0.026 nan 4.420 nan 0.000 0.265 139 P C 0.710 178.056 177.300 0.077 0.000 1.193 139 P CA 1.047 64.201 63.100 0.090 0.000 0.765 139 P CB 0.321 32.057 31.700 0.060 0.000 0.823 140 G N 1.982 110.844 108.800 0.103 0.000 2.234 140 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 140 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 140 G C 0.362 175.304 174.900 0.071 0.000 0.987 140 G CA -0.141 45.004 45.100 0.074 0.000 0.625 140 G HN 0.450 nan 8.290 nan 0.000 0.532 141 M N 0.192 119.836 119.600 0.073 0.000 2.250 141 M HA 0.407 4.887 4.480 -0.000 0.000 0.325 141 M C 0.410 176.760 176.300 0.083 0.000 1.084 141 M CA 0.137 55.462 55.300 0.041 0.000 1.161 141 M CB 0.864 33.460 32.600 -0.006 0.000 1.481 141 M HN 0.335 nan 8.290 nan 0.000 0.449 142 L N 2.903 124.147 121.223 0.036 0.000 2.322 142 L HA 0.586 4.926 4.340 -0.000 0.000 0.281 142 L C -1.142 175.749 176.870 0.034 0.000 1.014 142 L CA -0.460 54.416 54.840 0.060 0.000 0.815 142 L CB 1.539 43.613 42.059 0.024 0.000 1.247 142 L HN 0.422 nan 8.230 nan 0.000 0.421 143 V N 5.517 125.483 119.914 0.087 0.000 2.459 143 V HA 0.602 4.722 4.120 -0.000 0.000 0.295 143 V C -0.527 175.625 176.094 0.096 0.000 1.029 143 V CA -0.624 61.710 62.300 0.056 0.000 0.874 143 V CB 1.812 33.653 31.823 0.030 0.000 0.985 143 V HN 0.571 nan 8.190 nan 0.000 0.438 144 V N 5.546 125.518 119.914 0.097 0.000 2.483 144 V HA 0.417 4.537 4.120 -0.000 0.000 0.297 144 V C -0.182 176.005 176.094 0.155 0.000 1.027 144 V CA -0.619 61.775 62.300 0.155 0.000 0.855 144 V CB 1.880 33.847 31.823 0.239 0.000 0.995 144 V HN 0.639 nan 8.190 nan 0.000 0.424 145 L N 4.244 125.571 121.223 0.173 0.000 2.385 145 L HA 0.351 4.691 4.340 -0.000 0.000 0.281 145 L C 1.125 178.156 176.870 0.269 0.000 1.106 145 L CA 0.203 55.160 54.840 0.196 0.000 0.856 145 L CB 0.639 42.786 42.059 0.148 0.000 1.186 145 L HN 0.790 nan 8.230 nan 0.000 0.453 146 E N 1.043 121.346 120.200 0.172 0.000 2.364 146 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 146 E C 0.359 177.023 176.600 0.107 0.000 0.990 146 E CA -0.074 56.390 56.400 0.106 0.000 0.886 146 E CB 0.531 30.298 29.700 0.112 0.000 0.866 146 E HN 0.601 nan 8.360 nan 0.000 0.493 147 S N 1.524 117.297 115.700 0.121 0.000 2.568 147 S HA 0.044 4.514 4.470 -0.000 0.000 0.282 147 S C 0.153 174.859 174.600 0.176 0.000 1.338 147 S CA -0.069 58.197 58.200 0.110 0.000 1.045 147 S CB 1.023 64.279 63.200 0.093 0.000 0.873 147 S HN 0.043 nan 8.310 nan 0.000 0.516 148 T N 4.121 118.772 114.554 0.161 0.000 2.793 148 T HA 0.258 4.608 4.350 -0.000 0.000 0.289 148 T C 0.477 175.285 174.700 0.180 0.000 0.956 148 T CA 0.170 62.376 62.100 0.177 0.000 1.177 148 T CB -0.898 68.055 68.868 0.141 0.000 0.897 148 T HN 0.510 nan 8.240 nan 0.000 0.533 149 I N 0.372 120.984 120.570 0.070 0.000 3.170 149 I HA 0.775 4.945 4.170 -0.000 0.000 0.312 149 I C 0.295 176.371 176.117 -0.068 0.000 1.085 149 I CA -1.314 59.945 61.300 -0.068 0.000 0.999 149 I CB 2.188 39.974 38.000 -0.356 0.000 1.233 149 I HN 0.457 nan 8.210 nan 0.000 0.467 150 T N -0.722 113.773 114.554 -0.097 0.000 2.902 150 T HA 0.536 4.885 4.350 -0.000 0.000 0.283 150 T C -2.696 171.948 174.700 -0.093 0.000 1.009 150 T CA -2.076 59.951 62.100 -0.123 0.000 1.051 150 T CB 1.030 69.819 68.868 -0.132 0.000 0.999 150 T HN 0.411 nan 8.240 nan 0.000 0.474 151 P HA 0.221 nan 4.420 nan 0.000 0.260 151 P C 1.116 178.398 177.300 -0.030 0.000 1.172 151 P CA 1.454 64.540 63.100 -0.024 0.000 0.760 151 P CB 0.067 31.781 31.700 0.024 0.000 0.773 152 G N 1.985 110.752 108.800 -0.055 0.000 2.201 152 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.212 152 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.212 152 G C 1.170 176.022 174.900 -0.080 0.000 0.994 152 G CA 0.406 45.478 45.100 -0.046 0.000 0.644 152 G HN 0.444 nan 8.290 nan 0.000 0.508 153 T N 1.348 115.821 114.554 -0.136 0.000 2.674 153 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 153 T C 2.543 177.144 174.700 -0.166 0.000 1.039 153 T CA 2.437 64.422 62.100 -0.192 0.000 1.150 153 T CB -0.644 68.032 68.868 -0.319 0.000 0.864 153 T HN 0.461 nan 8.240 nan 0.000 0.427 154 T N 2.483 116.932 114.554 -0.174 0.000 2.607 154 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 154 T C 1.866 176.533 174.700 -0.055 0.000 1.049 154 T CA 1.207 63.241 62.100 -0.109 0.000 1.162 154 T CB -0.315 68.501 68.868 -0.087 0.000 0.863 154 T HN 0.412 nan 8.240 nan 0.000 0.424 155 E N 0.589 120.760 120.200 -0.048 0.000 2.358 155 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 155 E C 1.896 178.478 176.600 -0.029 0.000 1.010 155 E CA 0.506 56.888 56.400 -0.030 0.000 0.856 155 E CB -0.152 29.533 29.700 -0.024 0.000 0.795 155 E HN 0.576 nan 8.360 nan 0.000 0.504 156 G N 1.717 110.492 108.800 -0.042 0.000 2.756 156 G HA2 0.023 3.983 3.960 -0.000 0.000 0.203 156 G HA3 0.023 3.983 3.960 -0.000 0.000 0.203 156 G C 1.480 176.356 174.900 -0.041 0.000 2.015 156 G CA 0.455 45.532 45.100 -0.037 0.000 0.835 156 G HN 0.179 nan 8.290 nan 0.000 0.648 157 M N 0.256 119.819 119.600 -0.061 0.000 2.319 157 M HA 0.385 4.865 4.480 -0.000 0.000 0.265 157 M C 2.453 178.716 176.300 -0.062 0.000 1.068 157 M CA 1.703 56.968 55.300 -0.058 0.000 1.118 157 M CB -0.239 32.321 32.600 -0.066 0.000 1.395 157 M HN 0.231 nan 8.290 nan 0.000 0.435 158 A N 2.781 125.552 122.820 -0.081 0.000 1.845 158 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 158 A C 2.407 179.988 177.584 -0.006 0.000 1.195 158 A CA 2.348 54.347 52.037 -0.063 0.000 0.616 158 A CB -0.874 18.079 19.000 -0.079 0.000 0.832 158 A HN 0.699 nan 8.150 nan 0.000 0.443 159 K N -0.661 119.751 120.400 0.020 0.000 2.097 159 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 159 K C 1.967 178.605 176.600 0.065 0.000 1.049 159 K CA 1.809 58.144 56.287 0.079 0.000 0.933 159 K CB -0.298 32.238 32.500 0.060 0.000 0.717 159 K HN 0.415 nan 8.250 nan 0.000 0.442 160 Q N 1.243 121.055 119.800 0.020 0.000 2.002 160 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 160 Q C 2.188 178.190 176.000 0.004 0.000 0.988 160 Q CA 2.569 58.378 55.803 0.011 0.000 0.843 160 Q CB -0.264 28.471 28.738 -0.005 0.000 0.908 160 Q HN 0.385 nan 8.270 nan 0.000 0.420 161 I N -0.091 120.470 120.570 -0.014 0.000 2.113 161 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 161 I C 1.843 177.937 176.117 -0.038 0.000 1.064 161 I CA 0.822 62.102 61.300 -0.033 0.000 1.320 161 I CB -0.425 37.546 38.000 -0.048 0.000 1.028 161 I HN 0.265 nan 8.210 nan 0.000 0.406 162 L N 0.519 121.731 121.223 -0.019 0.000 2.042 162 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 162 L C 2.515 179.381 176.870 -0.006 0.000 1.076 162 L CA 1.913 56.719 54.840 -0.056 0.000 0.749 162 L CB -1.271 40.784 42.059 -0.007 0.000 0.893 162 L HN 0.360 nan 8.230 nan 0.000 0.432 163 E N -0.807 119.447 120.200 0.091 0.000 2.112 163 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 163 E C 1.968 178.590 176.600 0.036 0.000 0.979 163 E CA 0.730 57.199 56.400 0.115 0.000 0.814 163 E CB 0.051 29.821 29.700 0.118 0.000 0.762 163 E HN 0.564 nan 8.360 nan 0.000 0.460 164 E N 0.802 121.005 120.200 0.004 0.000 2.072 164 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 164 E C 2.024 178.599 176.600 -0.042 0.000 0.985 164 E CA 0.793 57.182 56.400 -0.017 0.000 0.801 164 E CB 0.112 29.797 29.700 -0.025 0.000 0.750 164 E HN 0.176 nan 8.360 nan 0.000 0.452 165 E N 0.348 120.509 120.200 -0.065 0.000 2.076 165 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 165 E C 2.335 178.867 176.600 -0.113 0.000 0.979 165 E CA 1.337 57.675 56.400 -0.105 0.000 0.807 165 E CB -0.053 29.564 29.700 -0.138 0.000 0.761 165 E HN 0.218 nan 8.360 nan 0.000 0.454 166 S N -0.589 115.049 115.700 -0.103 0.000 2.406 166 S HA 0.095 4.565 4.470 -0.000 0.000 0.224 166 S C 1.706 176.282 174.600 -0.039 0.000 1.030 166 S CA 0.808 58.949 58.200 -0.098 0.000 0.958 166 S CB -0.017 63.101 63.200 -0.135 0.000 0.811 166 S HN 0.305 nan 8.310 nan 0.000 0.489 167 G N 1.082 109.877 108.800 -0.008 0.000 2.198 167 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.257 167 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.257 167 G C -0.215 174.716 174.900 0.053 0.000 1.042 167 G CA 0.616 45.726 45.100 0.016 0.000 0.791 167 G HN 0.573 nan 8.290 nan 0.000 0.502 168 L N -1.535 119.759 121.223 0.118 0.000 2.257 168 L HA 0.779 5.119 4.340 -0.000 0.000 0.257 168 L C 0.070 177.086 176.870 0.243 0.000 1.033 168 L CA -1.417 53.534 54.840 0.184 0.000 0.835 168 L CB 1.373 43.595 42.059 0.272 0.000 1.398 168 L HN -0.185 nan 8.230 nan 0.000 0.429 169 K N 1.016 121.481 120.400 0.108 0.000 2.244 169 K HA 0.623 4.943 4.320 -0.000 0.000 0.260 169 K C -0.778 175.500 176.600 -0.536 0.000 0.951 169 K CA -0.559 55.676 56.287 -0.087 0.000 0.826 169 K CB 2.082 34.531 32.500 -0.084 0.000 1.108 169 K HN 0.681 nan 8.250 nan 0.000 0.433 170 A N 0.892 123.282 122.820 -0.717 0.000 2.492 170 A HA 0.460 4.780 4.320 -0.000 0.000 0.254 170 A C 1.151 178.409 177.584 -0.543 0.000 1.091 170 A CA 0.981 52.356 52.037 -1.104 0.000 0.768 170 A CB -0.434 18.230 19.000 -0.561 0.000 1.028 170 A HN 0.942 nan 8.150 nan 0.000 0.498 171 G N 1.873 110.378 108.800 -0.492 0.000 2.175 171 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 171 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 171 G C 0.318 175.107 174.900 -0.184 0.000 0.982 171 G CA 0.785 45.740 45.100 -0.241 0.000 0.641 171 G HN 0.767 nan 8.290 nan 0.000 0.527 172 E N -0.920 119.146 120.200 -0.224 0.000 3.100 172 E HA 0.111 4.461 4.350 -0.000 0.000 0.191 172 E C 1.181 177.719 176.600 -0.104 0.000 1.097 172 E CA 0.061 56.385 56.400 -0.128 0.000 1.339 172 E CB 0.096 29.736 29.700 -0.100 0.000 1.330 172 E HN 0.163 nan 8.360 nan 0.000 0.511 173 D N 0.483 120.811 120.400 -0.121 0.000 2.183 173 D HA 0.051 4.691 4.640 -0.000 0.000 0.205 173 D C 0.438 176.805 176.300 0.111 0.000 0.962 173 D CA 0.927 54.938 54.000 0.018 0.000 0.849 173 D CB 0.401 41.273 40.800 0.120 0.000 0.978 173 D HN 0.084 nan 8.370 nan 0.000 0.488 174 F N -0.721 119.225 119.950 -0.007 0.000 2.643 174 F HA 0.731 5.257 4.527 -0.000 0.000 0.314 174 F C -1.190 174.607 175.800 -0.004 0.000 1.096 174 F CA -1.828 56.168 58.000 -0.007 0.000 0.953 174 F CB 1.237 40.231 39.000 -0.010 0.000 1.345 174 F HN -0.212 nan 8.300 nan 0.000 0.468 175 A N 2.401 125.343 122.820 0.204 0.000 2.312 175 A HA 0.789 5.109 4.320 -0.000 0.000 0.326 175 A C -1.506 176.196 177.584 0.196 0.000 1.172 175 A CA -0.809 51.285 52.037 0.096 0.000 0.821 175 A CB 1.186 20.232 19.000 0.076 0.000 1.166 175 A HN 0.964 nan 8.150 nan 0.000 0.493 176 L N 1.602 122.892 121.223 0.111 0.000 2.436 176 L HA 0.753 5.093 4.340 -0.000 0.000 0.268 176 L C -0.218 176.714 176.870 0.104 0.000 0.974 176 L CA -0.377 54.550 54.840 0.146 0.000 0.826 176 L CB 1.847 43.989 42.059 0.138 0.000 1.291 176 L HN 0.956 nan 8.230 nan 0.000 0.406 177 A N 2.269 125.164 122.820 0.125 0.000 2.530 177 A HA 0.734 5.054 4.320 -0.000 0.000 0.288 177 A C -1.979 175.712 177.584 0.178 0.000 1.172 177 A CA -0.460 51.656 52.037 0.131 0.000 0.733 177 A CB 1.761 20.845 19.000 0.139 0.000 1.320 177 A HN 0.780 nan 8.150 nan 0.000 0.419 178 H N -0.320 118.772 119.070 0.036 0.000 2.823 178 H HA 0.687 5.243 4.556 -0.000 0.000 0.332 178 H C -0.784 174.533 175.328 -0.017 0.000 0.980 178 H CA 0.027 56.083 56.048 0.012 0.000 1.286 178 H CB 1.392 31.149 29.762 -0.009 0.000 1.541 178 H HN 0.884 nan 8.280 nan 0.000 0.521 179 A N 7.506 130.127 122.820 -0.332 0.000 2.802 179 A HA 0.397 4.717 4.320 -0.000 0.000 0.344 179 A C -2.865 174.419 177.584 -0.501 0.000 1.215 179 A CA -1.552 50.205 52.037 -0.467 0.000 0.821 179 A CB 0.119 18.789 19.000 -0.549 0.000 1.099 179 A HN 0.538 nan 8.150 nan 0.000 0.479 180 P HA 0.289 nan 4.420 nan 0.000 0.272 180 P C -0.531 176.653 177.300 -0.193 0.000 1.223 180 P CA 0.161 63.060 63.100 -0.335 0.000 0.784 180 P CB 1.223 32.768 31.700 -0.258 0.000 0.923 181 E N 1.476 121.624 120.200 -0.086 0.000 2.256 181 E HA 0.309 4.659 4.350 -0.000 0.000 0.267 181 E C -0.329 176.288 176.600 0.028 0.000 0.892 181 E CA -0.803 55.575 56.400 -0.036 0.000 0.775 181 E CB 2.058 31.738 29.700 -0.032 0.000 1.207 181 E HN 0.414 nan 8.360 nan 0.000 0.420 182 R N 0.573 121.117 120.500 0.074 0.000 2.295 182 R HA 0.707 5.047 4.340 -0.000 0.000 0.324 182 R C -0.430 175.986 176.300 0.195 0.000 0.968 182 R CA -0.784 55.388 56.100 0.119 0.000 0.837 182 R CB 1.196 31.548 30.300 0.087 0.000 1.133 182 R HN 0.052 nan 8.270 nan 0.000 0.450 183 V N 4.558 124.557 119.914 0.142 0.000 3.087 183 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 183 V C -0.750 175.409 176.094 0.108 0.000 1.187 183 V CA -0.945 61.414 62.300 0.099 0.000 0.999 183 V CB 2.477 34.349 31.823 0.082 0.000 1.049 183 V HN 0.874 nan 8.190 nan 0.000 0.431 184 M N 3.099 122.737 119.600 0.064 0.000 2.501 184 M HA 0.793 5.273 4.480 -0.000 0.000 0.293 184 M C -0.484 175.821 176.300 0.009 0.000 1.192 184 M CA -1.015 54.310 55.300 0.041 0.000 0.886 184 M CB 1.844 34.458 32.600 0.024 0.000 1.710 184 M HN 0.406 nan 8.290 nan 0.000 0.457 185 V N 0.279 120.171 119.914 -0.037 0.000 3.032 185 V HA 0.555 4.675 4.120 -0.000 0.000 0.307 185 V C 1.160 177.229 176.094 -0.042 0.000 1.097 185 V CA 0.786 63.052 62.300 -0.057 0.000 1.191 185 V CB -0.064 31.671 31.823 -0.147 0.000 0.964 185 V HN 1.357 nan 8.190 nan 0.000 0.494 186 G N 3.335 112.116 108.800 -0.032 0.000 2.328 186 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.256 186 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.256 186 G C 0.767 175.649 174.900 -0.030 0.000 1.014 186 G CA 0.661 45.742 45.100 -0.030 0.000 0.620 186 G HN 0.868 nan 8.290 nan 0.000 0.530 187 R N -0.417 120.065 120.500 -0.031 0.000 2.700 187 R HA 0.432 4.772 4.340 -0.000 0.000 0.399 187 R C 1.436 177.696 176.300 -0.065 0.000 1.115 187 R CA -0.561 55.511 56.100 -0.046 0.000 1.058 187 R CB 0.123 30.398 30.300 -0.042 0.000 1.389 187 R HN 0.254 nan 8.270 nan 0.000 0.582 188 L N 0.398 121.595 121.223 -0.043 0.000 1.988 188 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 188 L C 1.845 178.667 176.870 -0.080 0.000 1.071 188 L CA 1.747 56.562 54.840 -0.041 0.000 0.744 188 L CB -0.563 41.494 42.059 -0.003 0.000 0.893 188 L HN 0.192 nan 8.230 nan 0.000 0.433 189 L N -0.123 121.055 121.223 -0.074 0.000 2.043 189 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 189 L C 2.510 179.322 176.870 -0.097 0.000 1.075 189 L CA 1.887 56.677 54.840 -0.083 0.000 0.752 189 L CB -0.917 41.102 42.059 -0.067 0.000 0.891 189 L HN 0.420 nan 8.230 nan 0.000 0.432 190 K N -1.478 118.858 120.400 -0.105 0.000 2.243 190 K HA -0.024 4.296 4.320 -0.000 0.000 0.201 190 K C 1.699 178.169 176.600 -0.216 0.000 1.051 190 K CA 1.123 57.339 56.287 -0.118 0.000 0.970 190 K CB -0.528 31.923 32.500 -0.081 0.000 0.755 190 K HN 0.397 nan 8.250 nan 0.000 0.465 191 N N 1.615 120.119 118.700 -0.326 0.000 2.025 191 N HA -0.119 4.621 4.740 -0.000 0.000 0.194 191 N C 1.996 177.264 175.510 -0.404 0.000 1.044 191 N CA 1.524 54.159 53.050 -0.692 0.000 0.851 191 N CB -0.276 37.900 38.487 -0.518 0.000 1.036 191 N HN 0.102 nan 8.380 nan 0.000 0.422 192 I N 1.006 121.456 120.570 -0.200 0.000 2.208 192 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 192 I C 2.295 178.372 176.117 -0.067 0.000 1.097 192 I CA 1.276 62.511 61.300 -0.108 0.000 1.363 192 I CB -0.244 37.692 38.000 -0.107 0.000 1.051 192 I HN 0.139 nan 8.210 nan 0.000 0.413 193 R N 0.436 120.890 120.500 -0.076 0.000 2.093 193 R HA -0.061 4.279 4.340 -0.000 0.000 0.224 193 R C 1.952 178.250 176.300 -0.005 0.000 1.101 193 R CA 1.098 57.179 56.100 -0.032 0.000 0.979 193 R CB -0.019 30.259 30.300 -0.038 0.000 0.877 193 R HN 0.432 nan 8.270 nan 0.000 0.441 194 E N -1.018 119.173 120.200 -0.015 0.000 2.340 194 E HA 0.036 4.386 4.350 -0.000 0.000 0.198 194 E C -0.270 176.431 176.600 0.169 0.000 0.961 194 E CA -0.066 56.366 56.400 0.055 0.000 0.905 194 E CB 0.312 30.039 29.700 0.046 0.000 0.884 194 E HN 0.247 nan 8.360 nan 0.000 0.491 195 H N 2.163 121.226 119.070 -0.011 0.000 2.886 195 H HA 0.058 4.614 4.556 0.000 0.000 0.329 195 H C -0.168 175.147 175.328 -0.022 0.000 1.044 195 H CA -0.566 55.472 56.048 -0.017 0.000 1.456 195 H CB 0.028 29.777 29.762 -0.022 0.000 1.464 195 H HN -0.020 nan 8.280 nan 0.000 0.573 196 D N 1.790 122.229 120.400 0.065 0.000 2.449 196 D HA 0.006 4.646 4.640 -0.000 0.000 0.236 196 D C 0.604 176.904 176.300 0.001 0.000 1.149 196 D CA 0.302 54.313 54.000 0.019 0.000 0.878 196 D CB 0.751 41.543 40.800 -0.013 0.000 1.198 196 D HN 0.331 nan 8.370 nan 0.000 0.446 197 R N 2.094 122.579 120.500 -0.025 0.000 2.409 197 R HA 0.270 4.610 4.340 -0.000 0.000 0.313 197 R C -0.924 175.309 176.300 -0.111 0.000 0.953 197 R CA -0.621 55.428 56.100 -0.085 0.000 0.849 197 R CB 0.272 30.507 30.300 -0.109 0.000 1.171 197 R HN 0.233 nan 8.270 nan 0.000 0.458 198 I N 5.261 125.751 120.570 -0.134 0.000 2.533 198 I HA 0.180 4.350 4.170 -0.000 0.000 0.284 198 I C -0.233 175.778 176.117 -0.177 0.000 1.109 198 I CA -0.255 60.968 61.300 -0.128 0.000 1.412 198 I CB 0.842 38.767 38.000 -0.125 0.000 1.396 198 I HN 0.283 nan 8.210 nan 0.000 0.543 199 V N 5.682 125.529 119.914 -0.110 0.000 2.524 199 V HA 0.684 4.804 4.120 -0.000 0.000 0.297 199 V C 0.303 176.383 176.094 -0.022 0.000 1.035 199 V CA -0.540 61.706 62.300 -0.090 0.000 0.867 199 V CB 1.894 33.699 31.823 -0.030 0.000 1.004 199 V HN 0.941 nan 8.190 nan 0.000 0.426 200 G N 2.684 111.483 108.800 -0.001 0.000 2.626 200 G HA2 0.661 4.621 3.960 -0.000 0.000 0.304 200 G HA3 0.661 4.621 3.960 -0.000 0.000 0.304 200 G C -0.160 174.777 174.900 0.062 0.000 1.385 200 G CA -0.230 44.891 45.100 0.034 0.000 0.957 200 G HN 0.972 nan 8.290 nan 0.000 0.504 201 G N 0.878 109.708 108.800 0.050 0.000 2.462 201 G HA2 0.469 4.429 3.960 -0.000 0.000 0.319 201 G HA3 0.469 4.429 3.960 -0.000 0.000 0.319 201 G C 1.167 176.086 174.900 0.032 0.000 1.171 201 G CA -0.710 44.420 45.100 0.050 0.000 0.920 201 G HN 1.031 nan 8.290 nan 0.000 0.499 202 I N -2.233 118.349 120.570 0.020 0.000 3.001 202 I HA 0.197 4.367 4.170 -0.000 0.000 0.268 202 I C -0.357 175.752 176.117 -0.013 0.000 1.267 202 I CA 0.128 61.427 61.300 -0.001 0.000 1.472 202 I CB -0.443 37.546 38.000 -0.020 0.000 1.089 202 I HN 0.352 nan 8.210 nan 0.000 0.468 203 D N -0.985 119.409 120.400 -0.010 0.000 2.639 203 D HA 0.150 4.789 4.640 -0.000 0.000 0.271 203 D C 0.277 176.577 176.300 -0.001 0.000 1.254 203 D CA -0.706 53.287 54.000 -0.012 0.000 0.810 203 D CB 0.519 41.303 40.800 -0.027 0.000 1.351 203 D HN -0.100 nan 8.370 nan 0.000 0.427 204 E N 0.095 120.295 120.200 0.000 0.000 2.153 204 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 204 E C 1.856 178.462 176.600 0.010 0.000 0.988 204 E CA 1.434 57.838 56.400 0.007 0.000 0.811 204 E CB -0.301 29.402 29.700 0.006 0.000 0.746 204 E HN 0.554 nan 8.360 nan 0.000 0.466 205 A N 1.584 124.406 122.820 0.003 0.000 1.902 205 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 205 A C 2.488 180.082 177.584 0.016 0.000 1.181 205 A CA 1.853 53.894 52.037 0.006 0.000 0.623 205 A CB -0.432 18.565 19.000 -0.005 0.000 0.818 205 A HN 0.184 nan 8.150 nan 0.000 0.443 206 S N -0.608 115.101 115.700 0.014 0.000 2.387 206 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 206 S C 2.022 176.652 174.600 0.051 0.000 1.026 206 S CA 1.489 59.708 58.200 0.033 0.000 0.972 206 S CB -0.579 62.638 63.200 0.028 0.000 0.814 206 S HN 0.669 nan 8.310 nan 0.000 0.477 207 T N 2.212 116.793 114.554 0.044 0.000 2.635 207 T HA -0.156 4.193 4.350 -0.000 0.000 0.267 207 T C 1.838 176.573 174.700 0.059 0.000 1.040 207 T CA 1.595 63.726 62.100 0.052 0.000 1.156 207 T CB -0.243 68.647 68.868 0.036 0.000 0.863 207 T HN 0.317 nan 8.240 nan 0.000 0.430 208 K N 0.073 120.501 120.400 0.046 0.000 2.155 208 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 208 K C 2.482 179.115 176.600 0.056 0.000 1.052 208 K CA 0.654 56.970 56.287 0.047 0.000 0.948 208 K CB -0.010 32.511 32.500 0.034 0.000 0.728 208 K HN -0.060 nan 8.250 nan 0.000 0.448 209 R N 0.526 121.057 120.500 0.052 0.000 2.115 209 R HA 0.013 4.353 4.340 -0.000 0.000 0.230 209 R C 1.683 178.022 176.300 0.065 0.000 1.111 209 R CA 1.644 57.773 56.100 0.049 0.000 0.976 209 R CB -0.485 29.839 30.300 0.040 0.000 0.870 209 R HN 0.209 nan 8.270 nan 0.000 0.445 210 A N -0.600 122.277 122.820 0.096 0.000 1.903 210 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 210 A C 2.230 179.952 177.584 0.230 0.000 1.185 210 A CA 1.088 53.221 52.037 0.160 0.000 0.628 210 A CB -0.540 18.581 19.000 0.202 0.000 0.830 210 A HN 0.123 nan 8.150 nan 0.000 0.446 211 V N 0.866 120.886 119.914 0.177 0.000 2.317 211 V HA -0.372 3.748 4.120 -0.000 0.000 0.251 211 V C 2.372 178.569 176.094 0.171 0.000 1.065 211 V CA 2.561 64.965 62.300 0.173 0.000 1.049 211 V CB -0.998 30.889 31.823 0.106 0.000 0.651 211 V HN 0.684 nan 8.190 nan 0.000 0.450 212 E N -0.425 119.850 120.200 0.126 0.000 2.153 212 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 212 E C 2.075 178.781 176.600 0.178 0.000 0.988 212 E CA 1.218 57.691 56.400 0.122 0.000 0.811 212 E CB -0.216 29.538 29.700 0.091 0.000 0.746 212 E HN 0.472 nan 8.360 nan 0.000 0.466 213 L N -0.366 120.906 121.223 0.082 0.000 2.109 213 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 213 L C 1.446 178.290 176.870 -0.044 0.000 1.086 213 L CA 1.691 56.455 54.840 -0.127 0.000 0.760 213 L CB -0.111 41.667 42.059 -0.469 0.000 0.910 213 L HN 0.053 nan 8.230 nan 0.000 0.437 214 Y N -2.019 118.439 120.300 0.264 0.000 2.507 214 Y HA 0.164 4.714 4.550 0.000 0.000 0.263 214 Y C 2.570 178.592 175.900 0.203 0.000 1.093 214 Y CA 0.646 58.913 58.100 0.277 0.000 1.285 214 Y CB -0.350 38.219 38.460 0.182 0.000 1.115 214 Y HN 0.031 nan 8.280 nan 0.000 0.533 215 S N 0.855 116.719 115.700 0.272 0.000 2.370 215 S HA -0.126 4.344 4.470 -0.000 0.000 0.226 215 S C -0.613 174.066 174.600 0.132 0.000 1.033 215 S CA 1.629 59.929 58.200 0.166 0.000 1.011 215 S CB -1.077 62.187 63.200 0.107 0.000 0.852 215 S HN 0.326 nan 8.310 nan 0.000 0.457 216 P HA 0.018 nan 4.420 nan 0.000 0.229 216 P C 1.407 178.765 177.300 0.097 0.000 1.160 216 P CA 0.606 63.732 63.100 0.043 0.000 0.777 216 P CB -0.142 31.467 31.700 -0.151 0.000 0.814 217 V N -4.410 115.612 119.914 0.180 0.000 3.506 217 V HA 0.116 4.236 4.120 -0.000 0.000 0.263 217 V C 0.764 176.901 176.094 0.071 0.000 1.203 217 V CA 0.310 62.679 62.300 0.115 0.000 1.133 217 V CB -1.157 30.718 31.823 0.086 0.000 0.802 217 V HN -0.130 nan 8.190 nan 0.000 0.459 218 L N 2.849 124.127 121.223 0.092 0.000 2.416 218 L HA 0.416 4.756 4.340 -0.000 0.000 0.272 218 L C 0.611 177.504 176.870 0.039 0.000 1.161 218 L CA 0.773 55.651 54.840 0.063 0.000 0.845 218 L CB 1.050 43.155 42.059 0.077 0.000 1.119 218 L HN 0.479 nan 8.230 nan 0.000 0.464 219 T N 0.076 114.645 114.554 0.025 0.000 3.226 219 T HA 0.502 4.852 4.350 -0.000 0.000 0.378 219 T C 0.301 175.012 174.700 0.018 0.000 1.380 219 T CA -0.391 61.718 62.100 0.016 0.000 1.396 219 T CB 1.056 69.927 68.868 0.006 0.000 1.044 219 T HN 0.447 nan 8.240 nan 0.000 0.586 220 V N 1.144 121.071 119.914 0.022 0.000 0.404 220 V HA -0.139 3.981 4.120 -0.000 0.000 0.092 220 V C 1.643 177.756 176.094 0.032 0.000 2.683 220 V CA 1.248 63.562 62.300 0.024 0.000 3.784 220 V CB -1.756 30.081 31.823 0.024 0.000 1.044 220 V HN 1.164 nan 8.190 nan 0.000 1.099 221 G N 1.171 109.995 108.800 0.040 0.000 2.614 221 G HA2 0.445 4.405 3.960 -0.000 0.000 0.239 221 G HA3 0.445 4.405 3.960 -0.000 0.000 0.239 221 G C -0.423 174.501 174.900 0.040 0.000 1.240 221 G CA 0.339 45.468 45.100 0.049 0.000 0.842 221 G HN 0.596 nan 8.290 nan 0.000 0.584 222 Q N -0.620 119.200 119.800 0.033 0.000 2.413 222 Q HA 0.433 4.773 4.340 -0.000 0.000 0.276 222 Q C -0.840 175.175 176.000 0.026 0.000 1.099 222 Q CA -0.970 54.851 55.803 0.031 0.000 0.814 222 Q CB 2.943 31.694 28.738 0.021 0.000 1.379 222 Q HN 0.342 nan 8.270 nan 0.000 0.436 223 V N 2.677 122.613 119.914 0.035 0.000 2.614 223 V HA 0.201 4.321 4.120 -0.000 0.000 0.291 223 V C -0.100 176.001 176.094 0.011 0.000 1.049 223 V CA 0.197 62.514 62.300 0.029 0.000 1.038 223 V CB 0.589 32.452 31.823 0.065 0.000 0.980 223 V HN 0.563 nan 8.190 nan 0.000 0.481 224 I N 7.943 128.507 120.570 -0.010 0.000 2.405 224 I HA 0.348 4.518 4.170 -0.000 0.000 0.280 224 I C -2.446 173.663 176.117 -0.014 0.000 1.027 224 I CA -1.774 59.517 61.300 -0.015 0.000 1.161 224 I CB 1.955 39.938 38.000 -0.029 0.000 1.300 224 I HN 0.446 nan 8.210 nan 0.000 0.463 225 P HA 0.498 nan 4.420 nan 0.000 0.294 225 P C -0.892 176.410 177.300 0.004 0.000 1.294 225 P CA -0.403 62.702 63.100 0.008 0.000 0.827 225 P CB 1.795 33.508 31.700 0.021 0.000 0.992 226 M N 0.181 119.784 119.600 0.006 0.000 3.767 226 M HA 0.493 4.973 4.480 -0.000 0.000 0.327 226 M C -0.790 175.518 176.300 0.014 0.000 1.529 226 M CA -0.921 54.383 55.300 0.006 0.000 0.871 226 M CB 1.194 33.793 32.600 -0.002 0.000 2.008 226 M HN 0.184 nan 8.290 nan 0.000 0.485 227 S N 0.687 116.395 115.700 0.015 0.000 2.603 227 S HA 0.610 5.080 4.470 -0.000 0.000 0.268 227 S C 1.015 175.635 174.600 0.033 0.000 1.317 227 S CA -0.121 58.091 58.200 0.020 0.000 1.012 227 S CB 1.292 64.500 63.200 0.014 0.000 0.926 227 S HN 0.981 nan 8.310 nan 0.000 0.539 228 A N 2.386 125.232 122.820 0.043 0.000 1.892 228 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 228 A C 2.277 179.899 177.584 0.064 0.000 1.188 228 A CA 2.301 54.382 52.037 0.073 0.000 0.631 228 A CB -1.994 17.040 19.000 0.058 0.000 0.822 228 A HN 0.913 nan 8.150 nan 0.000 0.447 229 T N 0.179 114.750 114.554 0.028 0.000 2.788 229 T HA -0.006 4.344 4.350 -0.000 0.000 0.268 229 T C 2.158 176.874 174.700 0.026 0.000 1.044 229 T CA 1.534 63.643 62.100 0.015 0.000 1.139 229 T CB -0.413 68.459 68.868 0.006 0.000 0.867 229 T HN 0.619 nan 8.240 nan 0.000 0.454 230 A N 1.292 124.127 122.820 0.025 0.000 1.969 230 A HA 0.235 4.555 4.320 -0.000 0.000 0.218 230 A C 2.627 180.223 177.584 0.021 0.000 1.169 230 A CA 1.637 53.683 52.037 0.015 0.000 0.635 230 A CB -0.978 18.026 19.000 0.007 0.000 0.810 230 A HN 0.496 nan 8.150 nan 0.000 0.445 231 A N 0.057 122.906 122.820 0.049 0.000 1.877 231 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 231 A C 1.911 179.571 177.584 0.126 0.000 1.186 231 A CA 1.759 53.834 52.037 0.064 0.000 0.620 231 A CB -0.565 18.482 19.000 0.078 0.000 0.822 231 A HN 0.612 nan 8.150 nan 0.000 0.443 232 E N -0.531 119.777 120.200 0.179 0.000 2.077 232 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 232 E C 1.909 178.541 176.600 0.053 0.000 0.989 232 E CA 1.236 57.710 56.400 0.123 0.000 0.800 232 E CB -0.228 29.467 29.700 -0.009 0.000 0.746 232 E HN 0.371 nan 8.360 nan 0.000 0.452 233 V N 1.035 120.966 119.914 0.028 0.000 2.515 233 V HA -0.232 3.887 4.120 -0.000 0.000 0.250 233 V C 2.188 178.266 176.094 -0.028 0.000 1.058 233 V CA 1.929 64.231 62.300 0.002 0.000 1.064 233 V CB -0.603 31.219 31.823 -0.000 0.000 0.675 233 V HN 0.350 nan 8.190 nan 0.000 0.461 234 T N 0.485 115.022 114.554 -0.027 0.000 2.684 234 T HA -0.272 4.078 4.350 -0.000 0.000 0.267 234 T C 1.969 176.633 174.700 -0.060 0.000 1.036 234 T CA 2.149 64.211 62.100 -0.064 0.000 1.148 234 T CB -0.261 68.573 68.868 -0.056 0.000 0.863 234 T HN 0.547 nan 8.240 nan 0.000 0.436 235 K N 1.548 121.939 120.400 -0.015 0.000 2.097 235 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 235 K C 2.269 178.873 176.600 0.006 0.000 1.049 235 K CA 2.158 58.446 56.287 0.002 0.000 0.933 235 K CB -0.914 31.610 32.500 0.040 0.000 0.717 235 K HN 0.488 nan 8.250 nan 0.000 0.442 236 T N -2.179 112.379 114.554 0.007 0.000 2.770 236 T HA 0.057 4.407 4.350 -0.000 0.000 0.263 236 T C 2.103 176.777 174.700 -0.042 0.000 1.039 236 T CA 0.997 63.105 62.100 0.014 0.000 1.142 236 T CB -0.730 68.167 68.868 0.049 0.000 0.868 236 T HN 0.225 nan 8.240 nan 0.000 0.435 237 A N 2.831 125.592 122.820 -0.098 0.000 1.978 237 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 237 A C 2.345 179.820 177.584 -0.181 0.000 1.170 237 A CA 1.874 53.791 52.037 -0.200 0.000 0.636 237 A CB -0.741 18.058 19.000 -0.336 0.000 0.810 237 A HN 0.883 nan 8.150 nan 0.000 0.448 238 E N -0.364 119.764 120.200 -0.120 0.000 2.107 238 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 238 E C 1.365 177.973 176.600 0.013 0.000 0.982 238 E CA 1.116 57.476 56.400 -0.067 0.000 0.809 238 E CB -0.452 29.213 29.700 -0.059 0.000 0.756 238 E HN 0.558 nan 8.360 nan 0.000 0.459 239 N N 0.922 119.632 118.700 0.017 0.000 2.171 239 N HA -0.070 4.670 4.740 -0.000 0.000 0.184 239 N C 1.926 177.455 175.510 0.032 0.000 1.021 239 N CA 1.649 54.721 53.050 0.037 0.000 0.854 239 N CB -0.592 37.923 38.487 0.047 0.000 0.994 239 N HN 0.163 nan 8.380 nan 0.000 0.426 240 T N 1.395 115.950 114.554 0.001 0.000 2.635 240 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 240 T C 1.662 176.393 174.700 0.052 0.000 1.040 240 T CA 1.127 63.196 62.100 -0.051 0.000 1.156 240 T CB -0.358 68.372 68.868 -0.229 0.000 0.863 240 T HN 0.081 nan 8.240 nan 0.000 0.430 241 F N 1.215 121.077 119.950 -0.147 0.000 2.186 241 F HA 0.064 4.591 4.527 -0.001 0.000 0.299 241 F C 2.515 178.300 175.800 -0.026 0.000 1.090 241 F CA 0.696 58.656 58.000 -0.067 0.000 1.307 241 F CB -0.588 38.381 39.000 -0.052 0.000 1.019 241 F HN 0.033 nan 8.300 nan 0.000 0.489 242 R N 0.498 121.089 120.500 0.153 0.000 2.070 242 R HA -0.208 4.132 4.340 -0.000 0.000 0.233 242 R C 2.064 178.394 176.300 0.050 0.000 1.137 242 R CA 2.162 58.314 56.100 0.087 0.000 0.945 242 R CB -0.717 29.628 30.300 0.076 0.000 0.845 242 R HN 0.178 nan 8.270 nan 0.000 0.430 243 D N 0.071 120.492 120.400 0.035 0.000 2.123 243 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 243 D C 1.868 178.167 176.300 -0.002 0.000 0.992 243 D CA 1.262 55.269 54.000 0.011 0.000 0.833 243 D CB -0.114 40.680 40.800 -0.010 0.000 0.954 243 D HN 0.271 nan 8.370 nan 0.000 0.455 244 L N 0.666 121.882 121.223 -0.013 0.000 2.083 244 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 244 L C 2.297 179.141 176.870 -0.043 0.000 1.083 244 L CA 1.874 56.692 54.840 -0.036 0.000 0.752 244 L CB -0.895 41.117 42.059 -0.078 0.000 0.899 244 L HN 0.249 nan 8.230 nan 0.000 0.433 245 Q N -0.977 118.808 119.800 -0.026 0.000 2.226 245 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 245 Q C 2.187 178.176 176.000 -0.019 0.000 0.975 245 Q CA 1.971 57.760 55.803 -0.023 0.000 0.866 245 Q CB -0.536 28.201 28.738 -0.002 0.000 0.915 245 Q HN 0.591 nan 8.270 nan 0.000 0.440 246 I N 1.241 121.811 120.570 0.000 0.000 2.406 246 I HA -0.130 4.040 4.170 -0.000 0.000 0.249 246 I C 2.461 178.571 176.117 -0.011 0.000 1.122 246 I CA 0.765 62.072 61.300 0.012 0.000 1.431 246 I CB -0.225 37.795 38.000 0.033 0.000 1.087 246 I HN 0.257 nan 8.210 nan 0.000 0.424 247 A N 0.737 123.544 122.820 -0.022 0.000 1.969 247 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 247 A C 2.525 180.067 177.584 -0.070 0.000 1.169 247 A CA 1.556 53.572 52.037 -0.036 0.000 0.635 247 A CB -0.711 18.269 19.000 -0.032 0.000 0.810 247 A HN 0.403 nan 8.150 nan 0.000 0.445 248 A N 0.652 123.427 122.820 -0.075 0.000 1.873 248 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 248 A C 1.975 179.490 177.584 -0.115 0.000 1.193 248 A CA 2.085 54.062 52.037 -0.099 0.000 0.629 248 A CB -0.784 18.165 19.000 -0.086 0.000 0.826 248 A HN 0.699 nan 8.150 nan 0.000 0.447 249 I N -0.585 119.928 120.570 -0.094 0.000 2.406 249 I HA -0.099 4.071 4.170 -0.000 0.000 0.249 249 I C 1.819 177.871 176.117 -0.108 0.000 1.122 249 I CA 1.256 62.489 61.300 -0.111 0.000 1.431 249 I CB -0.966 36.968 38.000 -0.109 0.000 1.087 249 I HN 0.100 nan 8.210 nan 0.000 0.424 250 N N 1.140 119.796 118.700 -0.074 0.000 2.061 250 N HA -0.273 4.467 4.740 -0.000 0.000 0.193 250 N C 1.966 177.405 175.510 -0.119 0.000 1.030 250 N CA 1.875 54.888 53.050 -0.061 0.000 0.856 250 N CB -0.445 38.029 38.487 -0.022 0.000 1.023 250 N HN 0.588 nan 8.380 nan 0.000 0.424 251 Q N 0.646 120.346 119.800 -0.165 0.000 2.135 251 Q HA -0.029 4.310 4.340 -0.000 0.000 0.204 251 Q C 1.965 177.732 176.000 -0.387 0.000 0.981 251 Q CA 1.111 56.735 55.803 -0.299 0.000 0.856 251 Q CB -0.361 28.176 28.738 -0.334 0.000 0.902 251 Q HN 0.376 nan 8.270 nan 0.000 0.425 252 L N -0.463 120.606 121.223 -0.258 0.000 2.156 252 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 252 L C 2.119 178.929 176.870 -0.100 0.000 1.095 252 L CA 1.311 56.044 54.840 -0.178 0.000 0.770 252 L CB -0.823 41.161 42.059 -0.124 0.000 0.914 252 L HN 0.459 nan 8.230 nan 0.000 0.439 253 A N 0.586 123.334 122.820 -0.120 0.000 1.865 253 A HA -0.242 4.077 4.320 -0.000 0.000 0.217 253 A C 2.156 179.718 177.584 -0.037 0.000 1.191 253 A CA 1.767 53.755 52.037 -0.082 0.000 0.623 253 A CB -0.804 18.152 19.000 -0.074 0.000 0.826 253 A HN 0.467 nan 8.150 nan 0.000 0.444 254 L N -1.911 119.257 121.223 -0.091 0.000 2.013 254 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 254 L C 2.668 179.632 176.870 0.157 0.000 1.073 254 L CA 1.938 56.755 54.840 -0.039 0.000 0.753 254 L CB -0.967 41.039 42.059 -0.088 0.000 0.890 254 L HN 0.518 nan 8.230 nan 0.000 0.432 255 Y N -1.091 119.183 120.300 -0.044 0.000 2.256 255 Y HA -0.304 4.245 4.550 -0.001 0.000 0.288 255 Y C 2.807 178.688 175.900 -0.033 0.000 1.155 255 Y CA 0.660 58.739 58.100 -0.035 0.000 1.203 255 Y CB -0.309 38.125 38.460 -0.042 0.000 0.980 255 Y HN 0.329 nan 8.280 nan 0.000 0.530 256 C N -0.246 119.126 119.300 0.121 0.000 2.467 256 C HA -0.099 4.361 4.460 -0.000 0.000 0.279 256 C C 2.414 177.419 174.990 0.026 0.000 1.347 256 C CA 0.579 59.622 59.018 0.042 0.000 1.748 256 C CB -0.736 27.001 27.740 -0.004 0.000 1.977 256 C HN 0.536 nan 8.230 nan 0.000 0.501 257 E N 1.094 121.329 120.200 0.059 0.000 2.058 257 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 257 E C 2.323 178.944 176.600 0.034 0.000 0.997 257 E CA 1.490 57.934 56.400 0.075 0.000 0.801 257 E CB -0.226 29.584 29.700 0.183 0.000 0.746 257 E HN 0.657 nan 8.360 nan 0.000 0.450 258 A N 0.448 123.302 122.820 0.056 0.000 2.019 258 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 258 A C 1.956 179.529 177.584 -0.019 0.000 1.164 258 A CA 1.278 53.329 52.037 0.023 0.000 0.644 258 A CB -0.233 18.779 19.000 0.020 0.000 0.805 258 A HN 0.178 nan 8.150 nan 0.000 0.449 259 M N -1.422 118.165 119.600 -0.022 0.000 2.371 259 M HA 0.207 4.687 4.480 -0.000 0.000 0.246 259 M C 1.144 177.419 176.300 -0.041 0.000 1.103 259 M CA 0.604 55.885 55.300 -0.033 0.000 1.010 259 M CB 0.491 33.072 32.600 -0.031 0.000 1.457 259 M HN 0.566 nan 8.290 nan 0.000 0.486 260 G N 2.817 111.579 108.800 -0.063 0.000 2.225 260 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.267 260 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.267 260 G C 0.016 174.879 174.900 -0.062 0.000 1.024 260 G CA 0.675 45.724 45.100 -0.084 0.000 0.784 260 G HN 0.638 nan 8.290 nan 0.000 0.507 261 I N -3.854 116.688 120.570 -0.047 0.000 2.910 261 I HA 0.686 4.856 4.170 -0.000 0.000 0.310 261 I C -0.076 176.025 176.117 -0.026 0.000 1.043 261 I CA -1.745 59.535 61.300 -0.034 0.000 1.053 261 I CB 1.747 39.735 38.000 -0.020 0.000 1.242 261 I HN -0.072 nan 8.210 nan 0.000 0.452 262 N N 2.735 121.433 118.700 -0.003 0.000 2.411 262 N HA 0.077 4.817 4.740 -0.000 0.000 0.259 262 N C 0.663 176.169 175.510 -0.006 0.000 1.103 262 N CA 0.000 53.072 53.050 0.037 0.000 0.954 262 N CB 1.624 40.169 38.487 0.096 0.000 1.085 262 N HN 0.724 nan 8.380 nan 0.000 0.485 263 V N 5.684 125.545 119.914 -0.088 0.000 2.392 263 V HA -0.261 3.859 4.120 -0.000 0.000 0.249 263 V C 0.983 176.905 176.094 -0.286 0.000 1.059 263 V CA 1.852 64.006 62.300 -0.242 0.000 1.051 263 V CB -0.654 30.943 31.823 -0.378 0.000 0.658 263 V HN 0.698 nan 8.190 nan 0.000 0.455 264 Y N 0.176 120.506 120.300 0.050 0.000 2.373 264 Y HA -0.073 4.476 4.550 -0.001 0.000 0.293 264 Y C 2.426 178.336 175.900 0.018 0.000 1.129 264 Y CA 1.399 59.528 58.100 0.048 0.000 1.226 264 Y CB -0.388 38.147 38.460 0.124 0.000 1.000 264 Y HN 0.351 nan 8.280 nan 0.000 0.549 265 D N -0.688 119.785 120.400 0.122 0.000 2.162 265 D HA -0.102 4.538 4.640 -0.000 0.000 0.203 265 D C 2.343 178.653 176.300 0.017 0.000 0.967 265 D CA 0.951 54.993 54.000 0.070 0.000 0.840 265 D CB -0.241 40.594 40.800 0.057 0.000 0.972 265 D HN 0.156 nan 8.370 nan 0.000 0.482 266 V N 1.336 121.242 119.914 -0.014 0.000 2.261 266 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 266 V C 2.621 178.681 176.094 -0.058 0.000 1.047 266 V CA 1.753 64.030 62.300 -0.038 0.000 1.015 266 V CB -0.499 31.295 31.823 -0.048 0.000 0.642 266 V HN 0.118 nan 8.190 nan 0.000 0.446 267 R N 0.147 120.591 120.500 -0.093 0.000 2.083 267 R HA -0.238 4.102 4.340 -0.000 0.000 0.237 267 R C 2.545 178.782 176.300 -0.106 0.000 1.137 267 R CA 2.415 58.433 56.100 -0.137 0.000 0.951 267 R CB -0.758 29.408 30.300 -0.223 0.000 0.851 267 R HN 0.615 nan 8.270 nan 0.000 0.434 268 T N -1.239 113.288 114.554 -0.045 0.000 2.746 268 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 268 T C 1.881 176.569 174.700 -0.019 0.000 1.039 268 T CA 1.681 63.769 62.100 -0.020 0.000 1.142 268 T CB -0.696 68.192 68.868 0.033 0.000 0.866 268 T HN 0.496 nan 8.240 nan 0.000 0.444 269 G N 1.081 109.873 108.800 -0.014 0.000 2.553 269 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 269 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 269 G C 1.742 176.627 174.900 -0.026 0.000 1.195 269 G CA 1.374 46.465 45.100 -0.015 0.000 0.779 269 G HN 0.499 nan 8.290 nan 0.000 0.577 270 V N 1.435 121.324 119.914 -0.042 0.000 2.282 270 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 270 V C 2.399 178.464 176.094 -0.048 0.000 1.057 270 V CA 2.451 64.722 62.300 -0.048 0.000 1.032 270 V CB -0.567 31.216 31.823 -0.067 0.000 0.645 270 V HN 0.565 nan 8.190 nan 0.000 0.447 271 D N -0.094 120.269 120.400 -0.062 0.000 2.378 271 D HA -0.120 4.520 4.640 -0.000 0.000 0.222 271 D C 1.992 178.273 176.300 -0.031 0.000 0.980 271 D CA 0.914 54.878 54.000 -0.060 0.000 0.907 271 D CB -0.087 40.659 40.800 -0.090 0.000 0.899 271 D HN 0.547 nan 8.370 nan 0.000 0.527 272 S N -0.798 114.889 115.700 -0.022 0.000 2.603 272 S HA 0.053 4.523 4.470 -0.000 0.000 0.220 272 S C 0.546 175.141 174.600 -0.008 0.000 0.967 272 S CA -0.414 57.781 58.200 -0.009 0.000 0.920 272 S CB -0.374 62.823 63.200 -0.005 0.000 0.773 272 S HN 0.175 nan 8.310 nan 0.000 0.529 273 L N 2.067 123.282 121.223 -0.013 0.000 2.261 273 L HA 0.522 4.862 4.340 -0.000 0.000 0.289 273 L C -0.215 176.651 176.870 -0.007 0.000 1.059 273 L CA -0.520 54.314 54.840 -0.009 0.000 0.816 273 L CB 1.038 43.090 42.059 -0.012 0.000 1.191 273 L HN -0.059 nan 8.230 nan 0.000 0.431 274 K N 1.929 122.328 120.400 -0.002 0.000 2.159 274 K HA 0.567 4.887 4.320 -0.000 0.000 0.266 274 K C 0.359 176.961 176.600 0.003 0.000 0.975 274 K CA -0.284 56.004 56.287 0.001 0.000 0.865 274 K CB 1.804 34.306 32.500 0.004 0.000 1.087 274 K HN 0.521 nan 8.250 nan 0.000 0.446 275 G N 0.995 109.798 108.800 0.004 0.000 2.553 275 G HA2 0.142 4.102 3.960 -0.000 0.000 0.278 275 G HA3 0.142 4.102 3.960 -0.000 0.000 0.278 275 G C -0.624 174.280 174.900 0.007 0.000 1.349 275 G CA -0.184 44.919 45.100 0.006 0.000 1.037 275 G HN 0.589 nan 8.290 nan 0.000 0.508 276 E N -1.308 118.897 120.200 0.007 0.000 2.222 276 E HA 0.459 4.809 4.350 -0.000 0.000 0.267 276 E C 0.815 177.420 176.600 0.010 0.000 0.963 276 E CA -0.008 56.398 56.400 0.009 0.000 0.837 276 E CB 0.969 30.674 29.700 0.009 0.000 1.183 276 E HN 1.503 nan 8.360 nan 0.000 0.403 277 G N 2.078 110.885 108.800 0.012 0.000 2.189 277 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 277 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 277 G C 0.640 175.547 174.900 0.012 0.000 0.975 277 G CA 0.672 45.781 45.100 0.014 0.000 0.644 277 G HN 0.489 nan 8.290 nan 0.000 0.537 278 I N 1.276 121.851 120.570 0.009 0.000 3.136 278 I HA 0.196 4.366 4.170 -0.000 0.000 0.262 278 I C 1.700 177.818 176.117 0.002 0.000 1.132 278 I CA 1.393 62.696 61.300 0.005 0.000 1.450 278 I CB -0.261 37.741 38.000 0.003 0.000 1.315 278 I HN 0.193 nan 8.210 nan 0.000 0.460 279 T N 1.015 115.570 114.554 0.002 0.000 2.923 279 T HA -0.124 4.226 4.350 -0.000 0.000 0.309 279 T C 0.981 175.678 174.700 -0.005 0.000 1.059 279 T CA 0.189 62.287 62.100 -0.003 0.000 1.133 279 T CB 0.359 69.227 68.868 0.000 0.000 1.053 279 T HN 0.137 nan 8.240 nan 0.000 0.530 280 R N 1.792 122.282 120.500 -0.017 0.000 2.300 280 R HA 0.418 4.758 4.340 -0.000 0.000 0.199 280 R C 1.561 177.844 176.300 -0.027 0.000 0.920 280 R CA 0.593 56.679 56.100 -0.023 0.000 1.046 280 R CB -0.302 29.976 30.300 -0.036 0.000 0.984 280 R HN 0.940 nan 8.270 nan 0.000 0.493 281 A N 0.429 123.234 122.820 -0.025 0.000 2.511 281 A HA -0.154 4.166 4.320 -0.000 0.000 0.297 281 A C 0.096 177.651 177.584 -0.049 0.000 1.476 281 A CA 0.473 52.497 52.037 -0.023 0.000 0.757 281 A CB -1.999 17.005 19.000 0.005 0.000 1.072 281 A HN 0.056 nan 8.150 nan 0.000 0.413 282 V N 1.886 121.741 119.914 -0.097 0.000 2.479 282 V HA 0.222 4.342 4.120 -0.000 0.000 0.281 282 V C 1.408 177.356 176.094 -0.244 0.000 1.031 282 V CA 0.369 62.575 62.300 -0.157 0.000 1.038 282 V CB 0.454 32.160 31.823 -0.195 0.000 0.981 282 V HN 0.531 nan 8.190 nan 0.000 0.478 283 L N 3.775 124.893 121.223 -0.176 0.000 2.895 283 L HA 0.454 4.794 4.340 -0.000 0.000 0.168 283 L C -0.374 176.302 176.870 -0.323 0.000 1.252 283 L CA -0.382 54.368 54.840 -0.151 0.000 1.305 283 L CB 0.413 42.501 42.059 0.049 0.000 2.208 283 L HN 0.504 nan 8.230 nan 0.000 0.503 284 W N -0.168 121.164 121.300 0.054 0.000 2.702 284 W HA 0.435 5.097 4.660 0.003 0.000 0.331 284 W C -2.190 174.365 176.519 0.060 0.000 1.049 284 W CA -1.400 55.998 57.345 0.089 0.000 1.230 284 W CB 0.781 30.312 29.460 0.120 0.000 1.408 284 W HN 0.115 nan 8.180 nan 0.000 0.492 285 P HA 0.713 nan 4.420 nan 0.000 0.278 285 P C -0.184 177.228 177.300 0.186 0.000 1.266 285 P CA -0.008 63.176 63.100 0.140 0.000 0.807 285 P CB 1.963 33.683 31.700 0.034 0.000 1.094 286 G N -1.643 107.230 108.800 0.122 0.000 2.430 286 G HA2 0.394 4.354 3.960 -0.000 0.000 0.300 286 G HA3 0.394 4.354 3.960 -0.000 0.000 0.300 286 G C 0.050 174.987 174.900 0.062 0.000 1.330 286 G CA -0.034 45.128 45.100 0.104 0.000 0.813 286 G HN 0.338 nan 8.290 nan 0.000 0.487 287 A N -1.355 121.483 122.820 0.029 0.000 2.209 287 A HA 0.575 4.895 4.320 -0.000 0.000 0.212 287 A C 1.436 179.009 177.584 -0.018 0.000 1.158 287 A CA 2.104 54.137 52.037 -0.006 0.000 0.742 287 A CB -0.673 18.290 19.000 -0.062 0.000 0.790 287 A HN 2.569 nan 8.150 nan 0.000 0.472 288 G N -2.940 105.850 108.800 -0.017 0.000 2.368 288 G HA2 0.363 4.323 3.960 -0.000 0.000 0.302 288 G HA3 0.363 4.323 3.960 -0.000 0.000 0.302 288 G C -1.389 173.459 174.900 -0.087 0.000 1.329 288 G CA -0.231 44.841 45.100 -0.047 0.000 0.935 288 G HN 0.551 nan 8.290 nan 0.000 0.590 289 V N 0.440 120.274 119.914 -0.133 0.000 2.513 289 V HA 0.863 4.983 4.120 -0.000 0.000 0.299 289 V C 1.007 176.851 176.094 -0.417 0.000 1.035 289 V CA 0.476 62.662 62.300 -0.190 0.000 0.889 289 V CB 1.297 33.064 31.823 -0.094 0.000 0.988 289 V HN 1.550 nan 8.190 nan 0.000 0.440 290 G N 1.615 109.934 108.800 -0.802 0.000 2.932 290 G HA2 0.860 4.820 3.960 -0.000 0.000 0.283 290 G HA3 0.860 4.820 3.960 -0.000 0.000 0.283 290 G C -0.071 174.400 174.900 -0.716 0.000 1.336 290 G CA -0.230 44.072 45.100 -1.329 0.000 1.056 290 G HN 1.528 nan 8.290 nan 0.000 0.522 291 G N -1.806 106.740 108.800 -0.424 0.000 2.549 291 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.404 291 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.404 291 G C 0.174 174.989 174.900 -0.143 0.000 1.292 291 G CA 0.287 45.357 45.100 -0.050 0.000 0.935 291 G HN 0.787 nan 8.290 nan 0.000 0.512 292 H N -0.757 118.381 119.070 0.114 0.000 2.334 292 H HA 0.099 4.654 4.556 -0.000 0.000 0.315 292 H C 2.923 178.314 175.328 0.105 0.000 1.056 292 H CA 1.650 57.761 56.048 0.105 0.000 1.418 292 H CB -0.753 29.082 29.762 0.120 0.000 1.464 292 H HN 0.610 nan 8.280 nan 0.000 0.587 293 C N 1.500 120.956 119.300 0.259 0.000 2.359 293 C HA -0.192 4.268 4.460 -0.000 0.000 0.279 293 C C 3.094 178.157 174.990 0.122 0.000 1.191 293 C CA 1.098 60.225 59.018 0.181 0.000 1.764 293 C CB -1.325 26.506 27.740 0.151 0.000 2.026 293 C HN 0.426 nan 8.230 nan 0.000 0.442 294 L N 0.624 121.900 121.223 0.088 0.000 2.137 294 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 294 L C 2.620 179.498 176.870 0.014 0.000 1.085 294 L CA 2.271 57.137 54.840 0.042 0.000 0.760 294 L CB -0.712 41.368 42.059 0.034 0.000 0.893 294 L HN 0.695 nan 8.230 nan 0.000 0.434 295 T N -5.353 109.219 114.554 0.031 0.000 3.065 295 T HA 0.014 4.364 4.350 -0.000 0.000 0.252 295 T C 1.625 176.379 174.700 0.091 0.000 1.099 295 T CA 0.242 62.364 62.100 0.037 0.000 1.063 295 T CB 0.334 69.217 68.868 0.026 0.000 0.948 295 T HN 0.173 nan 8.240 nan 0.000 0.506 296 K N -0.026 120.433 120.400 0.099 0.000 2.474 296 K HA 0.234 4.554 4.320 -0.000 0.000 0.202 296 K C 1.225 177.825 176.600 -0.001 0.000 1.248 296 K CA 0.119 56.483 56.287 0.127 0.000 0.946 296 K CB 0.569 33.187 32.500 0.197 0.000 1.102 296 K HN -0.015 nan 8.250 nan 0.000 0.541 297 D N 0.317 120.770 120.400 0.087 0.000 2.178 297 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 297 D C 1.856 178.145 176.300 -0.019 0.000 0.980 297 D CA 1.648 55.749 54.000 0.167 0.000 0.842 297 D CB -0.129 40.743 40.800 0.120 0.000 0.948 297 D HN 0.283 nan 8.370 nan 0.000 0.472 298 T N -1.711 112.712 114.554 -0.217 0.000 2.995 298 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 298 T C 1.778 176.314 174.700 -0.274 0.000 1.091 298 T CA 0.604 62.550 62.100 -0.257 0.000 1.128 298 T CB -0.398 68.308 68.868 -0.270 0.000 0.891 298 T HN 0.059 nan 8.240 nan 0.000 0.492 299 Y N 1.288 121.534 120.300 -0.089 0.000 2.242 299 Y HA 0.050 4.600 4.550 0.000 0.000 0.291 299 Y C 2.506 178.332 175.900 -0.123 0.000 1.137 299 Y CA 1.048 59.067 58.100 -0.134 0.000 1.181 299 Y CB -1.093 37.245 38.460 -0.202 0.000 0.989 299 Y HN 0.515 nan 8.280 nan 0.000 0.527 300 H N -0.886 118.274 119.070 0.149 0.000 2.353 300 H HA -0.150 4.405 4.556 -0.000 0.000 0.300 300 H C 2.271 177.639 175.328 0.066 0.000 1.090 300 H CA 1.402 57.511 56.048 0.101 0.000 1.327 300 H CB -0.275 29.539 29.762 0.087 0.000 1.383 300 H HN 0.227 nan 8.280 nan 0.000 0.508 301 L N 0.644 121.950 121.223 0.138 0.000 2.017 301 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 301 L C 2.347 179.275 176.870 0.097 0.000 1.073 301 L CA 1.195 56.090 54.840 0.092 0.000 0.745 301 L CB -0.197 41.891 42.059 0.048 0.000 0.894 301 L HN 0.394 nan 8.230 nan 0.000 0.432 302 E N -0.174 120.083 120.200 0.094 0.000 2.033 302 E HA -0.300 4.050 4.350 -0.000 0.000 0.199 302 E C 2.082 178.732 176.600 0.082 0.000 1.011 302 E CA 1.345 57.796 56.400 0.085 0.000 0.815 302 E CB -0.462 29.301 29.700 0.105 0.000 0.755 302 E HN 0.380 nan 8.360 nan 0.000 0.451 303 R N 0.409 120.972 120.500 0.105 0.000 2.083 303 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 303 R C 2.460 178.808 176.300 0.081 0.000 1.137 303 R CA 1.696 57.853 56.100 0.094 0.000 0.951 303 R CB -0.697 29.675 30.300 0.120 0.000 0.851 303 R HN 0.258 nan 8.270 nan 0.000 0.434 304 G N 0.209 109.065 108.800 0.094 0.000 2.469 304 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.220 304 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.220 304 G C 1.349 176.281 174.900 0.053 0.000 1.136 304 G CA 0.887 46.030 45.100 0.072 0.000 0.759 304 G HN 0.326 nan 8.290 nan 0.000 0.562 305 V N -0.204 119.742 119.914 0.054 0.000 2.913 305 V HA 0.043 4.163 4.120 -0.000 0.000 0.260 305 V C 2.172 178.286 176.094 0.033 0.000 1.098 305 V CA 1.917 64.243 62.300 0.042 0.000 1.121 305 V CB -0.190 31.654 31.823 0.036 0.000 0.714 305 V HN 0.399 nan 8.190 nan 0.000 0.487 306 K N -1.214 119.206 120.400 0.034 0.000 2.402 306 K HA 0.251 4.571 4.320 -0.000 0.000 0.204 306 K C 1.389 178.006 176.600 0.027 0.000 1.056 306 K CA 0.059 56.363 56.287 0.028 0.000 1.069 306 K CB 0.652 33.168 32.500 0.027 0.000 0.888 306 K HN 0.360 nan 8.250 nan 0.000 0.546 307 I N 0.896 121.484 120.570 0.030 0.000 2.480 307 I HA -0.000 4.170 4.170 -0.000 0.000 0.251 307 I C 1.159 177.287 176.117 0.018 0.000 1.124 307 I CA 0.570 61.885 61.300 0.026 0.000 1.444 307 I CB 0.060 38.077 38.000 0.029 0.000 1.098 307 I HN 0.033 nan 8.210 nan 0.000 0.428 308 G N 0.132 108.943 108.800 0.018 0.000 2.588 308 G HA2 0.215 4.175 3.960 -0.000 0.000 0.278 308 G HA3 0.215 4.175 3.960 -0.000 0.000 0.278 308 G C -0.402 174.506 174.900 0.014 0.000 1.307 308 G CA -0.533 44.575 45.100 0.014 0.000 1.016 308 G HN 0.083 nan 8.290 nan 0.000 0.503 309 R N -0.109 120.398 120.500 0.011 0.000 2.229 309 R HA 0.535 4.875 4.340 -0.000 0.000 0.328 309 R C -0.335 175.973 176.300 0.014 0.000 1.009 309 R CA 0.320 56.427 56.100 0.011 0.000 0.864 309 R CB 0.672 30.977 30.300 0.008 0.000 1.085 309 R HN 0.935 nan 8.270 nan 0.000 0.453 310 G N 3.156 111.966 108.800 0.016 0.000 2.146 310 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.261 310 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.261 310 G C -1.472 173.442 174.900 0.023 0.000 1.745 310 G CA -0.826 44.286 45.100 0.020 0.000 0.905 310 G HN 0.528 nan 8.290 nan 0.000 0.746 311 E N 1.890 122.105 120.200 0.025 0.000 2.229 311 E HA 0.404 4.754 4.350 -0.000 0.000 0.283 311 E C -0.591 176.032 176.600 0.039 0.000 1.030 311 E CA -0.769 55.649 56.400 0.029 0.000 0.836 311 E CB 1.304 31.020 29.700 0.026 0.000 1.068 311 E HN 0.458 nan 8.360 nan 0.000 0.401 312 L N 5.173 126.423 121.223 0.044 0.000 2.281 312 L HA 0.255 4.594 4.340 -0.000 0.000 0.285 312 L C -0.693 176.229 176.870 0.086 0.000 1.074 312 L CA -0.059 54.818 54.840 0.062 0.000 0.817 312 L CB 1.132 43.219 42.059 0.047 0.000 1.168 312 L HN 0.406 nan 8.230 nan 0.000 0.434 313 D N 4.064 124.524 120.400 0.100 0.000 2.329 313 D HA 0.327 4.967 4.640 -0.000 0.000 0.232 313 D C -1.713 174.687 176.300 0.165 0.000 1.088 313 D CA 0.297 54.355 54.000 0.098 0.000 0.835 313 D CB 0.378 41.214 40.800 0.060 0.000 1.078 313 D HN 0.458 nan 8.370 nan 0.000 0.495 314 Y N 3.093 123.391 120.300 -0.003 0.000 2.552 314 Y HA 0.421 4.971 4.550 -0.000 0.000 0.337 314 Y C -2.303 173.587 175.900 -0.016 0.000 1.094 314 Y CA -1.678 56.414 58.100 -0.013 0.000 1.028 314 Y CB 1.478 39.929 38.460 -0.015 0.000 1.321 314 Y HN 0.286 nan 8.280 nan 0.000 0.456 315 P HA 0.147 nan 4.420 nan 0.000 0.274 315 P C -1.109 176.146 177.300 -0.075 0.000 1.231 315 P CA -0.336 62.610 63.100 -0.258 0.000 0.790 315 P CB 0.908 32.415 31.700 -0.322 0.000 0.951 316 E N 0.518 120.699 120.200 -0.032 0.000 2.465 316 E HA 0.285 4.635 4.350 -0.000 0.000 0.260 316 E C 1.267 177.878 176.600 0.018 0.000 0.980 316 E CA 1.426 57.832 56.400 0.010 0.000 0.927 316 E CB -0.373 29.326 29.700 -0.003 0.000 0.934 316 E HN 0.752 nan 8.360 nan 0.000 0.459 317 G N 3.470 112.294 108.800 0.041 0.000 3.757 317 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 317 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 317 G C 0.892 175.832 174.900 0.068 0.000 1.411 317 G CA 1.267 46.390 45.100 0.038 0.000 0.896 317 G HN 1.863 nan 8.290 nan 0.000 0.581 318 A N -0.728 122.147 122.820 0.091 0.000 5.297 318 A HA 0.281 4.601 4.320 -0.000 0.000 0.271 318 A C 0.367 178.033 177.584 0.138 0.000 2.188 318 A CA 1.951 54.114 52.037 0.208 0.000 0.715 318 A CB -1.527 17.648 19.000 0.292 0.000 1.105 318 A HN 2.622 nan 8.150 nan 0.000 0.341 319 D N -1.738 118.722 120.400 0.099 0.000 5.791 319 D HA 0.141 4.781 4.640 -0.000 0.000 0.232 319 D C -0.215 176.097 176.300 0.020 0.000 1.696 319 D CA 1.660 55.678 54.000 0.029 0.000 1.436 319 D CB -0.906 39.904 40.800 0.017 0.000 0.597 319 D HN 1.810 nan 8.370 nan 0.000 0.322 320 S N 2.078 117.697 115.700 -0.134 0.000 2.546 320 S HA 0.100 4.570 4.470 -0.000 0.000 0.290 320 S C 2.044 176.518 174.600 -0.211 0.000 1.290 320 S CA -0.354 57.678 58.200 -0.281 0.000 1.069 320 S CB 0.353 63.386 63.200 -0.278 0.000 0.846 320 S HN 0.405 nan 8.310 nan 0.000 0.495 321 I N 4.549 124.941 120.570 -0.297 0.000 2.236 321 I HA -0.253 3.917 4.170 -0.000 0.000 0.249 321 I C 1.336 177.321 176.117 -0.219 0.000 1.102 321 I CA 1.672 62.803 61.300 -0.282 0.000 1.365 321 I CB -0.436 37.352 38.000 -0.353 0.000 1.051 321 I HN 0.764 nan 8.210 nan 0.000 0.420 322 Y N -0.541 119.712 120.300 -0.078 0.000 2.286 322 Y HA -0.082 4.467 4.550 -0.001 0.000 0.293 322 Y C 2.502 178.330 175.900 -0.121 0.000 1.124 322 Y CA 0.406 58.441 58.100 -0.108 0.000 1.178 322 Y CB -1.395 37.004 38.460 -0.102 0.000 1.010 322 Y HN -0.107 nan 8.280 nan 0.000 0.536 323 V N 0.925 120.846 119.914 0.012 0.000 2.392 323 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 323 V C 2.317 178.414 176.094 0.006 0.000 1.059 323 V CA 2.027 64.325 62.300 -0.004 0.000 1.051 323 V CB -0.789 31.046 31.823 0.020 0.000 0.658 323 V HN 0.536 nan 8.190 nan 0.000 0.455 324 L N -0.158 121.056 121.223 -0.015 0.000 2.418 324 L HA 0.216 4.556 4.340 -0.000 0.000 0.218 324 L C 2.310 179.167 176.870 -0.021 0.000 1.125 324 L CA 1.519 56.348 54.840 -0.018 0.000 0.835 324 L CB -0.501 41.539 42.059 -0.032 0.000 0.953 324 L HN 0.135 nan 8.230 nan 0.000 0.454 325 A N 0.586 123.397 122.820 -0.015 0.000 1.877 325 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 325 A C 2.285 179.866 177.584 -0.005 0.000 1.186 325 A CA 1.342 53.373 52.037 -0.011 0.000 0.620 325 A CB -0.505 18.499 19.000 0.006 0.000 0.822 325 A HN 0.428 nan 8.150 nan 0.000 0.443 326 R N 0.132 120.626 120.500 -0.010 0.000 2.127 326 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 326 R C 1.856 178.187 176.300 0.052 0.000 1.134 326 R CA 1.734 57.837 56.100 0.007 0.000 0.975 326 R CB -0.546 29.744 30.300 -0.015 0.000 0.865 326 R HN 0.649 nan 8.270 nan 0.000 0.447 327 K N -0.255 120.173 120.400 0.047 0.000 2.186 327 K HA 0.026 4.346 4.320 -0.000 0.000 0.202 327 K C 2.096 178.736 176.600 0.067 0.000 1.052 327 K CA 0.588 56.910 56.287 0.058 0.000 0.965 327 K CB 0.016 32.534 32.500 0.030 0.000 0.746 327 K HN -0.102 nan 8.250 nan 0.000 0.457 328 V N 2.424 122.357 119.914 0.033 0.000 2.237 328 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 328 V C 1.763 177.923 176.094 0.111 0.000 1.046 328 V CA 1.876 64.203 62.300 0.046 0.000 1.007 328 V CB -0.519 31.293 31.823 -0.019 0.000 0.638 328 V HN 0.339 nan 8.190 nan 0.000 0.445 329 N N 0.300 119.036 118.700 0.060 0.000 2.149 329 N HA -0.170 4.569 4.740 -0.000 0.000 0.188 329 N C 1.487 177.033 175.510 0.061 0.000 1.019 329 N CA 1.563 54.642 53.050 0.048 0.000 0.857 329 N CB -0.548 37.947 38.487 0.014 0.000 0.997 329 N HN 0.480 nan 8.380 nan 0.000 0.426 330 D N -0.395 120.055 120.400 0.083 0.000 2.264 330 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 330 D C 1.454 177.841 176.300 0.146 0.000 0.966 330 D CA 0.261 54.314 54.000 0.089 0.000 0.864 330 D CB -0.229 40.627 40.800 0.095 0.000 0.933 330 D HN 0.226 nan 8.370 nan 0.000 0.499 331 F N 0.863 120.825 119.950 0.020 0.000 2.416 331 F HA -0.037 4.490 4.527 -0.001 0.000 0.296 331 F C 1.950 177.798 175.800 0.080 0.000 1.099 331 F CA 0.544 58.569 58.000 0.042 0.000 1.427 331 F CB -0.029 38.989 39.000 0.029 0.000 1.079 331 F HN -0.202 nan 8.300 nan 0.000 0.536 332 M N 0.716 120.309 119.600 -0.011 0.000 2.149 332 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 332 M C -0.498 175.753 176.300 -0.082 0.000 1.064 332 M CA 1.429 56.692 55.300 -0.062 0.000 1.102 332 M CB -2.650 29.965 32.600 0.024 0.000 1.369 332 M HN 0.015 nan 8.290 nan 0.000 0.408 333 P HA -0.102 nan 4.420 nan 0.000 0.215 333 P C 1.396 178.687 177.300 -0.014 0.000 1.153 333 P CA 2.104 65.221 63.100 0.030 0.000 0.853 333 P CB -0.172 31.546 31.700 0.029 0.000 0.788 334 A N -1.033 121.671 122.820 -0.193 0.000 1.972 334 A HA -0.248 4.071 4.320 -0.000 0.000 0.219 334 A C 2.227 179.616 177.584 -0.326 0.000 1.169 334 A CA 1.958 53.851 52.037 -0.240 0.000 0.635 334 A CB -1.775 17.095 19.000 -0.217 0.000 0.810 334 A HN 0.229 nan 8.150 nan 0.000 0.446 335 H N -1.017 117.615 119.070 -0.730 0.000 2.389 335 H HA -0.025 4.531 4.556 0.000 0.000 0.299 335 H C 1.970 177.215 175.328 -0.138 0.000 1.081 335 H CA 1.918 57.682 56.048 -0.474 0.000 1.345 335 H CB -0.126 29.371 29.762 -0.441 0.000 1.393 335 H HN 0.277 nan 8.280 nan 0.000 0.520 336 M N -0.672 118.862 119.600 -0.111 0.000 2.067 336 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 336 M C 2.036 178.402 176.300 0.109 0.000 1.069 336 M CA 1.534 56.830 55.300 -0.006 0.000 1.117 336 M CB -1.146 31.529 32.600 0.126 0.000 1.334 336 M HN 0.413 nan 8.290 nan 0.000 0.407 337 Y N 2.295 122.622 120.300 0.046 0.000 2.081 337 Y HA -0.314 4.235 4.550 -0.000 0.000 0.280 337 Y C 2.096 177.909 175.900 -0.146 0.000 1.163 337 Y CA 2.061 60.069 58.100 -0.152 0.000 1.135 337 Y CB -0.615 37.655 38.460 -0.316 0.000 0.970 337 Y HN 0.354 nan 8.280 nan 0.000 0.498 338 N N 0.379 118.972 118.700 -0.178 0.000 2.205 338 N HA -0.196 4.543 4.740 -0.000 0.000 0.186 338 N C 1.934 177.270 175.510 -0.289 0.000 1.015 338 N CA 1.718 54.630 53.050 -0.230 0.000 0.862 338 N CB -0.547 37.901 38.487 -0.065 0.000 0.986 338 N HN 0.443 nan 8.380 nan 0.000 0.429 339 L N 0.196 121.213 121.223 -0.344 0.000 2.109 339 L HA -0.100 4.240 4.340 -0.000 0.000 0.207 339 L C 2.619 179.328 176.870 -0.270 0.000 1.086 339 L CA 1.241 55.880 54.840 -0.334 0.000 0.760 339 L CB -0.624 41.181 42.059 -0.422 0.000 0.910 339 L HN 0.242 nan 8.230 nan 0.000 0.437 340 T N -1.214 113.193 114.554 -0.245 0.000 2.812 340 T HA -0.120 4.230 4.350 -0.000 0.000 0.264 340 T C 1.905 176.455 174.700 -0.250 0.000 1.042 340 T CA 1.321 63.304 62.100 -0.195 0.000 1.140 340 T CB -0.133 68.703 68.868 -0.055 0.000 0.870 340 T HN 0.044 nan 8.240 nan 0.000 0.445 341 V N 2.263 121.935 119.914 -0.404 0.000 2.252 341 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 341 V C 3.215 179.182 176.094 -0.211 0.000 1.056 341 V CA 2.081 64.172 62.300 -0.349 0.000 1.022 341 V CB -1.531 30.008 31.823 -0.473 0.000 0.641 341 V HN 0.695 nan 8.190 nan 0.000 0.445 342 A N -0.234 122.468 122.820 -0.197 0.000 1.908 342 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 342 A C 2.397 179.904 177.584 -0.128 0.000 1.181 342 A CA 2.318 54.276 52.037 -0.133 0.000 0.627 342 A CB -0.787 18.149 19.000 -0.107 0.000 0.818 342 A HN 0.620 nan 8.150 nan 0.000 0.445 343 A N -0.465 122.267 122.820 -0.148 0.000 1.930 343 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 343 A C 2.125 179.645 177.584 -0.107 0.000 1.175 343 A CA 1.426 53.386 52.037 -0.129 0.000 0.627 343 A CB -0.543 18.384 19.000 -0.122 0.000 0.815 343 A HN 0.467 nan 8.150 nan 0.000 0.443 344 L N 0.010 121.173 121.223 -0.101 0.000 2.093 344 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 344 L C 2.514 179.346 176.870 -0.064 0.000 1.085 344 L CA 1.659 56.455 54.840 -0.074 0.000 0.755 344 L CB -0.811 41.204 42.059 -0.073 0.000 0.904 344 L HN 0.624 nan 8.230 nan 0.000 0.435 345 E N 0.553 120.709 120.200 -0.075 0.000 2.136 345 E HA -0.310 4.040 4.350 -0.000 0.000 0.202 345 E C 2.116 178.689 176.600 -0.045 0.000 1.019 345 E CA 1.532 57.897 56.400 -0.058 0.000 0.819 345 E CB -0.487 29.175 29.700 -0.063 0.000 0.739 345 E HN 0.398 nan 8.360 nan 0.000 0.458 346 R N 0.225 120.690 120.500 -0.059 0.000 2.200 346 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 346 R C 1.857 178.184 176.300 0.044 0.000 1.127 346 R CA 1.149 57.231 56.100 -0.030 0.000 0.989 346 R CB -0.213 30.022 30.300 -0.107 0.000 0.869 346 R HN 0.309 nan 8.270 nan 0.000 0.459 347 L N -1.142 120.092 121.223 0.018 0.000 2.640 347 L HA 0.268 4.608 4.340 -0.000 0.000 0.230 347 L C 1.053 177.931 176.870 0.014 0.000 1.123 347 L CA 0.143 55.009 54.840 0.043 0.000 0.900 347 L CB 0.557 42.632 42.059 0.027 0.000 1.146 347 L HN 0.335 nan 8.230 nan 0.000 0.484 348 G N 1.098 109.897 108.800 -0.002 0.000 2.153 348 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 348 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 348 G C 0.171 175.063 174.900 -0.013 0.000 0.994 348 G CA 0.308 45.403 45.100 -0.009 0.000 0.698 348 G HN 0.389 nan 8.290 nan 0.000 0.521 349 K N -0.058 120.331 120.400 -0.018 0.000 2.095 349 K HA 0.709 5.029 4.320 -0.000 0.000 0.252 349 K C 0.158 176.739 176.600 -0.031 0.000 0.977 349 K CA -0.694 55.579 56.287 -0.022 0.000 0.900 349 K CB 1.114 33.601 32.500 -0.022 0.000 1.060 349 K HN 0.028 nan 8.250 nan 0.000 0.449 350 K N 1.521 121.905 120.400 -0.027 0.000 2.385 350 K HA 0.217 4.537 4.320 -0.000 0.000 0.248 350 K C 0.562 177.146 176.600 -0.026 0.000 0.955 350 K CA -0.869 55.400 56.287 -0.030 0.000 0.816 350 K CB 1.563 34.053 32.500 -0.016 0.000 1.250 350 K HN 0.463 nan 8.250 nan 0.000 0.434 351 M N 1.093 120.673 119.600 -0.033 0.000 2.108 351 M HA -0.188 4.292 4.480 -0.000 0.000 0.257 351 M C 0.253 176.560 176.300 0.013 0.000 1.071 351 M CA 1.726 57.020 55.300 -0.011 0.000 1.093 351 M CB -0.484 32.128 32.600 0.020 0.000 1.345 351 M HN 0.693 nan 8.290 nan 0.000 0.403 352 D N -0.289 120.120 120.400 0.015 0.000 2.450 352 D HA 0.316 4.956 4.640 -0.000 0.000 0.247 352 D C 1.227 177.531 176.300 0.008 0.000 1.162 352 D CA 1.624 55.633 54.000 0.015 0.000 0.879 352 D CB 0.106 40.914 40.800 0.013 0.000 1.163 352 D HN 0.600 nan 8.370 nan 0.000 0.472 353 G N 2.710 111.516 108.800 0.009 0.000 2.212 353 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.266 353 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.266 353 G C 0.369 175.272 174.900 0.005 0.000 0.978 353 G CA 0.554 45.657 45.100 0.006 0.000 0.632 353 G HN 0.635 nan 8.290 nan 0.000 0.537 354 S N 0.166 115.870 115.700 0.007 0.000 2.586 354 S HA 0.539 5.009 4.470 -0.000 0.000 0.274 354 S C 0.166 174.776 174.600 0.016 0.000 1.281 354 S CA -0.199 58.005 58.200 0.006 0.000 1.035 354 S CB 1.999 65.200 63.200 0.001 0.000 0.962 354 S HN 0.615 nan 8.310 nan 0.000 0.512 355 K N 1.886 122.296 120.400 0.016 0.000 2.211 355 K HA 0.467 4.787 4.320 -0.000 0.000 0.275 355 K C -1.388 175.235 176.600 0.038 0.000 1.024 355 K CA -0.516 55.786 56.287 0.026 0.000 0.887 355 K CB 0.618 33.128 32.500 0.018 0.000 1.084 355 K HN 0.391 nan 8.250 nan 0.000 0.463 356 V N 3.376 123.326 119.914 0.060 0.000 2.398 356 V HA 0.466 4.586 4.120 -0.000 0.000 0.286 356 V C -0.235 175.909 176.094 0.083 0.000 1.026 356 V CA -0.938 61.414 62.300 0.086 0.000 0.868 356 V CB 1.195 33.105 31.823 0.145 0.000 0.982 356 V HN 0.914 nan 8.190 nan 0.000 0.443 357 A N 6.753 129.612 122.820 0.065 0.000 2.280 357 A HA 0.664 4.984 4.320 -0.000 0.000 0.320 357 A C 0.015 177.616 177.584 0.030 0.000 1.366 357 A CA -0.495 51.574 52.037 0.053 0.000 0.938 357 A CB 0.129 19.153 19.000 0.039 0.000 1.157 357 A HN 0.836 nan 8.150 nan 0.000 0.536 358 M N 3.334 122.971 119.600 0.061 0.000 2.266 358 M HA 0.138 4.618 4.480 -0.000 0.000 0.340 358 M C -0.971 175.351 176.300 0.036 0.000 1.486 358 M CA -0.217 55.107 55.300 0.040 0.000 1.209 358 M CB 0.163 32.844 32.600 0.137 0.000 1.714 358 M HN 0.438 nan 8.290 nan 0.000 0.459 359 L N 4.038 125.184 121.223 -0.130 0.000 2.302 359 L HA 0.520 4.859 4.340 -0.000 0.000 0.285 359 L C 0.536 177.359 176.870 -0.079 0.000 1.090 359 L CA 0.219 54.857 54.840 -0.337 0.000 0.866 359 L CB 0.362 41.831 42.059 -0.983 0.000 1.244 359 L HN 0.887 nan 8.230 nan 0.000 0.435 360 G N 2.321 111.359 108.800 0.398 0.000 3.393 360 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.676 360 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.676 360 G C -0.309 174.796 174.900 0.342 0.000 1.224 360 G CA -0.253 45.124 45.100 0.462 0.000 1.109 360 G HN 0.616 nan 8.290 nan 0.000 0.519 361 W N 2.861 124.259 121.300 0.163 0.000 2.952 361 W HA 0.556 5.216 4.660 0.000 0.000 0.251 361 W C 1.253 177.833 176.519 0.101 0.000 1.144 361 W CA 0.982 58.367 57.345 0.066 0.000 1.551 361 W CB 0.412 29.875 29.460 0.004 0.000 0.978 361 W HN 1.138 nan 8.180 nan 0.000 0.648 362 A N 1.154 124.136 122.820 0.270 0.000 2.409 362 A HA 0.165 4.485 4.320 -0.000 0.000 0.246 362 A C 0.104 177.693 177.584 0.008 0.000 1.099 362 A CA 0.757 52.849 52.037 0.091 0.000 0.789 362 A CB -0.310 18.775 19.000 0.142 0.000 1.053 362 A HN 0.439 nan 8.150 nan 0.000 0.503 363 F N -1.890 118.013 119.950 -0.078 0.000 2.728 363 F HA 0.485 5.012 4.527 -0.001 0.000 0.314 363 F C -0.257 175.488 175.800 -0.092 0.000 1.094 363 F CA -0.770 57.161 58.000 -0.115 0.000 1.217 363 F CB -0.267 38.659 39.000 -0.123 0.000 1.056 363 F HN 0.114 nan 8.300 nan 0.000 0.577 364 I N 1.583 121.910 120.570 -0.404 0.000 2.392 364 I HA 0.215 4.385 4.170 -0.000 0.000 0.295 364 I C 0.418 176.449 176.117 -0.143 0.000 0.985 364 I CA -1.245 59.913 61.300 -0.237 0.000 1.221 364 I CB 1.307 39.137 38.000 -0.283 0.000 1.366 364 I HN -0.006 nan 8.210 nan 0.000 0.467 365 K N 5.852 126.189 120.400 -0.105 0.000 2.264 365 K HA -0.126 4.194 4.320 -0.000 0.000 0.262 365 K C -0.601 175.987 176.600 -0.021 0.000 1.247 365 K CA 0.733 56.997 56.287 -0.037 0.000 1.248 365 K CB -0.438 32.015 32.500 -0.078 0.000 0.825 365 K HN 0.703 nan 8.250 nan 0.000 0.468 366 D N 1.206 121.711 120.400 0.175 0.000 2.988 366 D HA -0.149 4.491 4.640 -0.000 0.000 0.221 366 D C -0.680 175.073 176.300 -0.911 0.000 1.122 366 D CA 1.119 54.776 54.000 -0.572 0.000 0.821 366 D CB -1.251 39.303 40.800 -0.411 0.000 1.098 366 D HN 0.501 nan 8.370 nan 0.000 0.433 367 S N 0.414 115.831 115.700 -0.472 0.000 2.593 367 S HA 0.423 4.893 4.470 -0.000 0.000 0.297 367 S C 0.683 175.125 174.600 -0.262 0.000 1.112 367 S CA -0.199 57.769 58.200 -0.386 0.000 1.043 367 S CB 1.668 64.695 63.200 -0.289 0.000 1.054 367 S HN 0.109 nan 8.310 nan 0.000 0.516 368 D N 1.295 121.600 120.400 -0.158 0.000 2.325 368 D HA 0.091 4.731 4.640 -0.000 0.000 0.225 368 D C -0.154 176.177 176.300 0.052 0.000 1.096 368 D CA -0.199 53.811 54.000 0.017 0.000 0.844 368 D CB -0.202 40.620 40.800 0.037 0.000 0.925 368 D HN 0.551 nan 8.370 nan 0.000 0.513 369 D N -0.405 119.980 120.400 -0.025 0.000 2.498 369 D HA 0.443 5.082 4.640 -0.000 0.000 0.247 369 D C -0.876 175.437 176.300 0.022 0.000 1.070 369 D CA -1.239 52.769 54.000 0.014 0.000 0.842 369 D CB 1.909 42.686 40.800 -0.039 0.000 1.361 369 D HN -0.039 nan 8.370 nan 0.000 0.484 370 A N 3.444 126.401 122.820 0.229 0.000 2.956 370 A HA 0.278 4.598 4.320 -0.000 0.000 0.294 370 A C 0.048 177.859 177.584 0.378 0.000 0.993 370 A CA -0.740 51.475 52.037 0.297 0.000 1.032 370 A CB -0.087 19.044 19.000 0.218 0.000 1.129 370 A HN 0.455 nan 8.150 nan 0.000 0.505 371 R N 1.966 122.666 120.500 0.333 0.000 2.345 371 R HA 0.238 4.578 4.340 -0.000 0.000 0.331 371 R C -0.274 176.044 176.300 0.029 0.000 1.067 371 R CA -0.325 55.858 56.100 0.138 0.000 0.962 371 R CB -0.145 30.128 30.300 -0.044 0.000 0.987 371 R HN 0.440 nan 8.270 nan 0.000 0.451 372 N N 0.931 119.630 118.700 -0.001 0.000 2.738 372 N HA -0.140 4.600 4.740 -0.000 0.000 0.249 372 N C -0.957 174.385 175.510 -0.281 0.000 1.047 372 N CA 1.367 54.350 53.050 -0.113 0.000 0.707 372 N CB -1.343 37.048 38.487 -0.159 0.000 0.937 372 N HN 0.652 nan 8.380 nan 0.000 0.545 373 T N 0.124 114.535 114.554 -0.239 0.000 2.871 373 T HA 0.132 4.482 4.350 -0.000 0.000 0.296 373 T C -0.837 173.633 174.700 -0.384 0.000 0.998 373 T CA -0.872 61.001 62.100 -0.379 0.000 1.162 373 T CB 1.135 69.596 68.868 -0.678 0.000 0.947 373 T HN 0.093 nan 8.240 nan 0.000 0.536 374 P HA -0.011 nan 4.420 nan 0.000 0.231 374 P C 1.152 178.341 177.300 -0.186 0.000 1.158 374 P CA 0.436 63.403 63.100 -0.223 0.000 0.763 374 P CB 0.043 31.633 31.700 -0.184 0.000 0.805 375 S N 0.064 115.574 115.700 -0.317 0.000 2.428 375 S HA -0.125 4.345 4.470 -0.000 0.000 0.230 375 S C 1.917 176.385 174.600 -0.221 0.000 1.014 375 S CA 0.892 58.916 58.200 -0.292 0.000 0.957 375 S CB -0.440 62.490 63.200 -0.449 0.000 0.784 375 S HN 0.339 nan 8.310 nan 0.000 0.499 376 E N 1.587 121.550 120.200 -0.394 0.000 2.006 376 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 376 E C -0.805 175.824 176.600 0.047 0.000 0.993 376 E CA 1.224 57.572 56.400 -0.086 0.000 0.808 376 E CB -0.562 29.109 29.700 -0.048 0.000 0.764 376 E HN 0.315 nan 8.360 nan 0.000 0.449 377 P HA -0.202 nan 4.420 nan 0.000 0.219 377 P C 1.069 178.378 177.300 0.014 0.000 1.146 377 P CA 1.290 64.392 63.100 0.005 0.000 0.808 377 P CB -0.221 31.469 31.700 -0.016 0.000 0.779 378 Y N 1.616 121.887 120.300 -0.049 0.000 2.133 378 Y HA -0.132 4.418 4.550 -0.000 0.000 0.287 378 Y C 2.976 178.889 175.900 0.021 0.000 1.134 378 Y CA 1.783 59.871 58.100 -0.020 0.000 1.133 378 Y CB -0.545 37.911 38.460 -0.007 0.000 0.987 378 Y HN -0.284 nan 8.280 nan 0.000 0.502 379 R N 0.391 121.102 120.500 0.350 0.000 2.117 379 R HA -0.212 4.128 4.340 -0.000 0.000 0.243 379 R C 1.594 177.938 176.300 0.074 0.000 1.143 379 R CA 2.221 58.486 56.100 0.275 0.000 0.968 379 R CB -0.437 30.085 30.300 0.370 0.000 0.863 379 R HN 0.396 nan 8.270 nan 0.000 0.444 380 D N 0.458 120.877 120.400 0.032 0.000 2.144 380 D HA -0.122 4.517 4.640 -0.000 0.000 0.200 380 D C 2.011 178.227 176.300 -0.140 0.000 0.978 380 D CA 1.002 54.985 54.000 -0.028 0.000 0.833 380 D CB -0.123 40.672 40.800 -0.008 0.000 0.961 380 D HN 0.275 nan 8.370 nan 0.000 0.470 381 L N 0.258 121.312 121.223 -0.282 0.000 2.042 381 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 381 L C 2.641 179.242 176.870 -0.447 0.000 1.076 381 L CA 0.907 55.421 54.840 -0.543 0.000 0.749 381 L CB -0.379 41.100 42.059 -0.966 0.000 0.893 381 L HN 0.140 nan 8.230 nan 0.000 0.432 382 C N -0.435 118.699 119.300 -0.276 0.000 2.446 382 C HA -0.117 4.343 4.460 -0.000 0.000 0.277 382 C C 2.702 177.681 174.990 -0.017 0.000 1.275 382 C CA 0.265 59.254 59.018 -0.048 0.000 1.727 382 C CB -0.808 26.927 27.740 -0.008 0.000 2.010 382 C HN 0.436 nan 8.230 nan 0.000 0.486 383 L N 0.467 121.673 121.223 -0.029 0.000 2.201 383 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 383 L C 2.671 179.530 176.870 -0.018 0.000 1.105 383 L CA 1.378 56.214 54.840 -0.006 0.000 0.775 383 L CB -0.474 41.589 42.059 0.007 0.000 0.913 383 L HN 0.396 nan 8.230 nan 0.000 0.440 384 K N -0.261 120.109 120.400 -0.050 0.000 2.137 384 K HA -0.009 4.311 4.320 -0.000 0.000 0.202 384 K C 2.076 178.659 176.600 -0.029 0.000 1.052 384 K CA 0.867 57.125 56.287 -0.048 0.000 0.961 384 K CB 0.044 32.494 32.500 -0.083 0.000 0.741 384 K HN 0.235 nan 8.250 nan 0.000 0.452 385 A N 0.131 122.937 122.820 -0.022 0.000 2.121 385 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 385 A C 1.303 178.904 177.584 0.030 0.000 1.154 385 A CA 1.428 53.483 52.037 0.029 0.000 0.679 385 A CB -0.324 18.751 19.000 0.125 0.000 0.795 385 A HN 0.496 nan 8.150 nan 0.000 0.458 386 G N -2.943 105.868 108.800 0.019 0.000 2.159 386 G HA2 0.222 4.182 3.960 -0.000 0.000 0.170 386 G HA3 0.222 4.182 3.960 -0.000 0.000 0.170 386 G C 0.255 175.167 174.900 0.019 0.000 1.007 386 G CA 0.103 45.212 45.100 0.016 0.000 0.672 386 G HN 1.442 nan 8.290 nan 0.000 0.507 387 A N 0.223 123.060 122.820 0.028 0.000 2.302 387 A HA 0.844 5.164 4.320 -0.000 0.000 0.285 387 A C 0.795 178.397 177.584 0.031 0.000 1.105 387 A CA 0.776 52.832 52.037 0.032 0.000 0.816 387 A CB 0.950 19.977 19.000 0.046 0.000 1.067 387 A HN 1.853 nan 8.150 nan 0.000 0.489 388 S N 0.769 116.487 115.700 0.029 0.000 2.585 388 S HA 0.632 5.102 4.470 -0.000 0.000 0.277 388 S C -0.609 174.017 174.600 0.044 0.000 1.241 388 S CA -0.470 57.748 58.200 0.030 0.000 1.041 388 S CB 0.933 64.145 63.200 0.021 0.000 0.987 388 S HN 0.925 nan 8.310 nan 0.000 0.512 389 V N 4.697 124.639 119.914 0.046 0.000 2.588 389 V HA 0.507 4.627 4.120 -0.000 0.000 0.304 389 V C -0.444 175.679 176.094 0.048 0.000 1.042 389 V CA -0.577 61.762 62.300 0.065 0.000 0.877 389 V CB 1.685 33.562 31.823 0.090 0.000 0.996 389 V HN 0.982 nan 8.190 nan 0.000 0.425 390 M N 4.389 124.023 119.600 0.056 0.000 2.253 390 M HA 0.579 5.059 4.480 -0.000 0.000 0.314 390 M C -1.175 175.166 176.300 0.069 0.000 1.019 390 M CA -0.678 54.650 55.300 0.047 0.000 0.932 390 M CB 2.223 34.852 32.600 0.049 0.000 1.606 390 M HN 0.397 nan 8.290 nan 0.000 0.430 391 V N 3.274 123.212 119.914 0.041 0.000 2.394 391 V HA 0.394 4.514 4.120 -0.000 0.000 0.282 391 V C -0.310 175.846 176.094 0.103 0.000 1.031 391 V CA -0.601 61.732 62.300 0.055 0.000 0.881 391 V CB 1.355 33.105 31.823 -0.121 0.000 0.982 391 V HN 0.713 nan 8.190 nan 0.000 0.451 392 H N 4.754 123.877 119.070 0.089 0.000 2.622 392 H HA 0.582 5.138 4.556 -0.000 0.000 0.363 392 H C -1.735 173.739 175.328 0.242 0.000 1.151 392 H CA -0.521 55.607 56.048 0.133 0.000 1.184 392 H CB 2.327 32.183 29.762 0.157 0.000 1.643 392 H HN 0.766 nan 8.280 nan 0.000 0.531 393 D N 4.567 124.729 120.400 -0.396 0.000 2.711 393 D HA 0.083 4.723 4.640 -0.000 0.000 0.204 393 D C -2.443 173.597 176.300 -0.433 0.000 1.257 393 D CA -1.184 52.750 54.000 -0.111 0.000 0.808 393 D CB 2.586 43.506 40.800 0.200 0.000 1.780 393 D HN 0.259 nan 8.370 nan 0.000 0.537 394 P HA 0.051 nan 4.420 nan 0.000 0.229 394 P C 0.397 177.206 177.300 -0.818 0.000 1.160 394 P CA 0.906 63.544 63.100 -0.771 0.000 0.777 394 P CB 0.179 31.210 31.700 -1.115 0.000 0.814 395 Y N -2.326 117.852 120.300 -0.204 0.000 2.638 395 Y HA 0.160 4.710 4.550 -0.000 0.000 0.275 395 Y C 1.045 176.915 175.900 -0.050 0.000 1.122 395 Y CA -0.226 57.789 58.100 -0.140 0.000 1.266 395 Y CB -0.291 38.056 38.460 -0.189 0.000 1.317 395 Y HN -0.425 nan 8.280 nan 0.000 0.501 396 V N 2.547 122.554 119.914 0.155 0.000 2.405 396 V HA 0.190 4.310 4.120 -0.000 0.000 0.264 396 V C -0.145 176.003 176.094 0.089 0.000 1.048 396 V CA -0.541 61.866 62.300 0.178 0.000 0.966 396 V CB 0.828 32.843 31.823 0.320 0.000 1.015 396 V HN -0.028 nan 8.190 nan 0.000 0.477 397 V N 5.736 125.701 119.914 0.085 0.000 2.513 397 V HA 0.530 4.650 4.120 -0.000 0.000 0.299 397 V C 0.284 176.425 176.094 0.079 0.000 1.035 397 V CA -0.510 61.818 62.300 0.047 0.000 0.889 397 V CB 1.336 33.170 31.823 0.020 0.000 0.988 397 V HN 1.112 nan 8.190 nan 0.000 0.440 398 N N 3.708 122.444 118.700 0.060 0.000 2.765 398 N HA -0.197 4.543 4.740 -0.000 0.000 0.254 398 N C -1.236 174.345 175.510 0.119 0.000 1.094 398 N CA 0.489 53.578 53.050 0.065 0.000 0.680 398 N CB -0.948 37.565 38.487 0.044 0.000 0.902 398 N HN 0.706 nan 8.380 nan 0.000 0.557 399 Y N 1.378 121.677 120.300 -0.002 0.000 2.299 399 Y HA 0.422 4.972 4.550 -0.000 0.000 0.326 399 Y C -1.948 173.969 175.900 0.029 0.000 1.164 399 Y CA -1.892 56.239 58.100 0.053 0.000 1.234 399 Y CB 0.908 39.386 38.460 0.029 0.000 1.219 399 Y HN 0.102 nan 8.280 nan 0.000 0.497 400 P HA 0.192 nan 4.420 nan 0.000 0.271 400 P C 0.134 177.449 177.300 0.025 0.000 1.226 400 P CA 0.706 63.736 63.100 -0.116 0.000 0.765 400 P CB 0.633 32.211 31.700 -0.202 0.000 0.835 401 G N 1.757 110.580 108.800 0.039 0.000 2.258 401 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.274 401 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.274 401 G C -0.115 174.833 174.900 0.081 0.000 1.021 401 G CA 0.069 45.202 45.100 0.055 0.000 0.798 401 G HN 0.568 nan 8.290 nan 0.000 0.507 402 V N 0.321 120.284 119.914 0.081 0.000 2.697 402 V HA 0.377 4.497 4.120 -0.000 0.000 0.300 402 V C -0.181 175.845 176.094 -0.114 0.000 1.115 402 V CA -0.655 61.639 62.300 -0.010 0.000 0.912 402 V CB 1.893 33.726 31.823 0.017 0.000 1.024 402 V HN 0.540 nan 8.190 nan 0.000 0.431 403 E N 5.466 125.583 120.200 -0.139 0.000 2.167 403 E HA 0.708 5.058 4.350 -0.000 0.000 0.284 403 E C -1.211 175.270 176.600 -0.199 0.000 1.016 403 E CA -0.667 55.655 56.400 -0.131 0.000 0.817 403 E CB 1.988 31.647 29.700 -0.068 0.000 1.080 403 E HN 0.400 nan 8.360 nan 0.000 0.397 404 I N 2.066 122.516 120.570 -0.199 0.000 2.603 404 I HA 0.274 4.444 4.170 -0.000 0.000 0.300 404 I C -0.147 175.899 176.117 -0.120 0.000 1.017 404 I CA -0.464 60.706 61.300 -0.217 0.000 1.098 404 I CB 2.122 39.952 38.000 -0.282 0.000 1.279 404 I HN 0.550 nan 8.210 nan 0.000 0.437 405 S N 2.682 118.327 115.700 -0.092 0.000 2.536 405 S HA 0.365 4.835 4.470 -0.000 0.000 0.298 405 S C 0.583 175.094 174.600 -0.149 0.000 1.083 405 S CA -0.704 57.461 58.200 -0.058 0.000 0.995 405 S CB 0.898 64.114 63.200 0.027 0.000 1.058 405 S HN 0.675 nan 8.310 nan 0.000 0.488 406 D N 2.965 123.301 120.400 -0.105 0.000 2.097 406 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 406 D C 0.516 176.850 176.300 0.057 0.000 0.984 406 D CA 0.859 54.782 54.000 -0.130 0.000 0.826 406 D CB -0.678 40.079 40.800 -0.071 0.000 0.973 406 D HN 0.661 nan 8.370 nan 0.000 0.460 407 N N 0.336 119.137 118.700 0.169 0.000 2.426 407 N HA 0.098 4.837 4.740 -0.000 0.000 0.257 407 N C 0.892 176.594 175.510 0.321 0.000 1.002 407 N CA -0.531 52.663 53.050 0.240 0.000 0.942 407 N CB 1.866 40.435 38.487 0.137 0.000 1.112 407 N HN -0.054 nan 8.380 nan 0.000 0.499 408 L N 1.369 122.729 121.223 0.228 0.000 2.012 408 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 408 L C 2.313 179.327 176.870 0.240 0.000 1.073 408 L CA 1.554 56.389 54.840 -0.009 0.000 0.748 408 L CB -0.348 41.642 42.059 -0.115 0.000 0.891 408 L HN 0.808 nan 8.230 nan 0.000 0.431 409 E N 0.613 121.041 120.200 0.380 0.000 2.070 409 E HA -0.309 4.041 4.350 -0.000 0.000 0.197 409 E C 1.871 178.544 176.600 0.122 0.000 1.004 409 E CA 2.214 58.804 56.400 0.318 0.000 0.805 409 E CB -0.035 29.852 29.700 0.312 0.000 0.744 409 E HN 0.771 nan 8.360 nan 0.000 0.451 410 E N -0.298 119.976 120.200 0.124 0.000 2.107 410 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 410 E C 2.231 178.872 176.600 0.069 0.000 0.982 410 E CA 1.254 57.699 56.400 0.075 0.000 0.809 410 E CB -0.306 29.436 29.700 0.069 0.000 0.756 410 E HN 0.056 nan 8.360 nan 0.000 0.459 411 V N 1.161 121.138 119.914 0.104 0.000 2.343 411 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 411 V C 2.351 178.483 176.094 0.063 0.000 1.051 411 V CA 1.464 63.821 62.300 0.095 0.000 1.036 411 V CB 0.004 31.914 31.823 0.145 0.000 0.654 411 V HN 0.252 nan 8.190 nan 0.000 0.451 412 V N 0.362 120.314 119.914 0.063 0.000 2.951 412 V HA -0.005 4.115 4.120 -0.000 0.000 0.255 412 V C 1.416 177.496 176.094 -0.024 0.000 1.088 412 V CA 0.524 62.846 62.300 0.037 0.000 1.109 412 V CB -0.577 31.302 31.823 0.094 0.000 0.724 412 V HN 0.674 nan 8.190 nan 0.000 0.471 413 R N 1.477 121.950 120.500 -0.045 0.000 2.522 413 R HA -0.025 4.315 4.340 -0.000 0.000 0.284 413 R C 0.466 176.738 176.300 -0.047 0.000 1.032 413 R CA 0.588 56.641 56.100 -0.078 0.000 1.049 413 R CB -0.217 30.038 30.300 -0.076 0.000 0.956 413 R HN 0.354 nan 8.270 nan 0.000 0.422 414 N N -0.306 118.358 118.700 -0.060 0.000 2.828 414 N HA -0.207 4.532 4.740 -0.000 0.000 0.248 414 N C -0.787 174.708 175.510 -0.026 0.000 1.044 414 N CA 1.516 54.540 53.050 -0.043 0.000 0.851 414 N CB -1.436 37.032 38.487 -0.032 0.000 1.136 414 N HN 0.836 nan 8.380 nan 0.000 0.572 415 A N 0.410 123.220 122.820 -0.017 0.000 2.409 415 A HA 0.278 4.598 4.320 -0.000 0.000 0.262 415 A C 1.178 178.764 177.584 0.003 0.000 1.113 415 A CA -0.049 51.991 52.037 0.005 0.000 0.790 415 A CB 0.468 19.482 19.000 0.024 0.000 1.046 415 A HN 0.152 nan 8.150 nan 0.000 0.496 416 D N 1.366 121.770 120.400 0.006 0.000 2.123 416 D HA 0.078 4.718 4.640 -0.000 0.000 0.200 416 D C 0.816 177.126 176.300 0.018 0.000 0.976 416 D CA 1.812 55.812 54.000 0.001 0.000 0.831 416 D CB 0.209 41.007 40.800 -0.003 0.000 0.974 416 D HN 0.638 nan 8.370 nan 0.000 0.469 417 A N 0.584 123.424 122.820 0.034 0.000 2.355 417 A HA 0.602 4.922 4.320 -0.000 0.000 0.317 417 A C -0.700 176.920 177.584 0.060 0.000 1.094 417 A CA -0.512 51.554 52.037 0.048 0.000 0.764 417 A CB 1.329 20.350 19.000 0.035 0.000 1.230 417 A HN 0.013 nan 8.150 nan 0.000 0.448 418 I N 2.436 123.051 120.570 0.076 0.000 2.339 418 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 418 I C -0.831 175.258 176.117 -0.047 0.000 0.994 418 I CA -0.594 60.729 61.300 0.039 0.000 1.191 418 I CB 1.854 39.919 38.000 0.108 0.000 1.343 418 I HN 0.300 nan 8.210 nan 0.000 0.458 419 V N 7.255 127.109 119.914 -0.099 0.000 2.443 419 V HA 0.373 4.493 4.120 -0.000 0.000 0.293 419 V C -0.191 175.755 176.094 -0.247 0.000 1.021 419 V CA -0.731 61.462 62.300 -0.178 0.000 0.848 419 V CB 1.962 33.675 31.823 -0.184 0.000 0.998 419 V HN 0.356 nan 8.190 nan 0.000 0.424 420 V N 6.809 126.573 119.914 -0.250 0.000 2.370 420 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 420 V C 0.270 176.254 176.094 -0.183 0.000 1.029 420 V CA -0.052 62.102 62.300 -0.244 0.000 0.870 420 V CB 1.396 33.094 31.823 -0.209 0.000 0.984 420 V HN 0.785 nan 8.190 nan 0.000 0.451 421 L N 3.963 125.102 121.223 -0.140 0.000 2.840 421 L HA 0.583 4.922 4.340 -0.000 0.000 0.249 421 L C 0.902 177.735 176.870 -0.061 0.000 1.119 421 L CA 0.618 55.387 54.840 -0.119 0.000 0.930 421 L CB 0.221 42.177 42.059 -0.171 0.000 1.295 421 L HN 0.658 nan 8.230 nan 0.000 0.534 422 A N -0.382 122.416 122.820 -0.038 0.000 2.350 422 A HA 0.704 5.024 4.320 -0.000 0.000 0.324 422 A C 0.867 178.377 177.584 -0.123 0.000 1.118 422 A CA -0.006 51.919 52.037 -0.186 0.000 0.783 422 A CB 0.945 19.618 19.000 -0.546 0.000 1.236 422 A HN 0.109 nan 8.150 nan 0.000 0.457 423 G N 1.137 109.845 108.800 -0.154 0.000 3.332 423 G HA2 0.222 4.182 3.960 -0.000 0.000 0.242 423 G HA3 0.222 4.182 3.960 -0.000 0.000 0.242 423 G C 0.305 175.171 174.900 -0.058 0.000 1.276 423 G CA -0.177 44.879 45.100 -0.073 0.000 0.988 423 G HN 0.763 nan 8.290 nan 0.000 0.517 424 H N 0.042 119.070 119.070 -0.070 0.000 3.058 424 H HA -0.006 4.550 4.556 -0.000 0.000 0.347 424 H C 1.536 176.741 175.328 -0.205 0.000 1.087 424 H CA 0.311 56.233 56.048 -0.211 0.000 1.375 424 H CB 0.748 30.229 29.762 -0.470 0.000 1.312 424 H HN 0.085 nan 8.280 nan 0.000 0.607 425 S N 1.861 117.565 115.700 0.007 0.000 2.406 425 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 425 S C 2.225 176.798 174.600 -0.046 0.000 1.020 425 S CA 0.734 58.920 58.200 -0.023 0.000 0.965 425 S CB -0.051 63.139 63.200 -0.017 0.000 0.798 425 S HN 0.748 nan 8.310 nan 0.000 0.488 426 A N 0.785 123.537 122.820 -0.114 0.000 1.986 426 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 426 A C 1.740 179.366 177.584 0.069 0.000 1.171 426 A CA 1.614 53.594 52.037 -0.094 0.000 0.640 426 A CB -0.781 18.126 19.000 -0.155 0.000 0.811 426 A HN 0.576 nan 8.150 nan 0.000 0.451 427 Y N -0.938 119.395 120.300 0.054 0.000 2.420 427 Y HA 0.096 4.646 4.550 -0.001 0.000 0.292 427 Y C 2.827 178.722 175.900 -0.009 0.000 1.119 427 Y CA 0.220 58.330 58.100 0.016 0.000 1.229 427 Y CB -1.047 37.427 38.460 0.023 0.000 1.026 427 Y HN 0.285 nan 8.280 nan 0.000 0.554 428 S N -0.342 115.425 115.700 0.111 0.000 2.453 428 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 428 S C 2.073 176.695 174.600 0.037 0.000 1.005 428 S CA 1.124 59.349 58.200 0.043 0.000 0.949 428 S CB -0.307 62.892 63.200 -0.001 0.000 0.774 428 S HN 0.580 nan 8.310 nan 0.000 0.510 429 S N 0.430 116.149 115.700 0.032 0.000 2.524 429 S HA 0.198 4.668 4.470 -0.000 0.000 0.216 429 S C 0.501 175.110 174.600 0.016 0.000 0.987 429 S CA -0.376 57.827 58.200 0.005 0.000 0.909 429 S CB -0.468 62.711 63.200 -0.035 0.000 0.781 429 S HN 0.348 nan 8.310 nan 0.000 0.521 430 L N 3.811 125.076 121.223 0.071 0.000 2.628 430 L HA 0.141 4.481 4.340 -0.000 0.000 0.274 430 L C -0.190 176.805 176.870 0.208 0.000 1.209 430 L CA 0.412 55.322 54.840 0.117 0.000 0.930 430 L CB 0.013 42.185 42.059 0.188 0.000 1.183 430 L HN 0.273 nan 8.230 nan 0.000 0.492 431 K N 4.442 124.907 120.400 0.108 0.000 2.159 431 K HA 0.670 4.989 4.320 -0.000 0.000 0.266 431 K C 0.889 177.415 176.600 -0.123 0.000 0.975 431 K CA -0.147 56.147 56.287 0.011 0.000 0.865 431 K CB 1.202 33.699 32.500 -0.006 0.000 1.087 431 K HN 0.515 nan 8.250 nan 0.000 0.446 432 A N 2.620 125.050 122.820 -0.649 0.000 1.873 432 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 432 A C 1.479 178.993 177.584 -0.117 0.000 1.193 432 A CA 2.042 53.511 52.037 -0.947 0.000 0.629 432 A CB -0.712 17.594 19.000 -1.158 0.000 0.826 432 A HN 0.953 nan 8.150 nan 0.000 0.447 433 D N -1.567 118.806 120.400 -0.044 0.000 2.126 433 D HA -0.225 4.415 4.640 -0.000 0.000 0.190 433 D C 1.569 177.946 176.300 0.127 0.000 1.001 433 D CA 1.657 55.691 54.000 0.055 0.000 0.841 433 D CB -0.472 40.362 40.800 0.058 0.000 0.949 433 D HN 0.765 nan 8.370 nan 0.000 0.446 434 W N 1.437 122.735 121.300 -0.004 0.000 2.379 434 W HA -0.082 4.578 4.660 -0.000 0.000 0.307 434 W C 2.483 179.042 176.519 0.066 0.000 1.200 434 W CA 2.319 59.678 57.345 0.023 0.000 1.297 434 W CB -0.355 29.116 29.460 0.019 0.000 1.140 434 W HN -0.027 nan 8.180 nan 0.000 0.507 435 A N 0.358 123.436 122.820 0.430 0.000 1.933 435 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 435 A C 2.088 179.793 177.584 0.202 0.000 1.175 435 A CA 1.732 53.984 52.037 0.358 0.000 0.628 435 A CB -0.829 18.523 19.000 0.586 0.000 0.814 435 A HN 0.228 nan 8.150 nan 0.000 0.444 436 K N 0.641 121.174 120.400 0.222 0.000 2.026 436 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 436 K C 2.131 178.658 176.600 -0.121 0.000 1.048 436 K CA 1.913 58.177 56.287 -0.038 0.000 0.929 436 K CB -0.214 32.269 32.500 -0.028 0.000 0.713 436 K HN 0.736 nan 8.250 nan 0.000 0.439 437 K N -0.048 120.269 120.400 -0.138 0.000 2.116 437 K HA -0.022 4.298 4.320 -0.000 0.000 0.203 437 K C 2.009 178.448 176.600 -0.268 0.000 1.052 437 K CA 0.948 57.123 56.287 -0.188 0.000 0.952 437 K CB -0.373 32.029 32.500 -0.164 0.000 0.729 437 K HN -0.124 nan 8.250 nan 0.000 0.446 438 V N 2.904 122.556 119.914 -0.436 0.000 2.307 438 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 438 V C 2.825 178.765 176.094 -0.257 0.000 1.045 438 V CA 2.220 64.236 62.300 -0.472 0.000 1.024 438 V CB -0.524 30.767 31.823 -0.887 0.000 0.651 438 V HN 0.640 nan 8.190 nan 0.000 0.449 439 S N 0.491 116.082 115.700 -0.182 0.000 2.419 439 S HA 0.013 4.483 4.470 -0.000 0.000 0.235 439 S C 1.217 175.750 174.600 -0.112 0.000 1.019 439 S CA 0.814 58.953 58.200 -0.102 0.000 0.982 439 S CB -0.562 62.608 63.200 -0.049 0.000 0.789 439 S HN 1.529 nan 8.310 nan 0.000 0.490 440 A N 0.493 123.232 122.820 -0.136 0.000 6.880 440 A HA 0.024 4.344 4.320 -0.000 0.000 0.254 440 A C 0.858 178.371 177.584 -0.119 0.000 2.140 440 A CA 1.236 53.202 52.037 -0.118 0.000 0.766 440 A CB -1.389 17.555 19.000 -0.095 0.000 0.986 440 A HN 0.905 nan 8.150 nan 0.000 0.395 441 K N -3.983 116.355 120.400 -0.104 0.000 2.579 441 K HA 0.305 4.625 4.320 -0.000 0.000 0.442 441 K C 1.390 177.933 176.600 -0.096 0.000 0.370 441 K CA 3.607 59.833 56.287 -0.102 0.000 1.970 441 K CB -1.865 30.560 32.500 -0.125 0.000 0.486 441 K HN 2.750 nan 8.250 nan 0.000 0.341 442 A N -0.738 122.006 122.820 -0.126 0.000 1.321 442 A HA -0.208 4.112 4.320 -0.000 0.000 0.205 442 A C -0.587 176.933 177.584 -0.107 0.000 0.631 442 A CA 0.956 52.937 52.037 -0.093 0.000 1.118 442 A CB -1.436 17.533 19.000 -0.051 0.000 1.462 442 A HN 0.320 nan 8.150 nan 0.000 0.721 443 N N 2.012 120.661 118.700 -0.084 0.000 2.976 443 N HA 0.511 5.251 4.740 -0.000 0.000 0.255 443 N C -3.053 172.377 175.510 -0.134 0.000 1.312 443 N CA -1.078 51.929 53.050 -0.071 0.000 0.897 443 N CB 1.543 40.067 38.487 0.062 0.000 1.184 443 N HN 0.483 nan 8.380 nan 0.000 0.497 444 P HA 0.107 nan 4.420 nan 0.000 0.277 444 P C -0.401 176.863 177.300 -0.059 0.000 1.240 444 P CA -0.261 62.678 63.100 -0.269 0.000 0.798 444 P CB 1.391 32.803 31.700 -0.480 0.000 0.979 445 V N 3.980 123.957 119.914 0.105 0.000 2.398 445 V HA 0.352 4.472 4.120 -0.000 0.000 0.286 445 V C 0.336 176.590 176.094 0.267 0.000 1.026 445 V CA -0.468 61.938 62.300 0.177 0.000 0.868 445 V CB 1.098 32.950 31.823 0.049 0.000 0.982 445 V HN 0.456 nan 8.190 nan 0.000 0.443 446 I N 6.325 127.068 120.570 0.287 0.000 2.406 446 I HA 0.621 4.790 4.170 -0.000 0.000 0.290 446 I C -1.081 174.961 176.117 -0.124 0.000 0.999 446 I CA -0.154 61.188 61.300 0.070 0.000 1.124 446 I CB 1.439 39.388 38.000 -0.086 0.000 1.289 446 I HN 0.477 nan 8.210 nan 0.000 0.441 447 I N 7.271 127.730 120.570 -0.185 0.000 2.418 447 I HA 0.374 4.544 4.170 -0.000 0.000 0.287 447 I C -0.855 175.099 176.117 -0.272 0.000 1.008 447 I CA -0.280 60.849 61.300 -0.284 0.000 1.104 447 I CB 1.501 39.376 38.000 -0.209 0.000 1.264 447 I HN 0.423 nan 8.210 nan 0.000 0.438 448 D N 4.154 124.371 120.400 -0.305 0.000 2.349 448 D HA 0.483 5.123 4.640 -0.000 0.000 0.232 448 D C 0.928 177.171 176.300 -0.095 0.000 1.071 448 D CA -0.226 53.665 54.000 -0.181 0.000 0.832 448 D CB 1.708 42.442 40.800 -0.110 0.000 1.086 448 D HN 0.649 nan 8.370 nan 0.000 0.504 449 G N 3.188 111.938 108.800 -0.084 0.000 2.986 449 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.213 449 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.213 449 G C 0.986 175.901 174.900 0.025 0.000 1.156 449 G CA -0.121 44.961 45.100 -0.031 0.000 0.763 449 G HN 0.318 nan 8.290 nan 0.000 0.547 450 R N 0.022 120.529 120.500 0.013 0.000 2.600 450 R HA 0.167 4.507 4.340 -0.000 0.000 0.392 450 R C 0.396 176.699 176.300 0.006 0.000 1.032 450 R CA -0.487 55.624 56.100 0.019 0.000 1.139 450 R CB -0.617 29.673 30.300 -0.016 0.000 1.400 450 R HN 0.240 nan 8.270 nan 0.000 0.566 451 N N 0.857 119.580 118.700 0.039 0.000 2.721 451 N HA -0.157 4.582 4.740 -0.000 0.000 0.249 451 N C 0.578 176.026 175.510 -0.104 0.000 1.072 451 N CA 0.912 53.942 53.050 -0.034 0.000 0.710 451 N CB -0.886 37.533 38.487 -0.113 0.000 0.993 451 N HN 0.235 nan 8.380 nan 0.000 0.547 452 V N -3.185 116.687 119.914 -0.070 0.000 3.661 452 V HA 0.467 4.587 4.120 -0.000 0.000 0.271 452 V C 0.887 176.931 176.094 -0.083 0.000 1.315 452 V CA 0.265 62.523 62.300 -0.071 0.000 1.072 452 V CB 0.112 31.924 31.823 -0.019 0.000 0.830 452 V HN 0.182 nan 8.190 nan 0.000 0.443 453 I N 2.042 122.541 120.570 -0.120 0.000 2.331 453 I HA 0.404 4.573 4.170 -0.000 0.000 0.292 453 I C 0.263 176.268 176.117 -0.187 0.000 0.998 453 I CA -0.073 61.082 61.300 -0.241 0.000 1.267 453 I CB 1.368 39.081 38.000 -0.477 0.000 1.386 453 I HN 0.123 nan 8.210 nan 0.000 0.476 454 E N 9.076 129.193 120.200 -0.139 0.000 2.129 454 E HA 0.162 4.512 4.350 -0.000 0.000 0.283 454 E C -1.913 174.551 176.600 -0.226 0.000 1.080 454 E CA -1.734 54.586 56.400 -0.132 0.000 0.867 454 E CB 1.297 30.976 29.700 -0.036 0.000 1.056 454 E HN 0.301 nan 8.360 nan 0.000 0.404 455 P HA -0.143 nan 4.420 nan 0.000 0.215 455 P C 0.546 177.537 177.300 -0.516 0.000 1.157 455 P CA 1.077 63.620 63.100 -0.928 0.000 0.874 455 P CB 0.380 31.178 31.700 -1.503 0.000 0.790 456 D N -0.760 119.422 120.400 -0.363 0.000 2.144 456 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 456 D C 1.944 178.201 176.300 -0.072 0.000 0.978 456 D CA 0.838 54.730 54.000 -0.181 0.000 0.833 456 D CB -0.601 40.144 40.800 -0.092 0.000 0.961 456 D HN 0.340 nan 8.370 nan 0.000 0.470 457 E N -0.324 119.858 120.200 -0.029 0.000 2.070 457 E HA -0.203 4.147 4.350 -0.000 0.000 0.197 457 E C 1.792 178.356 176.600 -0.060 0.000 1.004 457 E CA 1.067 57.454 56.400 -0.021 0.000 0.805 457 E CB -0.113 29.599 29.700 0.019 0.000 0.744 457 E HN 0.281 nan 8.360 nan 0.000 0.451 458 F N 0.064 119.904 119.950 -0.183 0.000 2.270 458 F HA 0.037 4.564 4.527 -0.000 0.000 0.295 458 F C 2.236 178.054 175.800 0.031 0.000 1.087 458 F CA 0.339 58.219 58.000 -0.200 0.000 1.365 458 F CB -0.006 38.682 39.000 -0.521 0.000 1.056 458 F HN 0.009 nan 8.300 nan 0.000 0.506 459 I N -0.022 120.590 120.570 0.069 0.000 2.179 459 I HA -0.244 3.925 4.170 -0.000 0.000 0.242 459 I C 2.661 178.838 176.117 0.100 0.000 1.088 459 I CA 1.612 62.906 61.300 -0.010 0.000 1.357 459 I CB -1.028 36.813 38.000 -0.265 0.000 1.051 459 I HN 0.184 nan 8.210 nan 0.000 0.409 460 G N 0.231 109.069 108.800 0.063 0.000 2.535 460 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 460 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 460 G C 1.493 176.443 174.900 0.084 0.000 1.122 460 G CA 0.452 45.592 45.100 0.067 0.000 0.769 460 G HN 0.214 nan 8.290 nan 0.000 0.549 461 K N -0.448 120.029 120.400 0.129 0.000 2.455 461 K HA 0.379 4.699 4.320 -0.000 0.000 0.206 461 K C 1.371 178.068 176.600 0.162 0.000 1.027 461 K CA 0.531 56.898 56.287 0.133 0.000 1.113 461 K CB 0.071 32.648 32.500 0.128 0.000 0.850 461 K HN 0.218 nan 8.250 nan 0.000 0.503 462 G N -0.155 108.756 108.800 0.184 0.000 2.194 462 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.236 462 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.236 462 G C 0.054 175.063 174.900 0.182 0.000 0.987 462 G CA -0.071 45.116 45.100 0.145 0.000 0.635 462 G HN 0.215 nan 8.290 nan 0.000 0.520 463 F N 0.411 120.453 119.950 0.154 0.000 2.485 463 F HA 0.483 5.010 4.527 0.000 0.000 0.327 463 F C 1.096 177.022 175.800 0.210 0.000 1.203 463 F CA 0.081 58.189 58.000 0.180 0.000 1.295 463 F CB 1.038 40.189 39.000 0.251 0.000 1.191 463 F HN -0.012 nan 8.300 nan 0.000 0.588 464 V N 2.885 123.029 119.914 0.384 0.000 2.370 464 V HA 0.217 4.337 4.120 -0.000 0.000 0.283 464 V C -0.973 175.360 176.094 0.398 0.000 1.023 464 V CA -0.875 61.603 62.300 0.296 0.000 0.857 464 V CB 0.942 32.727 31.823 -0.062 0.000 0.985 464 V HN 0.572 nan 8.190 nan 0.000 0.443 465 Y N 5.596 126.185 120.300 0.481 0.000 2.409 465 Y HA 0.729 5.279 4.550 -0.001 0.000 0.339 465 Y C -0.304 175.711 175.900 0.192 0.000 1.033 465 Y CA -0.633 57.604 58.100 0.229 0.000 1.094 465 Y CB 1.429 39.947 38.460 0.095 0.000 1.210 465 Y HN 0.457 nan 8.280 nan 0.000 0.456 466 K N 3.886 123.751 120.400 -0.892 0.000 2.523 466 K HA 0.625 4.945 4.320 -0.000 0.000 0.257 466 K C -1.280 174.668 176.600 -1.087 0.000 0.932 466 K CA -0.793 54.870 56.287 -1.039 0.000 0.812 466 K CB 2.078 34.123 32.500 -0.759 0.000 1.326 466 K HN 0.943 nan 8.250 nan 0.000 0.433 467 G N 1.509 110.161 108.800 -0.246 0.000 2.659 467 G HA2 0.491 4.451 3.960 -0.000 0.000 0.296 467 G HA3 0.491 4.451 3.960 -0.000 0.000 0.296 467 G C -0.517 174.571 174.900 0.313 0.000 1.369 467 G CA -0.829 44.291 45.100 0.034 0.000 0.937 467 G HN 0.473 nan 8.290 nan 0.000 0.485 468 I N 1.371 122.074 120.570 0.222 0.000 2.826 468 I HA 0.066 4.236 4.170 -0.000 0.000 0.295 468 I C 1.673 177.950 176.117 0.266 0.000 1.213 468 I CA 1.762 63.224 61.300 0.269 0.000 1.436 468 I CB 0.635 38.757 38.000 0.202 0.000 1.348 468 I HN 1.006 nan 8.210 nan 0.000 0.570 469 G N 5.507 114.441 108.800 0.224 0.000 2.337 469 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.290 469 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.290 469 G C 0.310 175.250 174.900 0.067 0.000 1.003 469 G CA -0.129 45.028 45.100 0.095 0.000 0.825 469 G HN 0.530 nan 8.290 nan 0.000 0.509 470 R N 0.471 121.017 120.500 0.077 0.000 2.248 470 R HA 0.403 4.743 4.340 -0.000 0.000 0.328 470 R C 1.288 177.375 176.300 -0.355 0.000 1.067 470 R CA -0.334 55.705 56.100 -0.102 0.000 0.924 470 R CB 0.510 30.896 30.300 0.144 0.000 1.013 470 R HN 0.526 nan 8.270 nan 0.000 0.454 471 E N 1.651 121.787 120.200 -0.106 0.000 3.744 471 E HA -0.325 4.024 4.350 -0.000 0.000 0.438 471 E C 1.242 177.742 176.600 -0.167 0.000 1.666 471 E CA 2.540 58.873 56.400 -0.112 0.000 1.743 471 E CB -0.666 28.957 29.700 -0.129 0.000 1.480 471 E HN 0.888 nan 8.360 nan 0.000 0.376 472 G N -1.754 106.962 108.800 -0.141 0.000 2.212 472 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.266 472 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.266 472 G C 0.787 175.588 174.900 -0.164 0.000 0.978 472 G CA 1.242 46.277 45.100 -0.109 0.000 0.632 472 G HN 0.518 nan 8.290 nan 0.000 0.537 473 H N -1.509 117.570 119.070 0.015 0.000 2.729 473 H HA 0.292 4.848 4.556 -0.000 0.000 0.263 473 H C 2.045 177.671 175.328 0.496 0.000 0.961 473 H CA 0.531 56.701 56.048 0.203 0.000 1.217 473 H CB 0.248 30.082 29.762 0.121 0.000 1.447 473 H HN 0.651 nan 8.280 nan 0.000 0.496 474 H N -1.202 118.138 119.070 0.450 0.000 2.559 474 H HA -0.029 4.527 4.556 0.000 0.000 0.273 474 H C 0.646 176.246 175.328 0.454 0.000 1.000 474 H CA 0.369 56.662 56.048 0.408 0.000 1.195 474 H CB 0.459 30.373 29.762 0.254 0.000 1.368 474 H HN 0.372 nan 8.280 nan 0.000 0.592 475 H N -0.578 118.630 119.070 0.230 0.000 2.581 475 H HA 0.062 4.619 4.556 0.000 0.000 0.275 475 H C -0.130 175.240 175.328 0.070 0.000 1.126 475 H CA -0.651 55.444 56.048 0.078 0.000 1.097 475 H CB -0.620 29.188 29.762 0.077 0.000 1.626 475 H HN 0.522 nan 8.280 nan 0.000 0.565 476 H N -0.905 118.358 119.070 0.322 0.000 3.064 476 H HA -0.008 4.548 4.556 -0.000 0.000 0.329 476 H C -0.026 175.471 175.328 0.283 0.000 1.020 476 H CA 0.133 56.370 56.048 0.316 0.000 1.402 476 H CB 0.096 30.070 29.762 0.354 0.000 1.379 476 H HN 0.260 nan 8.280 nan 0.000 0.594 477 H N 3.643 122.893 119.070 0.299 0.000 2.815 477 H HA 0.049 4.605 4.556 -0.000 0.000 0.350 477 H C 0.657 176.263 175.328 0.463 0.000 1.080 477 H CA 0.419 56.617 56.048 0.250 0.000 1.433 477 H CB 0.560 30.408 29.762 0.144 0.000 1.432 477 H HN 0.834 nan 8.280 nan 0.000 0.592 478 H N 0.000 119.228 119.070 0.264 0.000 2.539 478 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 478 H CA 0.000 56.235 56.048 0.311 0.000 1.023 478 H CB 0.000 29.965 29.762 0.338 0.000 1.292 478 H HN 0.000 nan 8.280 nan 0.000 0.496