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 3a0h_1_d DATA FIRST_RESID 5013 DATA SEQUENCE GWFDILDDWL KRDRFVFVGW SGILLFPCAY LALGGWLTGT TFVTSWYTHG DATA SEQUENCE LASSYLEGCN FLTVAVSTPA NSMGHSLLLL WGPEAQGDFT RWCQLGGLWT DATA SEQUENCE FIALHGAFGL IGFMLRQFEI ARLVGVRPYN AIAFSAPIAV FVSVFLIYPL DATA SEQUENCE GQSSWFFAPS FGVAAIFRFL LFFQGFHNWT LNPFHMMGVA GVLGGALLCA DATA SEQUENCE IHGATVENTL FQDGEGASTF RAFNPTQAEE TYSMVTANRF WSQIFGIAFS DATA SEQUENCE NKRWLHFFML FVPVTGLWMS AIGVVGLALN LRSYDFISQE IRAAEDPEFE DATA SEQUENCE TFYTKNLLLN EGIRAWMAPQ DQPHENFVFP EEVLPRGNAL 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 5013 G HA2 0.000 nan 3.960 nan 0.000 0.244 5013 G HA3 0.000 3.952 3.960 -0.013 0.000 0.244 5013 G C 0.000 175.058 174.900 0.263 0.000 0.946 5013 G CA 0.000 45.214 45.100 0.189 0.000 0.502 5014 W N -0.696 120.673 121.300 0.114 0.000 3.231 5014 W HA 0.306 4.958 4.660 -0.013 0.000 0.234 5014 W C 1.075 177.699 176.519 0.175 0.000 1.099 5014 W CA 0.690 58.104 57.345 0.115 0.000 1.467 5014 W CB -0.231 29.293 29.460 0.107 0.000 0.800 5014 W HN 0.450 nan 8.180 nan 0.000 0.739 5015 F N 3.360 123.352 119.950 0.070 0.000 2.104 5015 F HA 0.077 4.596 4.527 -0.013 0.000 0.288 5015 F C 2.133 177.912 175.800 -0.034 0.000 1.107 5015 F CA 2.405 60.374 58.000 -0.052 0.000 1.208 5015 F CB -0.750 38.443 39.000 0.320 0.000 1.033 5015 F HN -0.322 nan 8.300 nan 0.000 0.478 5016 D N 1.400 121.951 120.400 0.252 0.000 2.280 5016 D HA -0.227 4.405 4.640 -0.013 0.000 0.206 5016 D C 2.113 178.348 176.300 -0.108 0.000 0.988 5016 D CA 2.060 56.093 54.000 0.055 0.000 0.886 5016 D CB -0.474 40.440 40.800 0.190 0.000 0.914 5016 D HN 0.526 nan 8.370 nan 0.000 0.473 5017 I N -0.935 119.580 120.570 -0.092 0.000 2.252 5017 I HA -0.176 3.986 4.170 -0.013 0.000 0.245 5017 I C 2.376 178.389 176.117 -0.173 0.000 1.102 5017 I CA 0.811 62.048 61.300 -0.105 0.000 1.385 5017 I CB -0.593 37.355 38.000 -0.087 0.000 1.064 5017 I HN -0.108 nan 8.210 nan 0.000 0.414 5018 L N 1.288 122.328 121.223 -0.305 0.000 2.017 5018 L HA -0.172 4.160 4.340 -0.013 0.000 0.208 5018 L C 1.985 178.559 176.870 -0.494 0.000 1.073 5018 L CA 2.107 56.747 54.840 -0.332 0.000 0.745 5018 L CB -0.962 40.863 42.059 -0.391 0.000 0.894 5018 L HN 0.435 nan 8.230 nan 0.000 0.432 5019 D N -0.784 119.152 120.400 -0.772 0.000 2.127 5019 D HA -0.245 4.387 4.640 -0.013 0.000 0.206 5019 D C 1.816 177.821 176.300 -0.492 0.000 0.989 5019 D CA 1.916 55.383 54.000 -0.888 0.000 0.877 5019 D CB -0.184 40.178 40.800 -0.730 0.000 1.042 5019 D HN 0.398 nan 8.370 nan 0.000 0.455 5020 D N -0.642 119.585 120.400 -0.288 0.000 2.569 5020 D HA -0.259 4.373 4.640 -0.013 0.000 0.191 5020 D C 1.663 177.857 176.300 -0.176 0.000 1.042 5020 D CA 1.614 55.512 54.000 -0.170 0.000 0.873 5020 D CB -0.511 40.241 40.800 -0.079 0.000 0.946 5020 D HN 0.381 nan 8.370 nan 0.000 0.467 5021 W N 2.008 123.135 121.300 -0.288 0.000 2.151 5021 W HA -0.250 4.402 4.660 -0.013 0.000 0.314 5021 W C 2.401 178.722 176.519 -0.330 0.000 1.142 5021 W CA 2.318 59.500 57.345 -0.271 0.000 1.127 5021 W CB -1.036 28.268 29.460 -0.259 0.000 1.180 5021 W HN 0.052 nan 8.180 nan 0.000 0.463 5022 L N 0.907 121.613 121.223 -0.860 0.000 2.369 5022 L HA -0.180 4.152 4.340 -0.013 0.000 0.220 5022 L C 1.759 178.020 176.870 -1.014 0.000 1.119 5022 L CA 2.033 56.094 54.840 -1.298 0.000 0.780 5022 L CB -1.786 39.827 42.059 -0.743 0.000 0.906 5022 L HN 0.161 nan 8.230 nan 0.000 0.442 5023 K N -0.323 119.633 120.400 -0.740 0.000 2.243 5023 K HA 0.110 4.422 4.320 -0.013 0.000 0.201 5023 K C 0.369 176.693 176.600 -0.459 0.000 1.051 5023 K CA 0.190 56.128 56.287 -0.582 0.000 0.970 5023 K CB 0.182 32.452 32.500 -0.383 0.000 0.755 5023 K HN 0.273 nan 8.250 nan 0.000 0.465 5024 R N 1.964 122.210 120.500 -0.424 0.000 2.254 5024 R HA 0.050 4.382 4.340 -0.013 0.000 0.318 5024 R C 0.231 176.380 176.300 -0.252 0.000 1.031 5024 R CA -0.096 55.848 56.100 -0.261 0.000 0.905 5024 R CB 0.859 31.053 30.300 -0.177 0.000 1.050 5024 R HN 0.167 nan 8.270 nan 0.000 0.456 5025 D N 2.868 123.195 120.400 -0.121 0.000 2.913 5025 D HA -0.332 4.300 4.640 -0.013 0.000 0.555 5025 D C 0.606 176.865 176.300 -0.069 0.000 0.581 5025 D CA 2.880 56.852 54.000 -0.047 0.000 1.517 5025 D CB -0.094 40.701 40.800 -0.009 0.000 0.270 5025 D HN 0.780 nan 8.370 nan 0.000 0.245 5026 R N 1.443 121.904 120.500 -0.064 0.000 3.314 5026 R HA -0.290 4.042 4.340 -0.013 0.000 0.243 5026 R C 0.915 177.290 176.300 0.125 0.000 0.954 5026 R CA 2.095 58.181 56.100 -0.023 0.000 0.645 5026 R CB -2.696 27.522 30.300 -0.136 0.000 1.022 5026 R HN 0.822 nan 8.270 nan 0.000 0.468 5027 F N -1.538 118.389 119.950 -0.039 0.000 2.534 5027 F HA -0.391 4.128 4.527 -0.013 0.000 0.744 5027 F C 0.118 175.935 175.800 0.030 0.000 0.486 5027 F CA 1.838 59.838 58.000 -0.001 0.000 0.741 5027 F CB -1.178 37.823 39.000 0.001 0.000 1.599 5027 F HN 0.058 nan 8.300 nan 0.000 0.276 5028 V N 3.791 123.569 119.914 -0.227 0.000 2.364 5028 V HA 0.054 4.166 4.120 -0.013 0.000 0.252 5028 V C 0.153 176.213 176.094 -0.057 0.000 1.075 5028 V CA 0.625 62.747 62.300 -0.296 0.000 1.033 5028 V CB -0.513 31.159 31.823 -0.252 0.000 1.116 5028 V HN 0.361 nan 8.190 nan 0.000 0.488 5029 F N 6.254 126.131 119.950 -0.123 0.000 2.646 5029 F HA 0.240 4.759 4.527 -0.013 0.000 0.363 5029 F C 0.182 175.941 175.800 -0.067 0.000 1.143 5029 F CA 0.482 58.415 58.000 -0.112 0.000 1.356 5029 F CB 0.597 39.538 39.000 -0.098 0.000 1.055 5029 F HN 0.261 nan 8.300 nan 0.000 0.606 5030 V N 5.471 124.906 119.914 -0.798 0.000 2.532 5030 V HA 0.635 4.747 4.120 -0.013 0.000 0.294 5030 V C 0.063 175.686 176.094 -0.784 0.000 1.036 5030 V CA -0.217 61.811 62.300 -0.452 0.000 0.876 5030 V CB 0.708 32.186 31.823 -0.576 0.000 1.012 5030 V HN 1.104 nan 8.190 nan 0.000 0.432 5031 G N 1.057 109.869 108.800 0.021 0.000 2.816 5031 G HA2 0.488 4.440 3.960 -0.013 0.000 0.288 5031 G HA3 0.488 4.440 3.960 -0.013 0.000 0.288 5031 G C 0.021 175.092 174.900 0.285 0.000 1.334 5031 G CA -0.731 44.453 45.100 0.140 0.000 0.978 5031 G HN 0.682 nan 8.290 nan 0.000 0.493 5032 W N 0.083 121.423 121.300 0.067 0.000 2.279 5032 W HA -0.284 4.368 4.660 -0.014 0.000 0.298 5032 W C 2.901 179.466 176.519 0.077 0.000 1.228 5032 W CA 1.530 58.902 57.345 0.044 0.000 1.230 5032 W CB 0.255 29.753 29.460 0.063 0.000 1.138 5032 W HN 0.623 nan 8.180 nan 0.000 0.532 5033 S N -0.400 115.525 115.700 0.376 0.000 2.325 5033 S HA -0.078 4.384 4.470 -0.013 0.000 0.213 5033 S C 2.090 176.834 174.600 0.239 0.000 1.031 5033 S CA 1.081 59.425 58.200 0.240 0.000 0.984 5033 S CB -1.592 61.714 63.200 0.176 0.000 0.939 5033 S HN 0.322 nan 8.310 nan 0.000 0.438 5034 G N 3.119 112.102 108.800 0.305 0.000 2.817 5034 G HA2 -0.334 3.618 3.960 -0.013 0.000 0.226 5034 G HA3 -0.334 3.618 3.960 -0.013 0.000 0.226 5034 G C 1.337 176.414 174.900 0.294 0.000 1.115 5034 G CA 1.627 46.961 45.100 0.391 0.000 0.750 5034 G HN 0.648 nan 8.290 nan 0.000 0.637 5035 I N 0.566 121.260 120.570 0.207 0.000 2.300 5035 I HA -0.217 3.945 4.170 -0.013 0.000 0.252 5035 I C 2.624 178.803 176.117 0.103 0.000 1.119 5035 I CA 1.759 63.144 61.300 0.141 0.000 1.384 5035 I CB -0.370 37.712 38.000 0.137 0.000 1.062 5035 I HN 0.439 nan 8.210 nan 0.000 0.426 5036 L N -1.329 119.960 121.223 0.109 0.000 2.609 5036 L HA 0.204 4.536 4.340 -0.013 0.000 0.230 5036 L C 2.183 179.114 176.870 0.102 0.000 1.064 5036 L CA 0.289 55.163 54.840 0.057 0.000 0.873 5036 L CB -0.015 42.056 42.059 0.022 0.000 1.139 5036 L HN 0.089 nan 8.230 nan 0.000 0.490 5037 L N 0.482 121.794 121.223 0.148 0.000 1.973 5037 L HA -0.032 4.300 4.340 -0.013 0.000 0.208 5037 L C 2.325 179.258 176.870 0.105 0.000 1.073 5037 L CA 2.080 56.992 54.840 0.121 0.000 0.746 5037 L CB -0.769 41.351 42.059 0.101 0.000 0.891 5037 L HN 0.150 nan 8.230 nan 0.000 0.433 5038 F N 0.602 120.599 119.950 0.079 0.000 2.065 5038 F HA -0.161 4.359 4.527 -0.013 0.000 0.298 5038 F C -0.285 175.566 175.800 0.085 0.000 1.112 5038 F CA 2.655 60.700 58.000 0.075 0.000 1.212 5038 F CB -1.857 37.164 39.000 0.035 0.000 0.975 5038 F HN 0.254 nan 8.300 nan 0.000 0.476 5039 P HA -0.135 nan 4.420 nan 0.000 0.213 5039 P C 1.749 179.121 177.300 0.120 0.000 1.170 5039 P CA 2.063 65.252 63.100 0.149 0.000 0.893 5039 P CB -0.362 31.371 31.700 0.055 0.000 0.784 5040 C N 0.616 119.937 119.300 0.035 0.000 2.413 5040 C HA -0.050 4.402 4.460 -0.013 0.000 0.278 5040 C C 3.259 178.306 174.990 0.096 0.000 1.224 5040 C CA 1.476 60.492 59.018 -0.005 0.000 1.732 5040 C CB -1.894 25.877 27.740 0.052 0.000 2.050 5040 C HN 0.279 nan 8.230 nan 0.000 0.463 5041 A N -0.715 122.162 122.820 0.094 0.000 1.948 5041 A HA -0.252 4.060 4.320 -0.013 0.000 0.220 5041 A C 1.982 179.642 177.584 0.127 0.000 1.177 5041 A CA 2.151 54.225 52.037 0.061 0.000 0.636 5041 A CB -0.965 18.027 19.000 -0.014 0.000 0.815 5041 A HN 0.697 nan 8.150 nan 0.000 0.449 5042 Y N 0.709 121.048 120.300 0.065 0.000 2.060 5042 Y HA -0.192 4.350 4.550 -0.013 0.000 0.276 5042 Y C 2.140 178.136 175.900 0.160 0.000 1.127 5042 Y CA 1.885 60.053 58.100 0.112 0.000 1.104 5042 Y CB -0.546 38.004 38.460 0.151 0.000 0.983 5042 Y HN 0.207 nan 8.280 nan 0.000 0.483 5043 L N 0.119 121.541 121.223 0.331 0.000 2.054 5043 L HA -0.393 3.939 4.340 -0.013 0.000 0.220 5043 L C 2.703 179.758 176.870 0.309 0.000 1.081 5043 L CA 1.752 56.804 54.840 0.353 0.000 0.780 5043 L CB -1.839 40.500 42.059 0.467 0.000 0.893 5043 L HN 0.447 nan 8.230 nan 0.000 0.438 5044 A N 0.365 123.319 122.820 0.224 0.000 1.859 5044 A HA -0.278 4.034 4.320 -0.013 0.000 0.217 5044 A C 2.288 179.950 177.584 0.130 0.000 1.198 5044 A CA 2.248 54.384 52.037 0.166 0.000 0.629 5044 A CB -0.924 18.128 19.000 0.087 0.000 0.830 5044 A HN 0.357 nan 8.150 nan 0.000 0.446 5045 L N -0.094 121.165 121.223 0.060 0.000 2.013 5045 L HA -0.102 4.230 4.340 -0.013 0.000 0.212 5045 L C 2.469 179.380 176.870 0.069 0.000 1.073 5045 L CA 2.468 57.351 54.840 0.072 0.000 0.753 5045 L CB -0.948 41.108 42.059 -0.004 0.000 0.890 5045 L HN 0.365 nan 8.230 nan 0.000 0.432 5046 G N -1.314 107.441 108.800 -0.074 0.000 2.453 5046 G HA2 -0.227 3.725 3.960 -0.013 0.000 0.215 5046 G HA3 -0.227 3.725 3.960 -0.013 0.000 0.215 5046 G C 1.568 176.468 174.900 -0.000 0.000 1.201 5046 G CA 0.632 45.680 45.100 -0.085 0.000 0.784 5046 G HN 0.601 nan 8.290 nan 0.000 0.545 5047 G N 0.045 108.921 108.800 0.126 0.000 2.606 5047 G HA2 -0.351 3.601 3.960 -0.013 0.000 0.221 5047 G HA3 -0.351 3.601 3.960 -0.013 0.000 0.221 5047 G C 1.631 176.497 174.900 -0.057 0.000 1.152 5047 G CA 1.337 46.484 45.100 0.079 0.000 0.765 5047 G HN 0.535 nan 8.290 nan 0.000 0.595 5048 W N 0.969 122.189 121.300 -0.135 0.000 2.407 5048 W HA 0.177 4.829 4.660 -0.012 0.000 0.305 5048 W C 2.339 178.776 176.519 -0.137 0.000 1.196 5048 W CA 0.972 58.214 57.345 -0.171 0.000 1.311 5048 W CB -0.465 28.935 29.460 -0.100 0.000 1.135 5048 W HN 0.144 nan 8.180 nan 0.000 0.514 5049 L N 0.731 121.719 121.223 -0.391 0.000 1.970 5049 L HA -0.306 4.026 4.340 -0.013 0.000 0.212 5049 L C 2.860 179.374 176.870 -0.594 0.000 1.071 5049 L CA 2.819 57.279 54.840 -0.633 0.000 0.751 5049 L CB -1.575 40.353 42.059 -0.218 0.000 0.889 5049 L HN 0.107 nan 8.230 nan 0.000 0.432 5050 T N -2.146 112.179 114.554 -0.381 0.000 2.653 5050 T HA -0.240 4.102 4.350 -0.013 0.000 0.268 5050 T C 1.918 176.370 174.700 -0.412 0.000 1.035 5050 T CA 1.315 63.202 62.100 -0.355 0.000 1.154 5050 T CB -1.529 67.257 68.868 -0.136 0.000 0.862 5050 T HN 0.477 nan 8.240 nan 0.000 0.441 5051 G N 2.049 110.603 108.800 -0.410 0.000 2.514 5051 G HA2 -0.295 3.657 3.960 -0.013 0.000 0.217 5051 G HA3 -0.295 3.657 3.960 -0.013 0.000 0.217 5051 G C 1.933 176.542 174.900 -0.485 0.000 1.198 5051 G CA 2.369 47.235 45.100 -0.389 0.000 0.780 5051 G HN 0.728 nan 8.290 nan 0.000 0.565 5052 T N -0.617 113.495 114.554 -0.736 0.000 2.759 5052 T HA -0.178 4.164 4.350 -0.013 0.000 0.269 5052 T C 2.343 176.418 174.700 -1.042 0.000 1.042 5052 T CA 2.553 64.112 62.100 -0.902 0.000 1.140 5052 T CB -0.902 67.279 68.868 -1.145 0.000 0.864 5052 T HN 0.385 nan 8.240 nan 0.000 0.455 5053 T N -0.649 113.463 114.554 -0.737 0.000 2.852 5053 T HA 0.259 4.601 4.350 -0.013 0.000 0.256 5053 T C 1.597 176.176 174.700 -0.202 0.000 1.038 5053 T CA 0.592 62.429 62.100 -0.437 0.000 1.141 5053 T CB -0.433 67.962 68.868 -0.789 0.000 0.869 5053 T HN 0.577 nan 8.240 nan 0.000 0.439 5054 F N 0.553 120.435 119.950 -0.113 0.000 2.577 5054 F HA 0.375 4.894 4.527 -0.013 0.000 0.276 5054 F C 0.695 176.426 175.800 -0.115 0.000 1.032 5054 F CA -0.765 57.186 58.000 -0.082 0.000 1.297 5054 F CB 0.395 39.362 39.000 -0.055 0.000 1.061 5054 F HN -0.173 nan 8.300 nan 0.000 0.680 5055 V N 1.618 121.533 119.914 0.003 0.000 2.740 5055 V HA 0.045 4.157 4.120 -0.013 0.000 0.303 5055 V C 0.538 176.591 176.094 -0.067 0.000 1.054 5055 V CA 0.182 62.438 62.300 -0.074 0.000 1.106 5055 V CB 1.174 32.900 31.823 -0.161 0.000 0.957 5055 V HN 0.166 nan 8.190 nan 0.000 0.486 5056 T N 2.154 116.694 114.554 -0.024 0.000 2.912 5056 T HA 0.404 4.746 4.350 -0.013 0.000 0.280 5056 T C 0.676 175.400 174.700 0.040 0.000 0.989 5056 T CA 0.096 62.219 62.100 0.038 0.000 0.995 5056 T CB 1.355 70.299 68.868 0.126 0.000 1.077 5056 T HN 0.951 nan 8.240 nan 0.000 0.531 5057 S N 1.208 116.955 115.700 0.079 0.000 2.937 5057 S HA 0.101 4.563 4.470 -0.013 0.000 0.252 5057 S C 1.230 175.924 174.600 0.157 0.000 1.022 5057 S CA -0.679 57.553 58.200 0.054 0.000 1.079 5057 S CB -0.189 62.962 63.200 -0.081 0.000 1.035 5057 S HN 0.798 nan 8.310 nan 0.000 0.594 5058 W N 2.737 124.042 121.300 0.008 0.000 2.355 5058 W HA -0.089 4.563 4.660 -0.013 0.000 0.309 5058 W C 0.458 176.900 176.519 -0.128 0.000 1.206 5058 W CA 0.953 58.243 57.345 -0.092 0.000 1.284 5058 W CB -0.716 28.600 29.460 -0.241 0.000 1.145 5058 W HN 0.480 nan 8.180 nan 0.000 0.502 5059 Y N 1.236 121.813 120.300 0.463 0.000 2.751 5059 Y HA -0.135 4.407 4.550 -0.013 0.000 0.310 5059 Y C 2.465 178.482 175.900 0.195 0.000 1.176 5059 Y CA 1.798 60.100 58.100 0.336 0.000 1.360 5059 Y CB -0.759 37.807 38.460 0.177 0.000 0.999 5059 Y HN 0.028 nan 8.280 nan 0.000 0.532 5060 T N -6.422 108.299 114.554 0.278 0.000 3.057 5060 T HA 0.087 4.429 4.350 -0.013 0.000 0.254 5060 T C 0.845 175.724 174.700 0.298 0.000 0.965 5060 T CA 0.344 62.617 62.100 0.288 0.000 0.978 5060 T CB 0.000 69.054 68.868 0.310 0.000 1.169 5060 T HN 0.220 nan 8.240 nan 0.000 0.489 5061 H N 0.430 119.510 119.070 0.018 0.000 3.233 5061 H HA 0.556 5.104 4.556 -0.013 0.000 0.263 5061 H C 1.566 176.756 175.328 -0.230 0.000 1.168 5061 H CA -0.503 55.536 56.048 -0.016 0.000 1.159 5061 H CB 0.634 30.372 29.762 -0.039 0.000 1.593 5061 H HN 0.525 nan 8.280 nan 0.000 0.580 5062 G N 1.220 109.805 108.800 -0.359 0.000 2.283 5062 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.280 5062 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.280 5062 G C -0.116 174.350 174.900 -0.723 0.000 1.029 5062 G CA 0.662 45.139 45.100 -1.037 0.000 0.840 5062 G HN 0.397 nan 8.290 nan 0.000 0.505 5063 L N -0.119 120.913 121.223 -0.318 0.000 2.386 5063 L HA 0.774 5.106 4.340 -0.013 0.000 0.271 5063 L C 0.576 177.421 176.870 -0.041 0.000 0.993 5063 L CA -0.776 53.971 54.840 -0.155 0.000 0.819 5063 L CB 1.793 43.810 42.059 -0.070 0.000 1.294 5063 L HN 0.316 nan 8.230 nan 0.000 0.414 5064 A N 2.125 124.950 122.820 0.008 0.000 2.404 5064 A HA 0.407 4.719 4.320 -0.013 0.000 0.273 5064 A C 0.496 178.075 177.584 -0.009 0.000 1.144 5064 A CA 0.201 52.274 52.037 0.060 0.000 0.806 5064 A CB 0.194 19.244 19.000 0.084 0.000 1.080 5064 A HN 0.750 nan 8.150 nan 0.000 0.509 5065 S N 1.193 116.877 115.700 -0.027 0.000 2.661 5065 S HA 0.511 4.973 4.470 -0.013 0.000 0.245 5065 S C -0.079 174.423 174.600 -0.163 0.000 1.117 5065 S CA 0.184 58.324 58.200 -0.100 0.000 1.091 5065 S CB -0.266 62.862 63.200 -0.120 0.000 0.887 5065 S HN 1.148 nan 8.310 nan 0.000 0.491 5066 S N -0.274 115.348 115.700 -0.130 0.000 2.533 5066 S HA 0.548 5.010 4.470 -0.013 0.000 0.271 5066 S C 0.081 174.630 174.600 -0.085 0.000 1.143 5066 S CA -0.562 57.516 58.200 -0.204 0.000 0.891 5066 S CB 0.518 63.656 63.200 -0.104 0.000 1.105 5066 S HN 0.181 nan 8.310 nan 0.000 0.468 5067 Y N 2.629 122.922 120.300 -0.011 0.000 2.102 5067 Y HA -0.136 4.405 4.550 -0.014 0.000 0.280 5067 Y C 2.291 178.223 175.900 0.053 0.000 1.178 5067 Y CA 1.784 59.896 58.100 0.019 0.000 1.146 5067 Y CB -0.788 37.675 38.460 0.005 0.000 0.968 5067 Y HN 0.665 nan 8.280 nan 0.000 0.504 5068 L N 0.644 122.015 121.223 0.246 0.000 2.137 5068 L HA -0.251 4.081 4.340 -0.013 0.000 0.213 5068 L C 1.869 178.808 176.870 0.115 0.000 1.085 5068 L CA 1.971 56.925 54.840 0.190 0.000 0.760 5068 L CB -0.540 41.650 42.059 0.219 0.000 0.893 5068 L HN 0.300 nan 8.230 nan 0.000 0.434 5069 E N -1.409 118.848 120.200 0.094 0.000 2.371 5069 E HA 0.135 4.477 4.350 -0.013 0.000 0.194 5069 E C 1.546 178.196 176.600 0.083 0.000 1.012 5069 E CA 0.614 57.061 56.400 0.077 0.000 0.860 5069 E CB 0.124 29.868 29.700 0.073 0.000 0.811 5069 E HN 0.670 nan 8.360 nan 0.000 0.502 5070 G N 0.802 109.662 108.800 0.101 0.000 2.296 5070 G HA2 -0.221 3.731 3.960 -0.013 0.000 0.188 5070 G HA3 -0.221 3.731 3.960 -0.013 0.000 0.188 5070 G C 0.517 175.486 174.900 0.114 0.000 1.000 5070 G CA -0.222 44.939 45.100 0.102 0.000 0.672 5070 G HN 0.266 nan 8.290 nan 0.000 0.483 5071 C N 1.959 121.321 119.300 0.103 0.000 2.746 5071 C HA 0.485 4.937 4.460 -0.013 0.000 0.403 5071 C C 1.244 176.352 174.990 0.197 0.000 1.270 5071 C CA 0.676 59.749 59.018 0.093 0.000 1.978 5071 C CB -0.257 27.486 27.740 0.006 0.000 2.724 5071 C HN 0.906 nan 8.230 nan 0.000 0.678 5072 N N -0.107 118.702 118.700 0.182 0.000 2.725 5072 N HA 0.382 5.114 4.740 -0.013 0.000 0.312 5072 N C 0.479 176.217 175.510 0.380 0.000 1.295 5072 N CA -0.738 52.474 53.050 0.270 0.000 0.914 5072 N CB -0.054 38.543 38.487 0.183 0.000 1.177 5072 N HN 0.443 nan 8.380 nan 0.000 0.601 5073 F N -0.007 120.087 119.950 0.241 0.000 2.069 5073 F HA 0.078 4.596 4.527 -0.014 0.000 0.298 5073 F C 1.445 177.337 175.800 0.153 0.000 1.113 5073 F CA 1.424 59.582 58.000 0.264 0.000 1.214 5073 F CB -0.518 38.586 39.000 0.174 0.000 0.978 5073 F HN 0.388 nan 8.300 nan 0.000 0.474 5074 L N -0.720 120.495 121.223 -0.014 0.000 2.465 5074 L HA -0.113 4.219 4.340 -0.013 0.000 0.224 5074 L C 1.946 178.712 176.870 -0.174 0.000 1.145 5074 L CA 1.099 55.814 54.840 -0.210 0.000 0.834 5074 L CB -0.904 41.127 42.059 -0.046 0.000 0.944 5074 L HN 0.199 nan 8.230 nan 0.000 0.451 5075 T N -0.886 113.629 114.554 -0.065 0.000 2.988 5075 T HA 0.049 4.391 4.350 -0.013 0.000 0.240 5075 T C 0.815 175.458 174.700 -0.096 0.000 1.014 5075 T CA 0.141 62.203 62.100 -0.063 0.000 1.155 5075 T CB 0.046 68.913 68.868 -0.001 0.000 0.872 5075 T HN 0.134 nan 8.240 nan 0.000 0.440 5076 V N 1.492 121.347 119.914 -0.099 0.000 2.752 5076 V HA 0.532 4.644 4.120 -0.013 0.000 0.306 5076 V C -0.118 175.904 176.094 -0.120 0.000 1.099 5076 V CA -0.852 61.328 62.300 -0.200 0.000 1.240 5076 V CB -0.715 30.838 31.823 -0.451 0.000 0.887 5076 V HN 0.507 nan 8.190 nan 0.000 0.499 5077 A N 3.428 126.175 122.820 -0.121 0.000 2.599 5077 A HA 0.635 4.947 4.320 -0.013 0.000 0.294 5077 A C -0.637 176.922 177.584 -0.041 0.000 1.055 5077 A CA 0.022 52.067 52.037 0.013 0.000 0.683 5077 A CB 1.825 20.820 19.000 -0.007 0.000 1.278 5077 A HN 1.959 nan 8.150 nan 0.000 0.412 5078 V N 3.703 123.659 119.914 0.070 0.000 2.096 5078 V HA 0.424 4.536 4.120 -0.013 0.000 0.259 5078 V C 1.060 177.200 176.094 0.077 0.000 1.420 5078 V CA 0.973 63.258 62.300 -0.025 0.000 1.336 5078 V CB -1.618 30.138 31.823 -0.113 0.000 1.394 5078 V HN 2.182 nan 8.190 nan 0.000 0.494 5079 S N 3.763 119.440 115.700 -0.038 0.000 4.030 5079 S HA -0.303 4.159 4.470 -0.013 0.000 0.538 5079 S C 0.674 175.266 174.600 -0.014 0.000 1.208 5079 S CA 1.479 59.586 58.200 -0.155 0.000 3.559 5079 S CB -1.326 61.778 63.200 -0.160 0.000 2.148 5079 S HN 2.203 nan 8.310 nan 0.000 0.632 5080 T N 0.461 114.944 114.554 -0.118 0.000 3.404 5080 T HA 0.405 4.747 4.350 -0.013 0.000 0.436 5080 T C -3.501 171.014 174.700 -0.309 0.000 1.532 5080 T CA -0.481 61.361 62.100 -0.429 0.000 1.062 5080 T CB 0.533 69.097 68.868 -0.507 0.000 1.549 5080 T HN 0.523 nan 8.240 nan 0.000 0.449 5081 P HA 0.357 nan 4.420 nan 0.000 0.261 5081 P C -0.050 177.309 177.300 0.099 0.000 1.183 5081 P CA 0.176 63.234 63.100 -0.071 0.000 0.761 5081 P CB 0.233 31.907 31.700 -0.044 0.000 0.785 5082 A N 3.865 126.782 122.820 0.162 0.000 2.547 5082 A HA -0.091 4.221 4.320 -0.013 0.000 0.233 5082 A C 1.577 179.164 177.584 0.005 0.000 1.067 5082 A CA 0.113 52.275 52.037 0.209 0.000 0.763 5082 A CB -0.217 18.836 19.000 0.088 0.000 1.007 5082 A HN 0.582 nan 8.150 nan 0.000 0.506 5083 N N 0.409 118.883 118.700 -0.376 0.000 2.635 5083 N HA -0.081 4.651 4.740 -0.013 0.000 0.191 5083 N C 1.131 176.436 175.510 -0.342 0.000 1.155 5083 N CA 1.081 53.748 53.050 -0.639 0.000 0.927 5083 N CB -0.064 37.458 38.487 -1.608 0.000 0.976 5083 N HN 0.593 nan 8.380 nan 0.000 0.448 5084 S N -0.178 115.414 115.700 -0.179 0.000 2.446 5084 S HA 0.057 4.519 4.470 -0.013 0.000 0.225 5084 S C 1.730 176.304 174.600 -0.042 0.000 1.016 5084 S CA 0.349 58.492 58.200 -0.096 0.000 0.943 5084 S CB 0.219 63.391 63.200 -0.046 0.000 0.786 5084 S HN 0.217 nan 8.310 nan 0.000 0.508 5085 M N 0.862 120.457 119.600 -0.008 0.000 2.216 5085 M HA 0.243 4.715 4.480 -0.013 0.000 0.264 5085 M C 1.707 178.045 176.300 0.064 0.000 1.080 5085 M CA 1.136 56.467 55.300 0.052 0.000 1.153 5085 M CB -0.887 31.776 32.600 0.105 0.000 1.356 5085 M HN 0.441 nan 8.290 nan 0.000 0.432 5086 G N -0.787 108.039 108.800 0.044 0.000 2.596 5086 G HA2 -0.299 3.653 3.960 -0.013 0.000 0.258 5086 G HA3 -0.299 3.653 3.960 -0.013 0.000 0.258 5086 G C 0.317 175.306 174.900 0.148 0.000 1.207 5086 G CA 0.306 45.443 45.100 0.060 0.000 0.954 5086 G HN 0.476 nan 8.290 nan 0.000 0.551 5087 H N 1.298 120.228 119.070 -0.234 0.000 2.652 5087 H HA 0.503 5.051 4.556 -0.013 0.000 0.274 5087 H C 1.769 177.347 175.328 0.415 0.000 1.021 5087 H CA 0.481 56.287 56.048 -0.403 0.000 1.187 5087 H CB -0.001 29.473 29.762 -0.480 0.000 1.505 5087 H HN 0.760 nan 8.280 nan 0.000 0.530 5088 S N 1.186 117.130 115.700 0.407 0.000 2.593 5088 S HA -0.072 4.390 4.470 -0.013 0.000 0.300 5088 S C 1.305 176.165 174.600 0.435 0.000 1.267 5088 S CA -0.360 58.045 58.200 0.342 0.000 1.065 5088 S CB 0.306 63.632 63.200 0.211 0.000 0.807 5088 S HN 0.331 nan 8.310 nan 0.000 0.499 5089 L N 3.335 124.758 121.223 0.333 0.000 2.551 5089 L HA 0.036 4.368 4.340 -0.013 0.000 0.230 5089 L C 1.160 178.096 176.870 0.111 0.000 1.163 5089 L CA 0.290 55.258 54.840 0.213 0.000 0.826 5089 L CB -1.210 40.953 42.059 0.174 0.000 0.943 5089 L HN 0.810 nan 8.230 nan 0.000 0.452 5090 L N 0.515 121.819 121.223 0.136 0.000 3.592 5090 L HA -0.224 4.108 4.340 -0.013 0.000 0.633 5090 L C -0.482 176.469 176.870 0.134 0.000 1.071 5090 L CA 0.426 55.333 54.840 0.112 0.000 1.090 5090 L CB -0.599 41.500 42.059 0.066 0.000 1.328 5090 L HN -0.016 nan 8.230 nan 0.000 0.786 5091 L N 3.762 124.986 121.223 0.001 0.000 2.350 5091 L HA 0.266 4.598 4.340 -0.013 0.000 0.275 5091 L C 1.325 178.018 176.870 -0.295 0.000 1.099 5091 L CA 0.463 55.115 54.840 -0.314 0.000 0.808 5091 L CB 1.201 42.819 42.059 -0.735 0.000 1.149 5091 L HN 0.704 nan 8.230 nan 0.000 0.442 5092 L N 2.829 123.629 121.223 -0.705 0.000 2.043 5092 L HA -0.171 4.161 4.340 -0.013 0.000 0.212 5092 L C 1.400 178.088 176.870 -0.304 0.000 1.075 5092 L CA 1.960 56.203 54.840 -0.994 0.000 0.752 5092 L CB -0.382 40.999 42.059 -1.131 0.000 0.891 5092 L HN 0.840 nan 8.230 nan 0.000 0.432 5093 W N -0.982 120.272 121.300 -0.076 0.000 3.239 5093 W HA 0.598 5.250 4.660 -0.013 0.000 0.348 5093 W C 0.833 177.381 176.519 0.048 0.000 1.183 5093 W CA -0.542 56.795 57.345 -0.014 0.000 1.819 5093 W CB -1.456 27.989 29.460 -0.025 0.000 1.091 5093 W HN 0.091 nan 8.180 nan 0.000 0.629 5094 G N 1.650 110.358 108.800 -0.154 0.000 2.539 5094 G HA2 0.267 4.219 3.960 -0.013 0.000 0.258 5094 G HA3 0.267 4.219 3.960 -0.013 0.000 0.258 5094 G C -1.483 173.465 174.900 0.080 0.000 1.202 5094 G CA -0.983 44.112 45.100 -0.007 0.000 0.851 5094 G HN -0.184 nan 8.290 nan 0.000 0.556 5095 P HA -0.248 nan 4.420 nan 0.000 0.220 5095 P C 1.900 179.249 177.300 0.081 0.000 1.155 5095 P CA 1.916 65.069 63.100 0.089 0.000 0.880 5095 P CB 0.229 31.978 31.700 0.081 0.000 0.790 5096 E N -0.313 119.935 120.200 0.081 0.000 2.017 5096 E HA -0.170 4.172 4.350 -0.013 0.000 0.193 5096 E C 1.989 178.646 176.600 0.096 0.000 0.997 5096 E CA 2.005 58.454 56.400 0.081 0.000 0.804 5096 E CB -1.368 28.381 29.700 0.083 0.000 0.757 5096 E HN 0.213 nan 8.360 nan 0.000 0.448 5097 A N 0.270 123.172 122.820 0.136 0.000 1.943 5097 A HA -0.029 4.283 4.320 -0.013 0.000 0.213 5097 A C 0.855 178.529 177.584 0.150 0.000 1.181 5097 A CA 0.757 52.904 52.037 0.183 0.000 0.653 5097 A CB -0.226 19.003 19.000 0.381 0.000 0.833 5097 A HN 0.311 nan 8.150 nan 0.000 0.451 5098 Q N -1.610 118.269 119.800 0.131 0.000 2.457 5098 Q HA -0.151 4.181 4.340 -0.013 0.000 0.333 5098 Q C 0.516 176.594 176.000 0.130 0.000 1.448 5098 Q CA 0.253 56.133 55.803 0.128 0.000 0.891 5098 Q CB -2.363 26.437 28.738 0.102 0.000 1.142 5098 Q HN 1.574 nan 8.270 nan 0.000 0.375 5099 G N 1.539 110.418 108.800 0.132 0.000 2.385 5099 G HA2 -0.288 3.664 3.960 -0.013 0.000 0.284 5099 G HA3 -0.288 3.664 3.960 -0.013 0.000 0.284 5099 G C -0.192 174.781 174.900 0.122 0.000 0.899 5099 G CA 0.734 45.896 45.100 0.104 0.000 1.204 5099 G HN 0.604 nan 8.290 nan 0.000 0.486 5100 D N -0.108 120.394 120.400 0.170 0.000 2.634 5100 D HA 0.180 4.812 4.640 -0.013 0.000 0.318 5100 D C 1.276 177.737 176.300 0.268 0.000 1.226 5100 D CA -0.992 53.114 54.000 0.176 0.000 0.899 5100 D CB -0.307 40.568 40.800 0.125 0.000 1.025 5100 D HN 0.115 nan 8.370 nan 0.000 0.501 5101 F N 1.481 121.505 119.950 0.122 0.000 2.350 5101 F HA -0.294 4.225 4.527 -0.013 0.000 0.297 5101 F C 1.627 177.549 175.800 0.203 0.000 1.030 5101 F CA 1.892 60.013 58.000 0.202 0.000 1.446 5101 F CB -0.223 38.836 39.000 0.099 0.000 1.121 5101 F HN 0.211 nan 8.300 nan 0.000 0.578 5102 T N -2.939 111.611 114.554 -0.007 0.000 3.045 5102 T HA 0.086 4.428 4.350 -0.013 0.000 0.239 5102 T C 2.088 176.709 174.700 -0.133 0.000 1.008 5102 T CA 0.016 62.014 62.100 -0.169 0.000 1.143 5102 T CB -0.112 68.696 68.868 -0.100 0.000 0.894 5102 T HN 0.064 nan 8.240 nan 0.000 0.451 5103 R N 0.521 120.998 120.500 -0.037 0.000 2.066 5103 R HA 0.045 4.377 4.340 -0.013 0.000 0.232 5103 R C 2.025 178.321 176.300 -0.006 0.000 1.131 5103 R CA 1.155 57.222 56.100 -0.055 0.000 0.955 5103 R CB -1.148 29.151 30.300 -0.001 0.000 0.851 5103 R HN 0.559 nan 8.270 nan 0.000 0.432 5104 W N 0.747 122.007 121.300 -0.066 0.000 2.364 5104 W HA -0.215 4.437 4.660 -0.013 0.000 0.281 5104 W C 2.111 178.575 176.519 -0.092 0.000 1.219 5104 W CA 0.869 58.192 57.345 -0.036 0.000 1.220 5104 W CB -0.307 29.182 29.460 0.048 0.000 1.127 5104 W HN 0.115 nan 8.180 nan 0.000 0.556 5105 C N 0.345 119.554 119.300 -0.152 0.000 2.495 5105 C HA 0.015 4.467 4.460 -0.013 0.000 0.275 5105 C C 2.497 177.283 174.990 -0.340 0.000 1.392 5105 C CA 1.214 59.986 59.018 -0.410 0.000 1.766 5105 C CB -0.981 26.442 27.740 -0.528 0.000 1.933 5105 C HN 0.442 nan 8.230 nan 0.000 0.519 5106 Q N -0.068 119.581 119.800 -0.251 0.000 2.123 5106 Q HA 0.111 4.443 4.340 -0.013 0.000 0.196 5106 Q C 1.619 177.543 176.000 -0.127 0.000 0.958 5106 Q CA 0.941 56.626 55.803 -0.198 0.000 0.841 5106 Q CB -0.085 28.463 28.738 -0.317 0.000 0.915 5106 Q HN 0.609 nan 8.270 nan 0.000 0.455 5107 L N 0.128 121.259 121.223 -0.153 0.000 2.737 5107 L HA 0.040 4.372 4.340 -0.013 0.000 0.246 5107 L C 1.219 177.999 176.870 -0.150 0.000 1.153 5107 L CA 0.516 55.299 54.840 -0.095 0.000 0.920 5107 L CB -0.871 41.144 42.059 -0.074 0.000 1.090 5107 L HN 0.467 nan 8.230 nan 0.000 0.430 5108 G N -0.083 108.589 108.800 -0.213 0.000 5.045 5108 G HA2 -0.362 3.590 3.960 -0.013 0.000 0.229 5108 G HA3 -0.362 3.590 3.960 -0.013 0.000 0.229 5108 G C 1.037 175.663 174.900 -0.458 0.000 1.440 5108 G CA 0.097 45.058 45.100 -0.231 0.000 0.936 5108 G HN 0.548 nan 8.290 nan 0.000 0.690 5109 G N 1.000 109.495 108.800 -0.509 0.000 3.847 5109 G HA2 -0.358 3.594 3.960 -0.013 0.000 0.360 5109 G HA3 -0.358 3.594 3.960 -0.013 0.000 0.360 5109 G C 1.633 176.202 174.900 -0.552 0.000 1.945 5109 G CA 2.558 47.196 45.100 -0.770 0.000 2.104 5109 G HN 1.665 nan 8.290 nan 0.000 0.891 5110 L N -0.417 120.314 121.223 -0.820 0.000 2.288 5110 L HA -0.179 4.153 4.340 -0.013 0.000 0.218 5110 L C 2.315 179.066 176.870 -0.198 0.000 1.088 5110 L CA 2.658 57.208 54.840 -0.483 0.000 0.786 5110 L CB -0.832 40.953 42.059 -0.455 0.000 0.889 5110 L HN 0.617 nan 8.230 nan 0.000 0.441 5111 W N 0.699 121.803 121.300 -0.326 0.000 2.233 5111 W HA -0.311 4.340 4.660 -0.014 0.000 0.321 5111 W C 2.952 179.350 176.519 -0.202 0.000 1.187 5111 W CA 3.084 60.266 57.345 -0.271 0.000 1.172 5111 W CB -0.801 28.552 29.460 -0.179 0.000 1.186 5111 W HN 0.310 nan 8.180 nan 0.000 0.456 5112 T N -0.797 113.936 114.554 0.299 0.000 2.718 5112 T HA -0.416 3.926 4.350 -0.013 0.000 0.266 5112 T C 1.545 176.248 174.700 0.004 0.000 1.033 5112 T CA 1.686 63.807 62.100 0.035 0.000 1.151 5112 T CB -1.369 67.441 68.868 -0.097 0.000 0.853 5112 T HN 0.310 nan 8.240 nan 0.000 0.466 5113 F N 2.135 122.006 119.950 -0.131 0.000 1.990 5113 F HA 0.023 4.542 4.527 -0.014 0.000 0.294 5113 F C 2.265 177.887 175.800 -0.296 0.000 1.177 5113 F CA 1.259 59.118 58.000 -0.236 0.000 1.167 5113 F CB -0.455 38.479 39.000 -0.110 0.000 0.971 5113 F HN 0.020 nan 8.300 nan 0.000 0.483 5114 I N 0.892 121.535 120.570 0.121 0.000 2.143 5114 I HA -0.446 3.716 4.170 -0.013 0.000 0.245 5114 I C 2.649 178.682 176.117 -0.140 0.000 1.068 5114 I CA 1.634 62.876 61.300 -0.096 0.000 1.326 5114 I CB -1.216 36.470 38.000 -0.523 0.000 1.028 5114 I HN 0.409 nan 8.210 nan 0.000 0.412 5115 A N 0.745 123.409 122.820 -0.259 0.000 1.858 5115 A HA -0.136 4.176 4.320 -0.013 0.000 0.216 5115 A C 2.327 179.961 177.584 0.083 0.000 1.190 5115 A CA 1.478 53.506 52.037 -0.016 0.000 0.617 5115 A CB -0.850 17.909 19.000 -0.403 0.000 0.827 5115 A HN 0.381 nan 8.150 nan 0.000 0.443 5116 L N -1.602 119.631 121.223 0.017 0.000 2.027 5116 L HA -0.187 4.145 4.340 -0.013 0.000 0.206 5116 L C 2.645 179.655 176.870 0.233 0.000 1.074 5116 L CA 1.576 56.471 54.840 0.091 0.000 0.745 5116 L CB -0.810 41.357 42.059 0.181 0.000 0.898 5116 L HN 0.550 nan 8.230 nan 0.000 0.433 5117 H N -0.818 118.280 119.070 0.046 0.000 2.319 5117 H HA -0.161 4.386 4.556 -0.013 0.000 0.299 5117 H C 2.204 177.593 175.328 0.103 0.000 1.092 5117 H CA 0.796 56.892 56.048 0.080 0.000 1.302 5117 H CB -0.111 29.483 29.762 -0.279 0.000 1.373 5117 H HN 0.419 nan 8.280 nan 0.000 0.497 5118 G N 0.788 109.669 108.800 0.134 0.000 2.514 5118 G HA2 -0.327 3.626 3.960 -0.013 0.000 0.217 5118 G HA3 -0.327 3.626 3.960 -0.013 0.000 0.217 5118 G C 1.946 176.740 174.900 -0.177 0.000 1.198 5118 G CA 1.121 46.202 45.100 -0.032 0.000 0.780 5118 G HN 0.493 nan 8.290 nan 0.000 0.565 5119 A N 0.090 122.827 122.820 -0.138 0.000 2.054 5119 A HA -0.065 4.247 4.320 -0.013 0.000 0.223 5119 A C 2.152 179.525 177.584 -0.352 0.000 1.169 5119 A CA 1.954 53.849 52.037 -0.236 0.000 0.655 5119 A CB -0.538 18.339 19.000 -0.204 0.000 0.812 5119 A HN 0.344 nan 8.150 nan 0.000 0.462 5120 F N -0.403 119.555 119.950 0.014 0.000 2.179 5120 F HA 0.147 4.667 4.527 -0.013 0.000 0.292 5120 F C 2.684 178.487 175.800 0.006 0.000 1.089 5120 F CA 0.592 58.606 58.000 0.023 0.000 1.295 5120 F CB -1.231 37.777 39.000 0.013 0.000 1.041 5120 F HN 0.249 nan 8.300 nan 0.000 0.487 5121 G N 1.422 110.309 108.800 0.143 0.000 2.597 5121 G HA2 -0.281 3.671 3.960 -0.013 0.000 0.222 5121 G HA3 -0.281 3.671 3.960 -0.013 0.000 0.222 5121 G C 1.630 176.570 174.900 0.066 0.000 1.135 5121 G CA 1.426 46.564 45.100 0.062 0.000 0.759 5121 G HN 0.145 nan 8.290 nan 0.000 0.595 5122 L N 0.542 121.765 121.223 -0.001 0.000 1.973 5122 L HA 0.047 4.379 4.340 -0.013 0.000 0.208 5122 L C 3.057 180.077 176.870 0.251 0.000 1.073 5122 L CA 1.136 56.060 54.840 0.139 0.000 0.746 5122 L CB -1.585 40.464 42.059 -0.017 0.000 0.891 5122 L HN 0.251 nan 8.230 nan 0.000 0.433 5123 I N 0.326 121.005 120.570 0.182 0.000 2.091 5123 I HA -0.324 3.838 4.170 -0.013 0.000 0.240 5123 I C 2.684 178.927 176.117 0.210 0.000 1.046 5123 I CA 1.830 63.260 61.300 0.216 0.000 1.306 5123 I CB -1.136 37.000 38.000 0.226 0.000 1.018 5123 I HN 0.360 nan 8.210 nan 0.000 0.404 5124 G N 0.487 109.407 108.800 0.200 0.000 2.491 5124 G HA2 -0.343 3.609 3.960 -0.013 0.000 0.218 5124 G HA3 -0.343 3.609 3.960 -0.013 0.000 0.218 5124 G C 1.617 176.579 174.900 0.103 0.000 1.180 5124 G CA 1.075 46.270 45.100 0.157 0.000 0.774 5124 G HN 0.402 nan 8.290 nan 0.000 0.562 5125 F N 0.900 120.804 119.950 -0.076 0.000 2.126 5125 F HA -0.029 4.490 4.527 -0.013 0.000 0.299 5125 F C 2.612 178.211 175.800 -0.336 0.000 1.096 5125 F CA 2.094 59.959 58.000 -0.226 0.000 1.255 5125 F CB -0.155 38.652 39.000 -0.322 0.000 0.997 5125 F HN 0.172 nan 8.300 nan 0.000 0.479 5126 M N -0.074 119.467 119.600 -0.098 0.000 2.117 5126 M HA -0.199 4.273 4.480 -0.013 0.000 0.262 5126 M C 2.053 178.290 176.300 -0.105 0.000 1.065 5126 M CA 1.834 57.014 55.300 -0.201 0.000 1.114 5126 M CB -0.337 32.373 32.600 0.182 0.000 1.361 5126 M HN 0.324 nan 8.290 nan 0.000 0.408 5127 L N -0.332 120.945 121.223 0.089 0.000 1.971 5127 L HA -0.292 4.040 4.340 -0.013 0.000 0.215 5127 L C 2.659 179.549 176.870 0.033 0.000 1.072 5127 L CA 1.711 56.673 54.840 0.203 0.000 0.758 5127 L CB -0.989 41.159 42.059 0.148 0.000 0.889 5127 L HN 0.310 nan 8.230 nan 0.000 0.433 5128 R N -0.127 120.281 120.500 -0.153 0.000 2.153 5128 R HA -0.258 4.074 4.340 -0.013 0.000 0.252 5128 R C 2.355 178.386 176.300 -0.449 0.000 1.158 5128 R CA 1.989 57.900 56.100 -0.314 0.000 0.975 5128 R CB -0.350 29.683 30.300 -0.445 0.000 0.871 5128 R HN 0.549 nan 8.270 nan 0.000 0.450 5129 Q N -1.144 118.315 119.800 -0.569 0.000 2.170 5129 Q HA -0.154 4.178 4.340 -0.013 0.000 0.203 5129 Q C 1.755 177.537 176.000 -0.363 0.000 0.976 5129 Q CA 1.439 56.912 55.803 -0.549 0.000 0.858 5129 Q CB -0.043 28.324 28.738 -0.618 0.000 0.907 5129 Q HN 0.358 nan 8.270 nan 0.000 0.433 5130 F N 0.588 120.427 119.950 -0.184 0.000 2.074 5130 F HA -0.140 4.379 4.527 -0.013 0.000 0.290 5130 F C 2.452 178.185 175.800 -0.112 0.000 1.118 5130 F CA 1.036 58.978 58.000 -0.098 0.000 1.199 5130 F CB -0.123 38.855 39.000 -0.037 0.000 1.012 5130 F HN 0.058 nan 8.300 nan 0.000 0.472 5131 E N 0.994 121.257 120.200 0.104 0.000 2.072 5131 E HA -0.303 4.039 4.350 -0.013 0.000 0.218 5131 E C 2.164 178.699 176.600 -0.108 0.000 1.051 5131 E CA 2.374 58.788 56.400 0.023 0.000 0.880 5131 E CB -0.468 29.249 29.700 0.028 0.000 0.783 5131 E HN 0.361 nan 8.360 nan 0.000 0.473 5132 I N 0.426 120.789 120.570 -0.344 0.000 2.315 5132 I HA -0.322 3.840 4.170 -0.013 0.000 0.251 5132 I C 2.445 178.451 176.117 -0.186 0.000 1.125 5132 I CA 1.043 62.110 61.300 -0.389 0.000 1.392 5132 I CB -0.390 37.265 38.000 -0.574 0.000 1.065 5132 I HN 0.297 nan 8.210 nan 0.000 0.424 5133 A N 0.835 123.571 122.820 -0.140 0.000 1.898 5133 A HA -0.229 4.083 4.320 -0.013 0.000 0.216 5133 A C 2.308 179.881 177.584 -0.018 0.000 1.181 5133 A CA 1.707 53.698 52.037 -0.076 0.000 0.620 5133 A CB -0.456 18.501 19.000 -0.072 0.000 0.819 5133 A HN 0.347 nan 8.150 nan 0.000 0.442 5134 R N -0.022 120.494 120.500 0.027 0.000 2.189 5134 R HA 0.140 4.472 4.340 -0.013 0.000 0.218 5134 R C 1.466 177.779 176.300 0.021 0.000 1.074 5134 R CA 1.077 57.201 56.100 0.040 0.000 0.991 5134 R CB -0.583 29.759 30.300 0.070 0.000 0.883 5134 R HN 0.487 nan 8.270 nan 0.000 0.457 5135 L N -0.532 120.695 121.223 0.007 0.000 2.375 5135 L HA 0.092 4.424 4.340 -0.013 0.000 0.215 5135 L C 0.844 177.711 176.870 -0.004 0.000 1.108 5135 L CA 0.304 55.150 54.840 0.010 0.000 0.830 5135 L CB 0.322 42.393 42.059 0.020 0.000 0.959 5135 L HN 0.015 nan 8.230 nan 0.000 0.457 5136 V N -0.298 119.603 119.914 -0.022 0.000 3.271 5136 V HA 0.273 4.385 4.120 -0.013 0.000 0.327 5136 V C 1.276 177.357 176.094 -0.021 0.000 1.389 5136 V CA 0.465 62.751 62.300 -0.023 0.000 1.156 5136 V CB -0.212 31.588 31.823 -0.039 0.000 1.103 5136 V HN 0.560 nan 8.190 nan 0.000 0.453 5137 G N 1.685 110.476 108.800 -0.016 0.000 2.323 5137 G HA2 -0.188 3.764 3.960 -0.013 0.000 0.292 5137 G HA3 -0.188 3.764 3.960 -0.013 0.000 0.292 5137 G C 0.070 174.951 174.900 -0.031 0.000 1.040 5137 G CA 0.600 45.689 45.100 -0.018 0.000 0.942 5137 G HN 0.903 nan 8.290 nan 0.000 0.506 5138 V N -4.120 115.770 119.914 -0.040 0.000 3.158 5138 V HA 0.819 4.931 4.120 -0.013 0.000 0.315 5138 V C 0.589 176.633 176.094 -0.082 0.000 1.148 5138 V CA -2.013 60.252 62.300 -0.059 0.000 1.042 5138 V CB 1.467 33.256 31.823 -0.057 0.000 1.101 5138 V HN 0.306 nan 8.190 nan 0.000 0.448 5139 R N 1.133 121.550 120.500 -0.138 0.000 2.308 5139 R HA 0.372 4.704 4.340 -0.013 0.000 0.305 5139 R C -1.883 174.330 176.300 -0.144 0.000 1.053 5139 R CA -1.393 54.562 56.100 -0.243 0.000 0.957 5139 R CB 1.029 31.003 30.300 -0.544 0.000 1.022 5139 R HN 0.551 nan 8.270 nan 0.000 0.461 5140 P HA -0.161 nan 4.420 nan 0.000 0.222 5140 P C 0.519 177.822 177.300 0.004 0.000 1.147 5140 P CA 0.901 63.998 63.100 -0.006 0.000 0.790 5140 P CB 0.087 31.929 31.700 0.235 0.000 0.780 5141 Y N 0.964 121.254 120.300 -0.017 0.000 2.218 5141 Y HA -0.345 4.198 4.550 -0.013 0.000 0.272 5141 Y C 2.369 178.258 175.900 -0.019 0.000 1.280 5141 Y CA 1.039 59.144 58.100 0.008 0.000 1.117 5141 Y CB -1.830 36.647 38.460 0.029 0.000 0.924 5141 Y HN 0.190 nan 8.280 nan 0.000 0.522 5142 N N 0.408 119.179 118.700 0.119 0.000 2.036 5142 N HA -0.249 4.483 4.740 -0.013 0.000 0.195 5142 N C 1.970 177.469 175.510 -0.018 0.000 1.037 5142 N CA 2.063 55.140 53.050 0.045 0.000 0.855 5142 N CB -0.377 38.100 38.487 -0.017 0.000 1.033 5142 N HN 0.351 nan 8.380 nan 0.000 0.423 5143 A N 1.278 123.954 122.820 -0.239 0.000 1.997 5143 A HA -0.143 4.169 4.320 -0.013 0.000 0.221 5143 A C 2.449 179.954 177.584 -0.130 0.000 1.172 5143 A CA 1.370 53.137 52.037 -0.449 0.000 0.645 5143 A CB -0.667 17.446 19.000 -1.477 0.000 0.813 5143 A HN 0.477 nan 8.150 nan 0.000 0.454 5144 I N -0.609 119.954 120.570 -0.012 0.000 2.110 5144 I HA -0.260 3.902 4.170 -0.013 0.000 0.236 5144 I C 3.024 179.247 176.117 0.176 0.000 1.068 5144 I CA 1.015 62.404 61.300 0.149 0.000 1.333 5144 I CB -0.639 37.457 38.000 0.160 0.000 1.054 5144 I HN 0.354 nan 8.210 nan 0.000 0.402 5145 A N 0.804 123.708 122.820 0.141 0.000 1.954 5145 A HA -0.331 3.981 4.320 -0.013 0.000 0.222 5145 A C 2.201 179.891 177.584 0.176 0.000 1.199 5145 A CA 1.977 54.097 52.037 0.138 0.000 0.657 5145 A CB -1.401 17.671 19.000 0.120 0.000 0.823 5145 A HN 0.512 nan 8.150 nan 0.000 0.463 5146 F N 1.716 121.701 119.950 0.057 0.000 2.529 5146 F HA -0.159 4.360 4.527 -0.013 0.000 0.297 5146 F C 2.522 178.365 175.800 0.072 0.000 1.114 5146 F CA 1.264 59.295 58.000 0.053 0.000 1.467 5146 F CB -0.192 38.851 39.000 0.072 0.000 1.096 5146 F HN 0.376 nan 8.300 nan 0.000 0.586 5147 S N 0.257 116.054 115.700 0.160 0.000 2.368 5147 S HA -0.206 4.256 4.470 -0.013 0.000 0.225 5147 S C 2.461 176.994 174.600 -0.111 0.000 1.030 5147 S CA 0.854 59.157 58.200 0.171 0.000 0.999 5147 S CB -1.130 62.418 63.200 0.580 0.000 0.844 5147 S HN 0.423 nan 8.310 nan 0.000 0.459 5148 A N 3.198 126.007 122.820 -0.020 0.000 1.935 5148 A HA -0.183 4.129 4.320 -0.013 0.000 0.224 5148 A C 0.157 177.498 177.584 -0.405 0.000 1.324 5148 A CA 2.409 54.331 52.037 -0.192 0.000 0.686 5148 A CB -2.069 16.870 19.000 -0.101 0.000 0.837 5148 A HN 0.628 nan 8.150 nan 0.000 0.481 5149 P HA 0.092 nan 4.420 nan 0.000 0.220 5149 P C 1.439 178.471 177.300 -0.447 0.000 1.154 5149 P CA 0.492 63.279 63.100 -0.522 0.000 0.837 5149 P CB -0.062 31.207 31.700 -0.718 0.000 0.815 5150 I N 0.042 120.322 120.570 -0.483 0.000 2.118 5150 I HA -0.311 3.851 4.170 -0.013 0.000 0.241 5150 I C 2.306 178.286 176.117 -0.228 0.000 1.070 5150 I CA 1.848 62.996 61.300 -0.253 0.000 1.327 5150 I CB -1.046 36.889 38.000 -0.109 0.000 1.034 5150 I HN -0.072 nan 8.210 nan 0.000 0.405 5151 A N 0.675 123.232 122.820 -0.439 0.000 1.883 5151 A HA -0.165 4.147 4.320 -0.013 0.000 0.217 5151 A C 2.429 179.778 177.584 -0.391 0.000 1.186 5151 A CA 2.149 53.820 52.037 -0.611 0.000 0.624 5151 A CB -1.025 17.089 19.000 -1.476 0.000 0.822 5151 A HN 0.260 nan 8.150 nan 0.000 0.444 5152 V N -1.386 118.309 119.914 -0.365 0.000 2.216 5152 V HA -0.246 3.866 4.120 -0.013 0.000 0.243 5152 V C 2.276 178.307 176.094 -0.105 0.000 1.044 5152 V CA 2.145 64.316 62.300 -0.214 0.000 0.995 5152 V CB -1.197 30.506 31.823 -0.200 0.000 0.633 5152 V HN 0.591 nan 8.190 nan 0.000 0.446 5153 F N 0.391 120.172 119.950 -0.282 0.000 2.192 5153 F HA -0.208 4.310 4.527 -0.014 0.000 0.301 5153 F C 2.102 177.828 175.800 -0.123 0.000 1.079 5153 F CA 1.611 59.419 58.000 -0.319 0.000 1.303 5153 F CB -0.198 38.520 39.000 -0.470 0.000 1.024 5153 F HN -0.082 nan 8.300 nan 0.000 0.494 5154 V N 0.010 119.950 119.914 0.043 0.000 2.229 5154 V HA -0.301 3.812 4.120 -0.013 0.000 0.243 5154 V C 2.601 178.713 176.094 0.031 0.000 1.042 5154 V CA 2.004 64.332 62.300 0.048 0.000 1.000 5154 V CB -1.067 30.772 31.823 0.026 0.000 0.637 5154 V HN 0.541 nan 8.190 nan 0.000 0.446 5155 S N 0.567 116.267 115.700 -0.000 0.000 2.359 5155 S HA -0.204 4.258 4.470 -0.013 0.000 0.222 5155 S C 1.857 176.520 174.600 0.105 0.000 1.038 5155 S CA 1.956 60.178 58.200 0.036 0.000 1.051 5155 S CB -1.017 62.169 63.200 -0.023 0.000 0.944 5155 S HN 0.311 nan 8.310 nan 0.000 0.433 5156 V N -0.194 119.768 119.914 0.079 0.000 3.141 5156 V HA 0.090 4.202 4.120 -0.013 0.000 0.265 5156 V C 1.528 177.704 176.094 0.137 0.000 1.126 5156 V CA 1.246 63.624 62.300 0.130 0.000 1.141 5156 V CB -1.115 30.745 31.823 0.061 0.000 0.743 5156 V HN 0.450 nan 8.190 nan 0.000 0.492 5157 F N -1.773 118.027 119.950 -0.251 0.000 2.784 5157 F HA 0.394 4.913 4.527 -0.014 0.000 0.323 5157 F C 1.237 177.128 175.800 0.151 0.000 1.085 5157 F CA 0.065 57.918 58.000 -0.244 0.000 1.196 5157 F CB 0.403 38.803 39.000 -1.000 0.000 1.053 5157 F HN 0.029 nan 8.300 nan 0.000 0.578 5158 L N -1.297 120.100 121.223 0.291 0.000 2.775 5158 L HA 0.235 4.567 4.340 -0.013 0.000 0.175 5158 L C 1.975 178.976 176.870 0.218 0.000 1.110 5158 L CA 0.393 55.467 54.840 0.391 0.000 0.862 5158 L CB -0.772 41.473 42.059 0.310 0.000 1.381 5158 L HN -0.201 nan 8.230 nan 0.000 0.499 5159 I N -0.303 120.366 120.570 0.165 0.000 2.069 5159 I HA -0.374 3.788 4.170 -0.013 0.000 0.237 5159 I C 2.619 178.813 176.117 0.127 0.000 1.053 5159 I CA 2.169 63.544 61.300 0.125 0.000 1.311 5159 I CB -0.565 37.499 38.000 0.108 0.000 1.030 5159 I HN 0.302 nan 8.210 nan 0.000 0.398 5160 Y N 2.710 123.042 120.300 0.053 0.000 2.040 5160 Y HA -0.219 4.324 4.550 -0.012 0.000 0.275 5160 Y C -0.520 175.410 175.900 0.049 0.000 1.171 5160 Y CA 1.875 60.007 58.100 0.053 0.000 1.123 5160 Y CB -2.086 36.446 38.460 0.121 0.000 0.963 5160 Y HN 0.088 nan 8.280 nan 0.000 0.493 5161 P HA -0.201 nan 4.420 nan 0.000 0.214 5161 P C 1.958 178.919 177.300 -0.564 0.000 1.163 5161 P CA 2.349 65.150 63.100 -0.499 0.000 0.883 5161 P CB -0.244 31.282 31.700 -0.289 0.000 0.788 5162 L N -1.515 119.415 121.223 -0.488 0.000 2.263 5162 L HA -0.139 4.193 4.340 -0.013 0.000 0.216 5162 L C 2.439 179.399 176.870 0.149 0.000 1.111 5162 L CA 1.690 56.415 54.840 -0.193 0.000 0.773 5162 L CB -1.318 40.717 42.059 -0.041 0.000 0.906 5162 L HN 0.123 nan 8.230 nan 0.000 0.439 5163 G N -1.859 106.954 108.800 0.022 0.000 2.492 5163 G HA2 -0.032 3.920 3.960 -0.013 0.000 0.214 5163 G HA3 -0.032 3.920 3.960 -0.013 0.000 0.214 5163 G C 1.202 176.101 174.900 -0.001 0.000 1.147 5163 G CA -0.122 44.993 45.100 0.025 0.000 0.809 5163 G HN 0.126 nan 8.290 nan 0.000 0.533 5164 Q N 0.233 120.000 119.800 -0.055 0.000 2.665 5164 Q HA 0.250 4.582 4.340 -0.013 0.000 0.189 5164 Q C 2.046 178.075 176.000 0.049 0.000 1.118 5164 Q CA 0.097 55.869 55.803 -0.052 0.000 0.849 5164 Q CB -0.342 28.294 28.738 -0.171 0.000 3.715 5164 Q HN 0.193 nan 8.270 nan 0.000 0.439 5165 S N -0.740 115.046 115.700 0.143 0.000 2.327 5165 S HA -0.009 4.453 4.470 -0.013 0.000 0.213 5165 S C 0.866 175.579 174.600 0.188 0.000 1.032 5165 S CA 0.934 59.222 58.200 0.147 0.000 0.960 5165 S CB -0.019 63.340 63.200 0.264 0.000 0.900 5165 S HN 0.486 nan 8.310 nan 0.000 0.469 5166 S N -2.040 113.788 115.700 0.214 0.000 2.667 5166 S HA 0.414 4.876 4.470 -0.013 0.000 0.292 5166 S C -0.216 174.239 174.600 -0.242 0.000 1.126 5166 S CA -0.597 57.616 58.200 0.022 0.000 0.881 5166 S CB 0.188 63.310 63.200 -0.129 0.000 1.132 5166 S HN 0.556 nan 8.310 nan 0.000 0.492 5167 W N 1.167 122.311 121.300 -0.259 0.000 2.387 5167 W HA -0.053 4.599 4.660 -0.014 0.000 0.272 5167 W C 1.746 177.934 176.519 -0.552 0.000 1.224 5167 W CA 0.539 57.555 57.345 -0.549 0.000 1.210 5167 W CB -0.321 28.759 29.460 -0.634 0.000 1.125 5167 W HN 0.826 nan 8.180 nan 0.000 0.572 5168 F N 0.247 119.984 119.950 -0.355 0.000 2.021 5168 F HA -0.355 4.164 4.527 -0.013 0.000 0.297 5168 F C 1.924 177.556 175.800 -0.280 0.000 1.152 5168 F CA 2.044 59.790 58.000 -0.424 0.000 1.201 5168 F CB -0.975 37.591 39.000 -0.723 0.000 0.951 5168 F HN -0.238 nan 8.300 nan 0.000 0.504 5169 F N 0.825 120.979 119.950 0.341 0.000 2.605 5169 F HA 0.021 4.540 4.527 -0.014 0.000 0.296 5169 F C 1.521 177.550 175.800 0.383 0.000 1.146 5169 F CA 0.190 58.411 58.000 0.369 0.000 1.478 5169 F CB -1.940 37.240 39.000 0.300 0.000 1.107 5169 F HN 0.034 nan 8.300 nan 0.000 0.600 5170 A N -0.047 122.959 122.820 0.310 0.000 2.327 5170 A HA 0.361 4.673 4.320 -0.013 0.000 0.255 5170 A C -1.832 176.038 177.584 0.476 0.000 1.099 5170 A CA -1.317 50.941 52.037 0.369 0.000 0.801 5170 A CB -0.449 18.622 19.000 0.119 0.000 1.062 5170 A HN -0.022 nan 8.150 nan 0.000 0.496 5171 P HA -0.059 nan 4.420 nan 0.000 0.274 5171 P C 0.741 177.999 177.300 -0.069 0.000 1.248 5171 P CA 0.683 63.397 63.100 -0.644 0.000 0.827 5171 P CB 0.412 31.036 31.700 -1.793 0.000 0.972 5172 S N -1.275 114.350 115.700 -0.125 0.000 2.549 5172 S HA 0.233 4.695 4.470 -0.013 0.000 0.225 5172 S C -0.001 174.751 174.600 0.254 0.000 1.039 5172 S CA -0.314 57.960 58.200 0.123 0.000 0.942 5172 S CB -0.589 62.654 63.200 0.072 0.000 0.881 5172 S HN 0.365 nan 8.310 nan 0.000 0.503 5173 F N 0.465 120.428 119.950 0.022 0.000 3.040 5173 F HA -0.079 4.440 4.527 -0.013 0.000 0.298 5173 F C 0.550 176.401 175.800 0.084 0.000 0.948 5173 F CA 0.603 58.631 58.000 0.046 0.000 1.022 5173 F CB -1.475 37.590 39.000 0.109 0.000 1.023 5173 F HN 0.300 nan 8.300 nan 0.000 0.742 5174 G N -1.285 107.564 108.800 0.082 0.000 2.949 5174 G HA2 0.623 4.575 3.960 -0.013 0.000 0.285 5174 G HA3 0.623 4.575 3.960 -0.013 0.000 0.285 5174 G C 0.055 174.844 174.900 -0.186 0.000 1.395 5174 G CA -0.127 44.978 45.100 0.008 0.000 0.901 5174 G HN -0.006 nan 8.290 nan 0.000 0.519 5175 V N 0.090 119.803 119.914 -0.334 0.000 2.521 5175 V HA 0.184 4.296 4.120 -0.013 0.000 0.239 5175 V C 2.767 178.204 176.094 -1.095 0.000 1.053 5175 V CA 2.107 64.054 62.300 -0.589 0.000 1.073 5175 V CB -0.066 31.368 31.823 -0.649 0.000 0.746 5175 V HN 0.822 nan 8.190 nan 0.000 0.476 5176 A N -0.068 122.251 122.820 -0.836 0.000 1.924 5176 A HA 0.268 4.580 4.320 -0.013 0.000 0.211 5176 A C 2.292 179.649 177.584 -0.379 0.000 1.198 5176 A CA 1.205 52.737 52.037 -0.841 0.000 0.657 5176 A CB -0.733 18.052 19.000 -0.357 0.000 0.852 5176 A HN 0.495 nan 8.150 nan 0.000 0.454 5177 A N -0.305 122.374 122.820 -0.234 0.000 2.093 5177 A HA -0.141 4.171 4.320 -0.013 0.000 0.222 5177 A C 1.938 179.518 177.584 -0.007 0.000 1.162 5177 A CA 1.735 53.721 52.037 -0.084 0.000 0.655 5177 A CB -0.419 18.535 19.000 -0.077 0.000 0.805 5177 A HN 0.424 nan 8.150 nan 0.000 0.461 5178 I N -1.655 118.864 120.570 -0.084 0.000 3.035 5178 I HA 0.009 4.171 4.170 -0.013 0.000 0.271 5178 I C 1.493 177.767 176.117 0.261 0.000 1.190 5178 I CA 0.651 61.971 61.300 0.033 0.000 1.472 5178 I CB -0.717 37.246 38.000 -0.062 0.000 1.116 5178 I HN 0.287 nan 8.210 nan 0.000 0.443 5179 F N 1.086 121.061 119.950 0.043 0.000 2.234 5179 F HA -0.091 4.430 4.527 -0.010 0.000 0.299 5179 F C 2.585 178.435 175.800 0.084 0.000 1.087 5179 F CA 0.697 58.724 58.000 0.045 0.000 1.340 5179 F CB -1.269 37.744 39.000 0.021 0.000 1.031 5179 F HN 0.117 nan 8.300 nan 0.000 0.500 5180 R N 0.403 121.079 120.500 0.292 0.000 2.105 5180 R HA -0.235 4.097 4.340 -0.013 0.000 0.239 5180 R C 2.241 178.716 176.300 0.291 0.000 1.135 5180 R CA 1.281 57.519 56.100 0.229 0.000 0.967 5180 R CB -1.395 29.010 30.300 0.175 0.000 0.861 5180 R HN 0.269 nan 8.270 nan 0.000 0.442 5181 F N 1.166 121.216 119.950 0.166 0.000 2.202 5181 F HA -0.199 4.319 4.527 -0.014 0.000 0.301 5181 F C 1.904 177.696 175.800 -0.013 0.000 1.082 5181 F CA 1.209 59.291 58.000 0.137 0.000 1.313 5181 F CB -0.002 38.976 39.000 -0.037 0.000 1.024 5181 F HN -0.044 nan 8.300 nan 0.000 0.495 5182 L N -0.560 120.751 121.223 0.147 0.000 1.890 5182 L HA -0.209 4.123 4.340 -0.013 0.000 0.219 5182 L C 2.391 179.295 176.870 0.057 0.000 1.104 5182 L CA 0.870 55.729 54.840 0.032 0.000 0.792 5182 L CB -1.385 40.711 42.059 0.061 0.000 0.887 5182 L HN 0.033 nan 8.230 nan 0.000 0.432 5183 L N -0.121 121.144 121.223 0.070 0.000 2.173 5183 L HA -0.421 3.911 4.340 -0.013 0.000 0.239 5183 L C 2.627 179.518 176.870 0.035 0.000 1.123 5183 L CA 2.339 57.206 54.840 0.046 0.000 0.847 5183 L CB -1.465 40.621 42.059 0.044 0.000 0.940 5183 L HN 0.396 nan 8.230 nan 0.000 0.450 5184 F N -0.067 119.804 119.950 -0.132 0.000 2.111 5184 F HA -0.348 4.171 4.527 -0.013 0.000 0.300 5184 F C 2.348 178.011 175.800 -0.229 0.000 1.088 5184 F CA 1.645 59.466 58.000 -0.299 0.000 1.243 5184 F CB -0.234 38.662 39.000 -0.174 0.000 0.996 5184 F HN -0.100 nan 8.300 nan 0.000 0.483 5185 F N 0.407 120.035 119.950 -0.537 0.000 2.074 5185 F HA -0.225 4.294 4.527 -0.013 0.000 0.293 5185 F C 2.704 178.383 175.800 -0.201 0.000 1.116 5185 F CA 1.075 58.777 58.000 -0.496 0.000 1.212 5185 F CB -0.802 37.965 39.000 -0.389 0.000 0.998 5185 F HN 0.028 nan 8.300 nan 0.000 0.471 5186 Q N 0.996 120.863 119.800 0.112 0.000 2.062 5186 Q HA -0.179 4.153 4.340 -0.013 0.000 0.209 5186 Q C 2.149 178.157 176.000 0.013 0.000 0.996 5186 Q CA 2.360 58.211 55.803 0.081 0.000 0.859 5186 Q CB -1.154 27.615 28.738 0.052 0.000 0.920 5186 Q HN 0.352 nan 8.270 nan 0.000 0.415 5187 G N -1.360 107.405 108.800 -0.058 0.000 2.408 5187 G HA2 -0.146 3.806 3.960 -0.013 0.000 0.217 5187 G HA3 -0.146 3.806 3.960 -0.013 0.000 0.217 5187 G C 1.167 176.086 174.900 0.031 0.000 1.150 5187 G CA 0.826 45.883 45.100 -0.072 0.000 0.776 5187 G HN 0.452 nan 8.290 nan 0.000 0.542 5188 F N -1.508 118.293 119.950 -0.250 0.000 2.453 5188 F HA 0.218 4.737 4.527 -0.013 0.000 0.284 5188 F C 2.526 177.973 175.800 -0.589 0.000 1.065 5188 F CA -0.011 57.727 58.000 -0.436 0.000 1.411 5188 F CB 0.377 39.113 39.000 -0.441 0.000 1.131 5188 F HN 0.072 nan 8.300 nan 0.000 0.582 5189 H N -0.138 118.768 119.070 -0.275 0.000 2.562 5189 H HA 0.045 4.593 4.556 -0.014 0.000 0.267 5189 H C 0.296 175.565 175.328 -0.098 0.000 0.959 5189 H CA 0.454 56.329 56.048 -0.288 0.000 1.204 5189 H CB -0.399 29.079 29.762 -0.473 0.000 1.430 5189 H HN 0.124 nan 8.280 nan 0.000 0.545 5190 N N 0.509 119.236 118.700 0.044 0.000 2.705 5190 N HA -0.235 4.497 4.740 -0.013 0.000 0.255 5190 N C 0.926 176.596 175.510 0.267 0.000 1.008 5190 N CA 0.570 53.715 53.050 0.157 0.000 0.742 5190 N CB -1.590 37.063 38.487 0.277 0.000 0.906 5190 N HN 0.620 nan 8.380 nan 0.000 0.541 5191 W N 0.515 121.841 121.300 0.042 0.000 2.335 5191 W HA -0.283 4.370 4.660 -0.011 0.000 0.311 5191 W C 2.088 178.553 176.519 -0.089 0.000 1.213 5191 W CA 2.075 59.432 57.345 0.020 0.000 1.274 5191 W CB -0.759 28.753 29.460 0.087 0.000 1.148 5191 W HN 0.538 nan 8.180 nan 0.000 0.498 5192 T N 0.235 114.742 114.554 -0.077 0.000 2.774 5192 T HA -0.326 4.017 4.350 -0.013 0.000 0.264 5192 T C 1.430 176.007 174.700 -0.205 0.000 1.037 5192 T CA 1.831 63.769 62.100 -0.270 0.000 1.152 5192 T CB -0.990 67.823 68.868 -0.092 0.000 0.842 5192 T HN 0.311 nan 8.240 nan 0.000 0.483 5193 L N 1.324 122.512 121.223 -0.060 0.000 2.978 5193 L HA 0.433 4.765 4.340 -0.013 0.000 0.239 5193 L C -0.129 176.745 176.870 0.006 0.000 1.293 5193 L CA -0.532 54.305 54.840 -0.004 0.000 1.085 5193 L CB -0.039 42.071 42.059 0.084 0.000 1.432 5193 L HN 0.170 nan 8.230 nan 0.000 0.512 5194 N N 0.672 119.289 118.700 -0.140 0.000 2.518 5194 N HA 0.276 5.008 4.740 -0.013 0.000 0.254 5194 N C -1.961 173.433 175.510 -0.193 0.000 0.979 5194 N CA -2.117 50.852 53.050 -0.134 0.000 0.930 5194 N CB 1.680 40.059 38.487 -0.179 0.000 1.152 5194 N HN -0.017 nan 8.380 nan 0.000 0.505 5195 P HA -0.250 nan 4.420 nan 0.000 0.216 5195 P C 1.322 178.523 177.300 -0.165 0.000 1.151 5195 P CA 1.515 64.504 63.100 -0.184 0.000 0.953 5195 P CB -0.081 31.448 31.700 -0.285 0.000 0.789 5196 F N -0.365 119.538 119.950 -0.077 0.000 2.063 5196 F HA -0.252 4.266 4.527 -0.014 0.000 0.298 5196 F C 2.883 178.582 175.800 -0.167 0.000 1.105 5196 F CA 1.795 59.762 58.000 -0.055 0.000 1.215 5196 F CB -2.041 36.996 39.000 0.063 0.000 0.972 5196 F HN 0.192 nan 8.300 nan 0.000 0.483 5197 H N 0.541 119.362 119.070 -0.414 0.000 2.422 5197 H HA -0.177 4.370 4.556 -0.015 0.000 0.298 5197 H C 2.058 177.207 175.328 -0.298 0.000 1.098 5197 H CA 2.012 57.690 56.048 -0.616 0.000 1.315 5197 H CB -0.289 28.381 29.762 -1.820 0.000 1.382 5197 H HN 0.289 nan 8.280 nan 0.000 0.523 5198 M N -0.013 119.516 119.600 -0.117 0.000 2.073 5198 M HA -0.228 4.244 4.480 -0.013 0.000 0.258 5198 M C 2.732 178.968 176.300 -0.106 0.000 1.070 5198 M CA 2.037 57.303 55.300 -0.057 0.000 1.103 5198 M CB -0.491 32.084 32.600 -0.041 0.000 1.321 5198 M HN 0.197 nan 8.290 nan 0.000 0.405 5199 M N 0.335 119.905 119.600 -0.051 0.000 2.346 5199 M HA -0.093 4.379 4.480 -0.013 0.000 0.263 5199 M C 2.240 178.508 176.300 -0.053 0.000 1.064 5199 M CA 1.387 56.682 55.300 -0.008 0.000 1.083 5199 M CB -0.783 31.861 32.600 0.074 0.000 1.399 5199 M HN 0.517 nan 8.290 nan 0.000 0.435 5200 G N -0.557 108.158 108.800 -0.141 0.000 2.432 5200 G HA2 -0.164 3.788 3.960 -0.013 0.000 0.219 5200 G HA3 -0.164 3.788 3.960 -0.013 0.000 0.219 5200 G C 1.449 176.211 174.900 -0.229 0.000 1.135 5200 G CA 1.053 46.036 45.100 -0.196 0.000 0.767 5200 G HN 0.416 nan 8.290 nan 0.000 0.550 5201 V N 0.164 119.911 119.914 -0.279 0.000 3.174 5201 V HA 0.450 4.562 4.120 -0.013 0.000 0.254 5201 V C 2.804 178.846 176.094 -0.088 0.000 1.120 5201 V CA 1.526 63.728 62.300 -0.163 0.000 1.114 5201 V CB 0.034 31.791 31.823 -0.110 0.000 0.756 5201 V HN 0.361 nan 8.190 nan 0.000 0.467 5202 A N 0.398 123.174 122.820 -0.073 0.000 1.972 5202 A HA 0.060 4.372 4.320 -0.013 0.000 0.219 5202 A C 2.217 179.788 177.584 -0.023 0.000 1.169 5202 A CA 1.822 53.839 52.037 -0.033 0.000 0.635 5202 A CB -1.065 17.930 19.000 -0.009 0.000 0.810 5202 A HN 0.654 nan 8.150 nan 0.000 0.446 5203 G N -0.968 107.815 108.800 -0.029 0.000 2.408 5203 G HA2 0.057 4.009 3.960 -0.013 0.000 0.213 5203 G HA3 0.057 4.009 3.960 -0.013 0.000 0.213 5203 G C 1.498 176.366 174.900 -0.053 0.000 1.177 5203 G CA 0.937 46.022 45.100 -0.024 0.000 0.802 5203 G HN 0.240 nan 8.290 nan 0.000 0.533 5204 V N 0.869 120.744 119.914 -0.064 0.000 2.237 5204 V HA -0.131 3.981 4.120 -0.013 0.000 0.245 5204 V C 2.676 178.732 176.094 -0.063 0.000 1.046 5204 V CA 1.823 64.083 62.300 -0.066 0.000 1.007 5204 V CB -0.482 31.300 31.823 -0.067 0.000 0.638 5204 V HN 0.340 nan 8.190 nan 0.000 0.445 5205 L N 1.280 122.467 121.223 -0.059 0.000 1.976 5205 L HA -0.039 4.293 4.340 -0.013 0.000 0.209 5205 L C 2.391 179.224 176.870 -0.063 0.000 1.071 5205 L CA 2.642 57.448 54.840 -0.055 0.000 0.746 5205 L CB -1.609 40.422 42.059 -0.048 0.000 0.890 5205 L HN 0.295 nan 8.230 nan 0.000 0.432 5206 G N -1.116 107.647 108.800 -0.060 0.000 2.469 5206 G HA2 -0.261 3.691 3.960 -0.013 0.000 0.219 5206 G HA3 -0.261 3.691 3.960 -0.013 0.000 0.219 5206 G C 1.488 176.323 174.900 -0.108 0.000 1.150 5206 G CA 0.754 45.812 45.100 -0.071 0.000 0.763 5206 G HN 0.653 nan 8.290 nan 0.000 0.561 5207 G N 0.955 109.691 108.800 -0.106 0.000 2.402 5207 G HA2 0.096 4.048 3.960 -0.013 0.000 0.216 5207 G HA3 0.096 4.048 3.960 -0.013 0.000 0.216 5207 G C 2.075 176.906 174.900 -0.115 0.000 1.162 5207 G CA 1.417 46.436 45.100 -0.135 0.000 0.777 5207 G HN 0.645 nan 8.290 nan 0.000 0.539 5208 A N 0.809 123.577 122.820 -0.086 0.000 1.892 5208 A HA -0.088 4.224 4.320 -0.013 0.000 0.218 5208 A C 2.385 179.924 177.584 -0.075 0.000 1.188 5208 A CA 1.692 53.687 52.037 -0.070 0.000 0.631 5208 A CB -0.615 18.351 19.000 -0.057 0.000 0.822 5208 A HN 0.445 nan 8.150 nan 0.000 0.447 5209 L N -1.268 119.904 121.223 -0.085 0.000 1.970 5209 L HA -0.197 4.135 4.340 -0.013 0.000 0.212 5209 L C 2.438 179.244 176.870 -0.107 0.000 1.071 5209 L CA 1.895 56.681 54.840 -0.092 0.000 0.751 5209 L CB -0.336 41.659 42.059 -0.106 0.000 0.889 5209 L HN 0.355 nan 8.230 nan 0.000 0.432 5210 L N 0.085 121.223 121.223 -0.143 0.000 2.051 5210 L HA -0.327 4.005 4.340 -0.013 0.000 0.214 5210 L C 2.812 179.621 176.870 -0.103 0.000 1.076 5210 L CA 2.115 56.852 54.840 -0.171 0.000 0.758 5210 L CB -1.097 40.791 42.059 -0.284 0.000 0.890 5210 L HN 0.632 nan 8.230 nan 0.000 0.433 5211 C N -1.312 117.937 119.300 -0.084 0.000 2.473 5211 C HA -0.066 4.386 4.460 -0.013 0.000 0.279 5211 C C 3.003 177.973 174.990 -0.034 0.000 1.250 5211 C CA 0.807 59.799 59.018 -0.043 0.000 1.713 5211 C CB -1.260 26.453 27.740 -0.045 0.000 2.066 5211 C HN 0.620 nan 8.230 nan 0.000 0.474 5212 A N -0.170 122.625 122.820 -0.041 0.000 1.986 5212 A HA -0.168 4.144 4.320 -0.013 0.000 0.220 5212 A C 2.070 179.641 177.584 -0.020 0.000 1.171 5212 A CA 2.109 54.127 52.037 -0.031 0.000 0.640 5212 A CB -0.738 18.244 19.000 -0.029 0.000 0.811 5212 A HN 0.764 nan 8.150 nan 0.000 0.451 5213 I N -2.064 118.490 120.570 -0.026 0.000 2.277 5213 I HA -0.132 4.030 4.170 -0.013 0.000 0.243 5213 I C 2.339 178.471 176.117 0.024 0.000 1.094 5213 I CA 1.885 63.179 61.300 -0.009 0.000 1.393 5213 I CB -0.190 37.752 38.000 -0.097 0.000 1.078 5213 I HN 0.501 nan 8.210 nan 0.000 0.417 5214 H N 0.632 119.634 119.070 -0.114 0.000 2.422 5214 H HA -0.072 4.475 4.556 -0.015 0.000 0.298 5214 H C 2.034 177.274 175.328 -0.147 0.000 1.098 5214 H CA 1.645 57.599 56.048 -0.156 0.000 1.315 5214 H CB -0.767 28.869 29.762 -0.210 0.000 1.382 5214 H HN 0.392 nan 8.280 nan 0.000 0.523 5215 G N -0.318 108.355 108.800 -0.213 0.000 2.421 5215 G HA2 -0.211 3.741 3.960 -0.013 0.000 0.216 5215 G HA3 -0.211 3.741 3.960 -0.013 0.000 0.216 5215 G C 1.888 176.692 174.900 -0.161 0.000 1.171 5215 G CA 1.144 46.100 45.100 -0.239 0.000 0.775 5215 G HN 0.614 nan 8.290 nan 0.000 0.543 5216 A N -0.436 122.345 122.820 -0.065 0.000 1.878 5216 A HA 0.089 4.401 4.320 -0.013 0.000 0.213 5216 A C 2.432 180.020 177.584 0.007 0.000 1.192 5216 A CA 2.186 54.214 52.037 -0.016 0.000 0.619 5216 A CB -1.075 17.942 19.000 0.029 0.000 0.837 5216 A HN 0.319 nan 8.150 nan 0.000 0.446 5217 T N -0.729 113.880 114.554 0.091 0.000 2.721 5217 T HA -0.166 4.176 4.350 -0.013 0.000 0.268 5217 T C 1.760 176.470 174.700 0.016 0.000 1.038 5217 T CA 1.992 64.220 62.100 0.213 0.000 1.145 5217 T CB -0.433 68.683 68.868 0.413 0.000 0.858 5217 T HN 0.087 nan 8.240 nan 0.000 0.459 5218 V N 1.117 120.936 119.914 -0.158 0.000 2.270 5218 V HA -0.083 4.029 4.120 -0.013 0.000 0.245 5218 V C 2.749 178.750 176.094 -0.154 0.000 1.043 5218 V CA 1.952 64.050 62.300 -0.337 0.000 1.014 5218 V CB -0.492 30.946 31.823 -0.641 0.000 0.645 5218 V HN 0.449 nan 8.190 nan 0.000 0.447 5219 E N 0.434 120.568 120.200 -0.111 0.000 2.086 5219 E HA -0.233 4.109 4.350 -0.013 0.000 0.200 5219 E C 2.045 178.635 176.600 -0.016 0.000 1.012 5219 E CA 1.599 57.980 56.400 -0.031 0.000 0.812 5219 E CB -0.558 29.140 29.700 -0.003 0.000 0.743 5219 E HN 0.605 nan 8.360 nan 0.000 0.453 5220 N N -0.109 118.562 118.700 -0.048 0.000 2.270 5220 N HA -0.066 4.666 4.740 -0.013 0.000 0.181 5220 N C 0.769 176.230 175.510 -0.082 0.000 1.016 5220 N CA 0.807 53.813 53.050 -0.074 0.000 0.870 5220 N CB -0.109 38.296 38.487 -0.138 0.000 0.979 5220 N HN 0.036 nan 8.380 nan 0.000 0.431 5221 T N 1.774 116.280 114.554 -0.080 0.000 3.341 5221 T HA 0.251 4.593 4.350 -0.013 0.000 0.234 5221 T C 0.367 175.014 174.700 -0.089 0.000 0.890 5221 T CA -0.059 61.993 62.100 -0.080 0.000 0.952 5221 T CB -0.173 68.671 68.868 -0.041 0.000 1.146 5221 T HN 0.073 nan 8.240 nan 0.000 0.591 5222 L N 1.890 123.093 121.223 -0.035 0.000 2.275 5222 L HA 0.462 4.794 4.340 -0.013 0.000 0.288 5222 L C -0.552 176.370 176.870 0.086 0.000 1.046 5222 L CA -0.949 53.898 54.840 0.012 0.000 0.805 5222 L CB 0.751 42.859 42.059 0.081 0.000 1.193 5222 L HN 0.210 nan 8.230 nan 0.000 0.426 5223 F N 3.134 123.143 119.950 0.099 0.000 2.502 5223 F HA 0.053 4.573 4.527 -0.012 0.000 0.371 5223 F C 0.952 176.788 175.800 0.060 0.000 1.083 5223 F CA -0.265 57.774 58.000 0.065 0.000 1.174 5223 F CB 0.142 39.172 39.000 0.049 0.000 1.096 5223 F HN 0.455 nan 8.300 nan 0.000 0.545 5224 Q N 4.374 124.319 119.800 0.241 0.000 2.282 5224 Q HA -0.060 4.272 4.340 -0.013 0.000 0.276 5224 Q C -0.496 175.573 176.000 0.116 0.000 1.198 5224 Q CA 0.580 56.469 55.803 0.144 0.000 0.943 5224 Q CB 0.034 28.831 28.738 0.097 0.000 1.275 5224 Q HN 0.653 nan 8.270 nan 0.000 0.424 5225 D N 3.582 124.053 120.400 0.118 0.000 2.720 5225 D HA 0.268 4.900 4.640 -0.013 0.000 0.285 5225 D C -0.337 175.996 176.300 0.055 0.000 1.359 5225 D CA 0.120 54.163 54.000 0.072 0.000 0.818 5225 D CB 0.866 41.713 40.800 0.078 0.000 1.108 5225 D HN 0.691 nan 8.370 nan 0.000 0.474 5226 G N -0.184 108.655 108.800 0.064 0.000 2.866 5226 G HA2 0.426 4.378 3.960 -0.013 0.000 0.289 5226 G HA3 0.426 4.378 3.960 -0.013 0.000 0.289 5226 G C -0.939 173.990 174.900 0.048 0.000 1.396 5226 G CA -0.312 44.822 45.100 0.058 0.000 0.848 5226 G HN -0.151 nan 8.290 nan 0.000 0.515 5227 E N 0.179 120.405 120.200 0.043 0.000 2.207 5227 E HA 0.574 4.916 4.350 -0.013 0.000 0.250 5227 E C 0.409 177.030 176.600 0.035 0.000 0.890 5227 E CA 0.436 56.857 56.400 0.035 0.000 0.749 5227 E CB 1.095 30.810 29.700 0.024 0.000 1.193 5227 E HN 1.359 nan 8.360 nan 0.000 0.423 5228 G N 2.211 111.033 108.800 0.036 0.000 2.341 5228 G HA2 -0.070 3.882 3.960 -0.013 0.000 0.196 5228 G HA3 -0.070 3.882 3.960 -0.013 0.000 0.196 5228 G C -0.608 174.313 174.900 0.036 0.000 1.231 5228 G CA -0.323 44.797 45.100 0.032 0.000 1.155 5228 G HN 0.469 nan 8.290 nan 0.000 0.529 5229 A N -0.199 122.639 122.820 0.030 0.000 3.258 5229 A HA 0.672 4.984 4.320 -0.013 0.000 0.275 5229 A C 0.599 178.201 177.584 0.030 0.000 1.452 5229 A CA 1.064 53.116 52.037 0.025 0.000 1.120 5229 A CB -0.603 18.404 19.000 0.011 0.000 1.107 5229 A HN 1.751 nan 8.150 nan 0.000 0.651 5230 S N -0.423 115.311 115.700 0.057 0.000 2.630 5230 S HA 0.033 4.495 4.470 -0.013 0.000 0.173 5230 S C 0.841 175.530 174.600 0.148 0.000 1.048 5230 S CA 0.118 58.369 58.200 0.085 0.000 1.172 5230 S CB -0.166 63.081 63.200 0.079 0.000 1.638 5230 S HN 0.737 nan 8.310 nan 0.000 0.429 5231 T N -1.600 113.049 114.554 0.159 0.000 3.219 5231 T HA 0.020 4.362 4.350 -0.013 0.000 0.264 5231 T C 0.920 175.799 174.700 0.299 0.000 1.178 5231 T CA 0.810 63.030 62.100 0.200 0.000 1.057 5231 T CB -0.602 68.372 68.868 0.178 0.000 0.919 5231 T HN 0.334 nan 8.240 nan 0.000 0.545 5232 F N 1.561 121.546 119.950 0.057 0.000 2.569 5232 F HA 0.307 4.825 4.527 -0.014 0.000 0.295 5232 F C 2.150 177.999 175.800 0.082 0.000 1.115 5232 F CA -0.296 57.736 58.000 0.053 0.000 1.450 5232 F CB 0.194 39.210 39.000 0.026 0.000 1.107 5232 F HN 0.041 nan 8.300 nan 0.000 0.563 5233 R N -0.391 120.249 120.500 0.233 0.000 2.146 5233 R HA 0.286 4.618 4.340 -0.013 0.000 0.206 5233 R C 2.121 178.507 176.300 0.143 0.000 1.049 5233 R CA 0.880 57.075 56.100 0.159 0.000 1.029 5233 R CB -1.615 28.762 30.300 0.129 0.000 0.949 5233 R HN 0.079 nan 8.270 nan 0.000 0.471 5234 A N 1.458 124.363 122.820 0.143 0.000 2.285 5234 A HA -0.136 4.176 4.320 -0.013 0.000 0.214 5234 A C 0.550 178.204 177.584 0.117 0.000 1.188 5234 A CA 0.439 52.544 52.037 0.114 0.000 0.707 5234 A CB -0.872 18.198 19.000 0.117 0.000 0.771 5234 A HN 0.244 nan 8.150 nan 0.000 0.488 5235 F N 1.347 121.308 119.950 0.017 0.000 2.396 5235 F HA 0.409 4.928 4.527 -0.013 0.000 0.343 5235 F C 0.241 176.040 175.800 -0.002 0.000 1.104 5235 F CA -1.343 56.658 58.000 0.002 0.000 1.161 5235 F CB 0.636 39.612 39.000 -0.039 0.000 1.146 5235 F HN 0.296 nan 8.300 nan 0.000 0.522 5236 N N 7.032 125.140 118.700 -0.986 0.000 2.415 5236 N HA 0.275 5.007 4.740 -0.013 0.000 0.246 5236 N C -2.274 172.949 175.510 -0.479 0.000 1.078 5236 N CA -1.591 51.106 53.050 -0.588 0.000 0.942 5236 N CB 0.769 38.986 38.487 -0.450 0.000 1.140 5236 N HN 0.351 nan 8.380 nan 0.000 0.501 5237 P HA -0.124 nan 4.420 nan 0.000 0.221 5237 P C 0.614 177.939 177.300 0.041 0.000 1.150 5237 P CA 0.995 64.180 63.100 0.140 0.000 0.800 5237 P CB 0.283 32.054 31.700 0.119 0.000 0.787 5238 T N -0.626 113.910 114.554 -0.031 0.000 2.639 5238 T HA -0.048 4.294 4.350 -0.013 0.000 0.261 5238 T C 1.218 175.893 174.700 -0.042 0.000 1.053 5238 T CA 1.130 63.210 62.100 -0.033 0.000 1.158 5238 T CB -0.165 68.677 68.868 -0.043 0.000 0.863 5238 T HN 0.160 nan 8.240 nan 0.000 0.413 5239 Q N -0.956 118.793 119.800 -0.083 0.000 2.668 5239 Q HA 0.674 5.006 4.340 -0.013 0.000 0.298 5239 Q C -1.070 174.882 176.000 -0.080 0.000 1.071 5239 Q CA -0.807 54.957 55.803 -0.065 0.000 0.789 5239 Q CB 1.848 30.554 28.738 -0.053 0.000 1.497 5239 Q HN 0.360 nan 8.270 nan 0.000 0.460 5240 A N 1.070 123.864 122.820 -0.043 0.000 2.491 5240 A HA 0.330 4.642 4.320 -0.013 0.000 0.261 5240 A C -0.504 177.056 177.584 -0.040 0.000 1.101 5240 A CA 0.594 52.613 52.037 -0.029 0.000 0.772 5240 A CB -0.079 18.915 19.000 -0.011 0.000 1.043 5240 A HN 0.580 nan 8.150 nan 0.000 0.501 5241 E N 1.887 122.063 120.200 -0.039 0.000 2.651 5241 E HA 0.041 4.383 4.350 -0.013 0.000 0.360 5241 E C -1.113 175.492 176.600 0.009 0.000 0.932 5241 E CA -0.306 56.082 56.400 -0.019 0.000 0.761 5241 E CB 0.908 30.575 29.700 -0.056 0.000 1.462 5241 E HN 0.883 nan 8.360 nan 0.000 0.392 5242 E N 2.262 122.472 120.200 0.016 0.000 2.752 5242 E HA -0.098 4.244 4.350 -0.013 0.000 0.241 5242 E C 0.713 177.306 176.600 -0.012 0.000 1.016 5242 E CA 0.671 57.025 56.400 -0.077 0.000 0.952 5242 E CB 0.675 30.328 29.700 -0.079 0.000 0.921 5242 E HN 0.466 nan 8.360 nan 0.000 0.515 5243 T N 3.850 118.381 114.554 -0.037 0.000 2.985 5243 T HA -0.100 4.242 4.350 -0.013 0.000 0.266 5243 T C -0.019 174.646 174.700 -0.059 0.000 1.076 5243 T CA 0.829 63.003 62.100 0.123 0.000 1.135 5243 T CB -0.033 69.087 68.868 0.420 0.000 0.890 5243 T HN 0.506 nan 8.240 nan 0.000 0.480 5244 Y N 0.794 120.996 120.300 -0.163 0.000 2.345 5244 Y HA 0.727 5.271 4.550 -0.011 0.000 0.331 5244 Y C 0.151 175.796 175.900 -0.425 0.000 0.959 5244 Y CA -1.657 56.254 58.100 -0.315 0.000 1.204 5244 Y CB 0.525 38.917 38.460 -0.114 0.000 1.135 5244 Y HN -0.187 nan 8.280 nan 0.000 0.477 5245 S N 4.813 120.067 115.700 -0.744 0.000 2.670 5245 S HA -0.065 4.397 4.470 -0.013 0.000 0.308 5245 S C 1.219 175.815 174.600 -0.006 0.000 1.232 5245 S CA -0.403 57.548 58.200 -0.415 0.000 1.126 5245 S CB 0.064 63.113 63.200 -0.252 0.000 0.897 5245 S HN 0.881 nan 8.310 nan 0.000 0.508 5246 M N 6.689 126.329 119.600 0.067 0.000 2.374 5246 M HA 0.012 4.484 4.480 -0.013 0.000 0.264 5246 M C 1.355 177.760 176.300 0.175 0.000 1.067 5246 M CA 1.374 56.781 55.300 0.177 0.000 1.103 5246 M CB -0.516 32.172 32.600 0.148 0.000 1.402 5246 M HN 0.601 nan 8.290 nan 0.000 0.444 5247 V N -1.950 118.052 119.914 0.147 0.000 2.407 5247 V HA -0.119 3.993 4.120 -0.013 0.000 0.245 5247 V C 1.891 178.076 176.094 0.152 0.000 1.041 5247 V CA 1.938 64.328 62.300 0.151 0.000 1.040 5247 V CB -1.828 30.083 31.823 0.146 0.000 0.671 5247 V HN 0.405 nan 8.190 nan 0.000 0.455 5248 T N 0.528 115.162 114.554 0.133 0.000 3.155 5248 T HA 0.145 4.487 4.350 -0.013 0.000 0.264 5248 T C 1.704 176.481 174.700 0.128 0.000 1.160 5248 T CA 1.065 63.231 62.100 0.109 0.000 1.075 5248 T CB -0.176 68.730 68.868 0.064 0.000 0.921 5248 T HN 0.579 nan 8.240 nan 0.000 0.533 5249 A N 3.441 126.378 122.820 0.194 0.000 1.991 5249 A HA -0.016 4.296 4.320 -0.013 0.000 0.217 5249 A C 2.301 180.127 177.584 0.404 0.000 1.487 5249 A CA 0.880 53.105 52.037 0.314 0.000 0.603 5249 A CB -0.938 18.271 19.000 0.348 0.000 1.112 5249 A HN 0.507 nan 8.150 nan 0.000 0.492 5250 N N 0.571 119.492 118.700 0.367 0.000 2.064 5250 N HA -0.287 4.445 4.740 -0.013 0.000 0.200 5250 N C 1.390 177.057 175.510 0.262 0.000 1.028 5250 N CA 2.098 55.348 53.050 0.333 0.000 0.880 5250 N CB -0.704 37.925 38.487 0.237 0.000 1.062 5250 N HN 0.483 nan 8.380 nan 0.000 0.454 5251 R N -0.803 119.817 120.500 0.200 0.000 2.397 5251 R HA -0.080 4.252 4.340 -0.013 0.000 0.213 5251 R C 1.598 177.992 176.300 0.156 0.000 1.102 5251 R CA 0.653 56.841 56.100 0.148 0.000 1.040 5251 R CB -0.427 29.946 30.300 0.123 0.000 0.844 5251 R HN 0.469 nan 8.270 nan 0.000 0.478 5252 F N -0.972 118.983 119.950 0.008 0.000 2.287 5252 F HA -0.038 4.480 4.527 -0.016 0.000 0.276 5252 F C 1.393 177.121 175.800 -0.120 0.000 1.047 5252 F CA 0.291 58.197 58.000 -0.158 0.000 1.194 5252 F CB -0.315 38.442 39.000 -0.406 0.000 1.118 5252 F HN -0.136 nan 8.300 nan 0.000 0.556 5253 W N 0.940 122.189 121.300 -0.085 0.000 2.388 5253 W HA -0.054 4.590 4.660 -0.026 0.000 0.294 5253 W C 2.581 179.048 176.519 -0.087 0.000 1.212 5253 W CA 1.116 58.361 57.345 -0.167 0.000 1.271 5253 W CB -1.243 28.304 29.460 0.145 0.000 1.126 5253 W HN -0.056 nan 8.180 nan 0.000 0.535 5254 S N 0.360 116.171 115.700 0.186 0.000 2.407 5254 S HA -0.279 4.183 4.470 -0.013 0.000 0.235 5254 S C 1.588 176.195 174.600 0.012 0.000 1.036 5254 S CA 1.845 60.094 58.200 0.081 0.000 1.013 5254 S CB -0.375 62.876 63.200 0.084 0.000 0.820 5254 S HN 0.491 nan 8.310 nan 0.000 0.476 5255 Q N -1.189 118.588 119.800 -0.037 0.000 2.378 5255 Q HA 0.306 4.638 4.340 -0.013 0.000 0.216 5255 Q C 1.700 177.634 176.000 -0.110 0.000 0.892 5255 Q CA 0.204 55.967 55.803 -0.066 0.000 0.931 5255 Q CB 0.134 28.835 28.738 -0.062 0.000 1.086 5255 Q HN 0.445 nan 8.270 nan 0.000 0.528 5256 I N -1.031 119.415 120.570 -0.207 0.000 3.265 5256 I HA 0.058 4.220 4.170 -0.013 0.000 0.282 5256 I C 1.010 177.182 176.117 0.091 0.000 1.207 5256 I CA 0.751 61.932 61.300 -0.199 0.000 1.449 5256 I CB 0.474 38.089 38.000 -0.643 0.000 1.121 5256 I HN 0.128 nan 8.210 nan 0.000 0.442 5257 F N -0.799 119.152 119.950 0.001 0.000 2.817 5257 F HA 0.351 4.881 4.527 0.004 0.000 0.333 5257 F C 1.477 177.297 175.800 0.033 0.000 1.085 5257 F CA 0.432 58.468 58.000 0.061 0.000 1.170 5257 F CB 0.782 39.873 39.000 0.151 0.000 1.066 5257 F HN 0.084 nan 8.300 nan 0.000 0.564 5258 G N 2.020 110.802 108.800 -0.030 0.000 2.225 5258 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.254 5258 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.254 5258 G C -0.044 174.722 174.900 -0.223 0.000 0.988 5258 G CA 0.456 45.464 45.100 -0.154 0.000 0.625 5258 G HN 0.209 nan 8.290 nan 0.000 0.527 5259 I N 0.535 120.932 120.570 -0.287 0.000 2.785 5259 I HA 0.798 4.960 4.170 -0.013 0.000 0.302 5259 I C 0.186 176.317 176.117 0.025 0.000 1.069 5259 I CA -1.048 60.126 61.300 -0.209 0.000 1.045 5259 I CB 1.730 39.476 38.000 -0.422 0.000 1.236 5259 I HN 0.570 nan 8.210 nan 0.000 0.429 5260 A N 4.405 127.253 122.820 0.047 0.000 2.332 5260 A HA 0.516 4.828 4.320 -0.013 0.000 0.300 5260 A C -0.886 176.815 177.584 0.195 0.000 1.153 5260 A CA -0.459 51.685 52.037 0.177 0.000 0.764 5260 A CB 0.527 19.636 19.000 0.181 0.000 1.174 5260 A HN 0.633 nan 8.150 nan 0.000 0.467 5261 F N 3.216 123.247 119.950 0.135 0.000 2.651 5261 F HA 0.076 4.595 4.527 -0.014 0.000 0.367 5261 F C 0.576 176.473 175.800 0.163 0.000 1.225 5261 F CA -0.048 58.037 58.000 0.141 0.000 1.310 5261 F CB 0.127 39.169 39.000 0.069 0.000 1.724 5261 F HN 0.512 nan 8.300 nan 0.000 0.662 5262 S N 4.581 120.507 115.700 0.377 0.000 2.700 5262 S HA 0.129 4.591 4.470 -0.013 0.000 0.321 5262 S C -0.261 174.494 174.600 0.260 0.000 1.161 5262 S CA -0.266 58.093 58.200 0.266 0.000 1.078 5262 S CB -0.245 63.059 63.200 0.174 0.000 1.302 5262 S HN 0.782 nan 8.310 nan 0.000 0.540 5263 N N 1.948 120.796 118.700 0.247 0.000 5.813 5263 N HA -0.099 4.633 4.740 -0.013 0.000 0.191 5263 N C -1.085 174.523 175.510 0.164 0.000 1.064 5263 N CA -0.381 52.801 53.050 0.220 0.000 0.740 5263 N CB 0.030 38.675 38.487 0.264 0.000 1.686 5263 N HN 0.389 nan 8.380 nan 0.000 0.534 5264 K N 0.294 120.799 120.400 0.176 0.000 2.502 5264 K HA 0.196 4.508 4.320 -0.013 0.000 0.211 5264 K C 1.418 178.214 176.600 0.325 0.000 1.259 5264 K CA -0.498 55.870 56.287 0.135 0.000 0.983 5264 K CB 0.753 33.456 32.500 0.338 0.000 1.054 5264 K HN 0.261 nan 8.250 nan 0.000 0.572 5265 R N 1.582 122.272 120.500 0.317 0.000 2.075 5265 R HA -0.079 4.253 4.340 -0.013 0.000 0.232 5265 R C 1.544 178.111 176.300 0.445 0.000 1.126 5265 R CA 1.353 57.656 56.100 0.339 0.000 0.963 5265 R CB -0.340 30.119 30.300 0.265 0.000 0.858 5265 R HN 0.453 nan 8.270 nan 0.000 0.435 5266 W N 1.005 122.461 121.300 0.260 0.000 2.441 5266 W HA -0.156 4.495 4.660 -0.014 0.000 0.302 5266 W C 1.756 178.450 176.519 0.293 0.000 1.191 5266 W CA 0.797 58.372 57.345 0.384 0.000 1.327 5266 W CB -0.538 29.126 29.460 0.339 0.000 1.128 5266 W HN 0.123 nan 8.180 nan 0.000 0.522 5267 L N 0.990 122.132 121.223 -0.135 0.000 1.956 5267 L HA -0.327 4.005 4.340 -0.013 0.000 0.216 5267 L C 2.535 179.032 176.870 -0.622 0.000 1.073 5267 L CA 2.626 56.752 54.840 -1.189 0.000 0.762 5267 L CB -1.134 39.684 42.059 -2.069 0.000 0.889 5267 L HN -0.028 nan 8.230 nan 0.000 0.433 5268 H N -1.740 117.145 119.070 -0.309 0.000 2.489 5268 H HA -0.203 4.346 4.556 -0.012 0.000 0.295 5268 H C 1.531 176.861 175.328 0.003 0.000 1.082 5268 H CA 1.978 57.936 56.048 -0.150 0.000 1.295 5268 H CB -0.057 29.715 29.762 0.016 0.000 1.380 5268 H HN 0.533 nan 8.280 nan 0.000 0.548 5269 F N 0.040 119.995 119.950 0.009 0.000 2.188 5269 F HA -0.048 4.473 4.527 -0.010 0.000 0.289 5269 F C 1.982 177.764 175.800 -0.030 0.000 1.082 5269 F CA 0.205 58.225 58.000 0.035 0.000 1.282 5269 F CB -0.937 38.125 39.000 0.103 0.000 1.060 5269 F HN 0.093 nan 8.300 nan 0.000 0.493 5270 F N 1.557 120.931 119.950 -0.959 0.000 2.287 5270 F HA -0.207 4.312 4.527 -0.014 0.000 0.301 5270 F C 1.866 177.350 175.800 -0.526 0.000 1.069 5270 F CA 1.406 58.703 58.000 -1.172 0.000 1.372 5270 F CB -0.849 37.442 39.000 -1.182 0.000 1.056 5270 F HN 0.123 nan 8.300 nan 0.000 0.523 5271 M N -0.824 118.573 119.600 -0.338 0.000 2.419 5271 M HA -0.074 4.398 4.480 -0.013 0.000 0.264 5271 M C 2.149 178.377 176.300 -0.120 0.000 1.082 5271 M CA 0.924 56.058 55.300 -0.276 0.000 1.119 5271 M CB -0.314 32.180 32.600 -0.176 0.000 1.398 5271 M HN 0.334 nan 8.290 nan 0.000 0.453 5272 L N -0.275 120.928 121.223 -0.034 0.000 2.044 5272 L HA -0.072 4.260 4.340 -0.013 0.000 0.205 5272 L C 2.181 179.071 176.870 0.032 0.000 1.075 5272 L CA 1.495 56.373 54.840 0.065 0.000 0.747 5272 L CB -0.514 41.684 42.059 0.232 0.000 0.903 5272 L HN 0.128 nan 8.230 nan 0.000 0.435 5273 F N -0.112 119.733 119.950 -0.174 0.000 2.010 5273 F HA -0.245 4.273 4.527 -0.015 0.000 0.296 5273 F C 2.249 178.008 175.800 -0.069 0.000 1.146 5273 F CA 2.459 60.385 58.000 -0.123 0.000 1.181 5273 F CB -0.619 38.238 39.000 -0.239 0.000 0.965 5273 F HN -0.084 nan 8.300 nan 0.000 0.480 5274 V N 1.198 121.306 119.914 0.323 0.000 2.277 5274 V HA -0.433 3.679 4.120 -0.013 0.000 0.255 5274 V C -0.327 175.753 176.094 -0.023 0.000 1.059 5274 V CA 3.030 65.422 62.300 0.154 0.000 1.096 5274 V CB -2.298 29.450 31.823 -0.125 0.000 0.741 5274 V HN 0.317 nan 8.190 nan 0.000 0.476 5275 P HA -0.115 nan 4.420 nan 0.000 0.199 5275 P C 1.804 179.053 177.300 -0.085 0.000 1.118 5275 P CA 2.555 65.611 63.100 -0.073 0.000 0.913 5275 P CB -0.522 31.139 31.700 -0.065 0.000 0.738 5276 V N -2.697 117.177 119.914 -0.068 0.000 2.310 5276 V HA -0.405 3.708 4.120 -0.013 0.000 0.263 5276 V C 1.956 178.088 176.094 0.063 0.000 1.108 5276 V CA 3.131 65.433 62.300 0.004 0.000 1.104 5276 V CB -2.751 29.068 31.823 -0.006 0.000 0.736 5276 V HN 0.164 nan 8.190 nan 0.000 0.456 5277 T N 0.792 115.204 114.554 -0.237 0.000 2.614 5277 T HA -0.002 4.340 4.350 -0.013 0.000 0.263 5277 T C 1.961 176.656 174.700 -0.008 0.000 1.055 5277 T CA 2.339 64.262 62.100 -0.296 0.000 1.162 5277 T CB -1.169 67.192 68.868 -0.846 0.000 0.863 5277 T HN 0.854 nan 8.240 nan 0.000 0.414 5278 G N 1.419 110.204 108.800 -0.026 0.000 2.513 5278 G HA2 -0.235 3.717 3.960 -0.013 0.000 0.219 5278 G HA3 -0.235 3.717 3.960 -0.013 0.000 0.219 5278 G C 1.550 176.465 174.900 0.026 0.000 1.160 5278 G CA 1.030 46.141 45.100 0.018 0.000 0.767 5278 G HN 0.457 nan 8.290 nan 0.000 0.571 5279 L N -1.268 119.951 121.223 -0.007 0.000 1.997 5279 L HA -0.195 4.137 4.340 -0.013 0.000 0.216 5279 L C 2.784 179.607 176.870 -0.079 0.000 1.074 5279 L CA 1.770 56.568 54.840 -0.071 0.000 0.763 5279 L CB -0.467 41.510 42.059 -0.137 0.000 0.890 5279 L HN 0.355 nan 8.230 nan 0.000 0.434 5280 W N -0.777 120.472 121.300 -0.086 0.000 2.318 5280 W HA -0.255 4.396 4.660 -0.015 0.000 0.313 5280 W C 2.639 179.110 176.519 -0.080 0.000 1.221 5280 W CA 0.912 58.210 57.345 -0.079 0.000 1.266 5280 W CB -0.371 29.037 29.460 -0.086 0.000 1.150 5280 W HN 0.097 nan 8.180 nan 0.000 0.496 5281 M N 0.066 119.775 119.600 0.182 0.000 2.435 5281 M HA -0.146 4.326 4.480 -0.013 0.000 0.262 5281 M C 1.700 178.063 176.300 0.105 0.000 1.065 5281 M CA 1.430 56.816 55.300 0.145 0.000 1.076 5281 M CB -1.798 30.955 32.600 0.256 0.000 1.403 5281 M HN -0.048 nan 8.290 nan 0.000 0.454 5282 S N 0.965 116.716 115.700 0.085 0.000 2.341 5282 S HA 0.120 4.582 4.470 -0.013 0.000 0.216 5282 S C 2.206 176.888 174.600 0.136 0.000 1.034 5282 S CA 0.849 59.154 58.200 0.176 0.000 0.964 5282 S CB -0.579 62.676 63.200 0.091 0.000 0.882 5282 S HN 0.530 nan 8.310 nan 0.000 0.469 5283 A N 1.873 124.673 122.820 -0.033 0.000 1.948 5283 A HA -0.110 4.202 4.320 -0.013 0.000 0.220 5283 A C 2.055 179.590 177.584 -0.082 0.000 1.177 5283 A CA 1.356 53.329 52.037 -0.106 0.000 0.636 5283 A CB -0.933 17.891 19.000 -0.293 0.000 0.815 5283 A HN 0.482 nan 8.150 nan 0.000 0.449 5284 I N -0.789 119.694 120.570 -0.145 0.000 2.094 5284 I HA -0.174 3.988 4.170 -0.013 0.000 0.234 5284 I C 2.850 178.843 176.117 -0.207 0.000 1.063 5284 I CA 1.115 62.230 61.300 -0.308 0.000 1.328 5284 I CB -1.231 36.251 38.000 -0.864 0.000 1.058 5284 I HN 0.388 nan 8.210 nan 0.000 0.400 5285 G N 0.844 109.564 108.800 -0.133 0.000 2.679 5285 G HA2 -0.360 3.592 3.960 -0.013 0.000 0.222 5285 G HA3 -0.360 3.592 3.960 -0.013 0.000 0.222 5285 G C 1.812 176.957 174.900 0.408 0.000 1.164 5285 G CA 1.623 47.022 45.100 0.498 0.000 0.769 5285 G HN 0.333 nan 8.290 nan 0.000 0.610 5286 V N 0.047 120.044 119.914 0.139 0.000 2.407 5286 V HA -0.130 3.982 4.120 -0.013 0.000 0.248 5286 V C 2.912 178.941 176.094 -0.109 0.000 1.055 5286 V CA 2.087 64.233 62.300 -0.257 0.000 1.049 5286 V CB -0.288 31.395 31.823 -0.234 0.000 0.662 5286 V HN 0.218 nan 8.190 nan 0.000 0.455 5287 V N 0.980 120.882 119.914 -0.019 0.000 2.317 5287 V HA -0.261 3.851 4.120 -0.013 0.000 0.251 5287 V C 2.600 178.706 176.094 0.020 0.000 1.065 5287 V CA 2.454 64.763 62.300 0.015 0.000 1.049 5287 V CB -1.345 30.483 31.823 0.008 0.000 0.651 5287 V HN 0.694 nan 8.190 nan 0.000 0.450 5288 G N -0.279 108.542 108.800 0.035 0.000 2.545 5288 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.217 5288 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.217 5288 G C 1.454 176.327 174.900 -0.045 0.000 1.218 5288 G CA 1.307 46.439 45.100 0.053 0.000 0.787 5288 G HN 0.516 nan 8.290 nan 0.000 0.571 5289 L N 1.051 122.148 121.223 -0.211 0.000 2.270 5289 L HA -0.188 4.144 4.340 -0.013 0.000 0.217 5289 L C 3.326 180.113 176.870 -0.140 0.000 1.107 5289 L CA 0.853 55.375 54.840 -0.530 0.000 0.772 5289 L CB -0.554 40.793 42.059 -1.186 0.000 0.902 5289 L HN 0.343 nan 8.230 nan 0.000 0.439 5290 A N 0.589 123.445 122.820 0.060 0.000 1.858 5290 A HA -0.111 4.201 4.320 -0.013 0.000 0.216 5290 A C 1.796 179.431 177.584 0.085 0.000 1.190 5290 A CA 1.286 53.439 52.037 0.194 0.000 0.617 5290 A CB -0.601 18.480 19.000 0.135 0.000 0.827 5290 A HN 0.427 nan 8.150 nan 0.000 0.443 5291 L N -0.327 120.923 121.223 0.044 0.000 2.928 5291 L HA 0.173 4.505 4.340 -0.013 0.000 0.236 5291 L C 0.308 177.193 176.870 0.024 0.000 1.290 5291 L CA -0.303 54.555 54.840 0.030 0.000 1.099 5291 L CB -0.653 41.425 42.059 0.032 0.000 1.437 5291 L HN 0.355 nan 8.230 nan 0.000 0.493 5292 N N 0.671 119.384 118.700 0.022 0.000 2.653 5292 N HA -0.232 4.500 4.740 -0.013 0.000 0.248 5292 N C 0.136 175.660 175.510 0.024 0.000 1.154 5292 N CA 0.921 53.988 53.050 0.028 0.000 0.780 5292 N CB -0.710 37.798 38.487 0.036 0.000 1.155 5292 N HN 0.419 nan 8.380 nan 0.000 0.570 5293 L N 1.600 122.834 121.223 0.018 0.000 2.433 5293 L HA 0.103 4.435 4.340 -0.013 0.000 0.284 5293 L C 1.058 177.964 176.870 0.060 0.000 1.120 5293 L CA 0.078 54.950 54.840 0.053 0.000 0.879 5293 L CB 0.165 42.263 42.059 0.065 0.000 1.232 5293 L HN 0.090 nan 8.230 nan 0.000 0.454 5294 R N 1.445 122.002 120.500 0.095 0.000 2.888 5294 R HA 0.495 4.827 4.340 -0.013 0.000 0.266 5294 R C -0.711 175.708 176.300 0.198 0.000 1.020 5294 R CA -0.896 55.287 56.100 0.139 0.000 0.963 5294 R CB 1.581 31.952 30.300 0.118 0.000 1.197 5294 R HN 0.167 nan 8.270 nan 0.000 0.481 5295 S N 0.892 116.734 115.700 0.238 0.000 2.665 5295 S HA 0.182 4.644 4.470 -0.013 0.000 0.230 5295 S C -0.949 173.853 174.600 0.337 0.000 1.326 5295 S CA -0.510 57.830 58.200 0.233 0.000 1.055 5295 S CB -0.243 63.060 63.200 0.171 0.000 1.178 5295 S HN 0.620 nan 8.310 nan 0.000 0.489 5296 Y N 3.288 123.699 120.300 0.185 0.000 2.576 5296 Y HA 0.166 4.707 4.550 -0.014 0.000 0.282 5296 Y C 1.482 177.544 175.900 0.271 0.000 1.139 5296 Y CA 0.463 58.691 58.100 0.213 0.000 1.265 5296 Y CB -0.768 37.791 38.460 0.167 0.000 1.376 5296 Y HN 0.667 nan 8.280 nan 0.000 0.511 5297 D N 0.347 120.890 120.400 0.238 0.000 3.416 5297 D HA -0.379 4.253 4.640 -0.013 0.000 0.482 5297 D C -0.119 176.311 176.300 0.217 0.000 0.637 5297 D CA 2.812 56.898 54.000 0.144 0.000 1.113 5297 D CB -0.420 40.440 40.800 0.099 0.000 0.485 5297 D HN 0.354 nan 8.370 nan 0.000 0.227 5298 F N -1.572 118.332 119.950 -0.076 0.000 2.916 5298 F HA -0.203 4.316 4.527 -0.013 0.000 0.333 5298 F C 1.399 177.151 175.800 -0.079 0.000 0.931 5298 F CA 0.189 58.074 58.000 -0.191 0.000 1.314 5298 F CB -1.552 37.089 39.000 -0.597 0.000 1.438 5298 F HN 0.276 nan 8.300 nan 0.000 0.627 5299 I N 0.041 120.639 120.570 0.046 0.000 2.064 5299 I HA -0.504 3.658 4.170 -0.013 0.000 0.234 5299 I C 2.476 178.644 176.117 0.086 0.000 1.019 5299 I CA 2.148 63.485 61.300 0.061 0.000 1.301 5299 I CB -0.834 37.169 38.000 0.005 0.000 1.017 5299 I HN 0.576 nan 8.210 nan 0.000 0.392 5300 S N -0.122 115.594 115.700 0.026 0.000 2.511 5300 S HA -0.374 4.088 4.470 -0.013 0.000 0.282 5300 S C 1.915 176.580 174.600 0.109 0.000 1.179 5300 S CA 2.332 60.555 58.200 0.039 0.000 1.125 5300 S CB -0.312 62.893 63.200 0.009 0.000 1.035 5300 S HN 0.434 nan 8.310 nan 0.000 0.452 5301 Q N 0.327 120.266 119.800 0.232 0.000 1.990 5301 Q HA 0.085 4.417 4.340 -0.013 0.000 0.195 5301 Q C 2.411 178.613 176.000 0.338 0.000 0.977 5301 Q CA 1.133 57.159 55.803 0.371 0.000 0.828 5301 Q CB -0.888 28.192 28.738 0.569 0.000 0.896 5301 Q HN 0.653 nan 8.270 nan 0.000 0.447 5302 E N 0.798 121.202 120.200 0.341 0.000 2.187 5302 E HA -0.202 4.140 4.350 -0.013 0.000 0.199 5302 E C 1.970 178.649 176.600 0.130 0.000 1.004 5302 E CA 0.730 57.259 56.400 0.215 0.000 0.813 5302 E CB -0.234 29.570 29.700 0.172 0.000 0.736 5302 E HN 0.192 nan 8.360 nan 0.000 0.468 5303 I N 0.847 121.477 120.570 0.100 0.000 2.394 5303 I HA -0.192 3.970 4.170 -0.013 0.000 0.251 5303 I C 2.315 178.449 176.117 0.029 0.000 1.136 5303 I CA 1.223 62.552 61.300 0.048 0.000 1.425 5303 I CB -0.057 37.959 38.000 0.026 0.000 1.079 5303 I HN -0.113 nan 8.210 nan 0.000 0.425 5304 R N -0.284 120.229 120.500 0.022 0.000 2.317 5304 R HA 0.189 4.521 4.340 -0.013 0.000 0.208 5304 R C 1.905 178.233 176.300 0.047 0.000 0.914 5304 R CA 0.737 56.800 56.100 -0.062 0.000 1.060 5304 R CB 0.018 30.173 30.300 -0.241 0.000 1.015 5304 R HN 0.342 nan 8.270 nan 0.000 0.498 5305 A N 0.543 123.471 122.820 0.181 0.000 2.016 5305 A HA 0.077 4.389 4.320 -0.013 0.000 0.217 5305 A C 2.134 179.793 177.584 0.125 0.000 1.162 5305 A CA 1.083 53.268 52.037 0.247 0.000 0.662 5305 A CB -0.316 18.790 19.000 0.177 0.000 0.812 5305 A HN 0.446 nan 8.150 nan 0.000 0.450 5306 A N 0.679 123.544 122.820 0.075 0.000 1.829 5306 A HA -0.096 4.216 4.320 -0.013 0.000 0.216 5306 A C 1.428 179.035 177.584 0.039 0.000 1.207 5306 A CA 1.443 53.505 52.037 0.042 0.000 0.622 5306 A CB -0.753 18.263 19.000 0.026 0.000 0.846 5306 A HN 0.642 nan 8.150 nan 0.000 0.447 5307 E N -0.971 119.245 120.200 0.027 0.000 4.395 5307 E HA 0.089 4.431 4.350 -0.013 0.000 0.464 5307 E C -0.200 176.426 176.600 0.043 0.000 1.522 5307 E CA -0.095 56.316 56.400 0.019 0.000 2.845 5307 E CB -0.096 29.602 29.700 -0.004 0.000 1.408 5307 E HN 0.388 nan 8.360 nan 0.000 0.692 5308 D N 1.398 121.816 120.400 0.030 0.000 2.813 5308 D HA -0.133 4.499 4.640 -0.013 0.000 0.218 5308 D C -1.415 174.956 176.300 0.119 0.000 1.240 5308 D CA 0.173 54.211 54.000 0.064 0.000 0.644 5308 D CB -0.251 40.574 40.800 0.041 0.000 0.966 5308 D HN 0.220 nan 8.370 nan 0.000 0.398 5309 P HA -0.165 nan 4.420 nan 0.000 0.231 5309 P C 0.832 178.160 177.300 0.046 0.000 1.154 5309 P CA 1.027 64.159 63.100 0.053 0.000 0.762 5309 P CB 0.034 31.749 31.700 0.024 0.000 0.790 5310 E N -1.026 119.218 120.200 0.073 0.000 2.498 5310 E HA 0.042 4.384 4.350 -0.013 0.000 0.203 5310 E C 0.237 176.888 176.600 0.085 0.000 1.013 5310 E CA -0.665 55.766 56.400 0.050 0.000 0.927 5310 E CB -0.376 29.346 29.700 0.038 0.000 1.012 5310 E HN 0.222 nan 8.360 nan 0.000 0.482 5311 F N 2.170 122.103 119.950 -0.029 0.000 2.404 5311 F HA 0.493 5.012 4.527 -0.013 0.000 0.345 5311 F C -0.555 175.220 175.800 -0.041 0.000 1.110 5311 F CA -0.656 57.328 58.000 -0.027 0.000 1.130 5311 F CB 1.337 40.331 39.000 -0.011 0.000 1.129 5311 F HN -0.131 nan 8.300 nan 0.000 0.500 5312 E N 4.322 124.093 120.200 -0.714 0.000 2.291 5312 E HA 0.318 4.660 4.350 -0.013 0.000 0.276 5312 E C -1.332 174.905 176.600 -0.604 0.000 0.896 5312 E CA -0.709 55.247 56.400 -0.740 0.000 0.774 5312 E CB 1.739 31.198 29.700 -0.402 0.000 1.227 5312 E HN 0.851 nan 8.360 nan 0.000 0.413 5313 T N 0.174 114.386 114.554 -0.571 0.000 2.948 5313 T HA 0.363 4.705 4.350 -0.013 0.000 0.285 5313 T C 0.850 175.418 174.700 -0.220 0.000 1.019 5313 T CA -0.608 61.337 62.100 -0.259 0.000 1.013 5313 T CB 0.619 69.459 68.868 -0.048 0.000 1.117 5313 T HN 0.353 nan 8.240 nan 0.000 0.533 5314 F N -0.423 119.470 119.950 -0.096 0.000 2.102 5314 F HA -0.003 4.520 4.527 -0.008 0.000 0.298 5314 F C 2.378 178.126 175.800 -0.087 0.000 1.105 5314 F CA 1.719 59.666 58.000 -0.088 0.000 1.239 5314 F CB -0.674 38.291 39.000 -0.058 0.000 0.991 5314 F HN 0.837 nan 8.300 nan 0.000 0.474 5315 Y N 0.559 120.854 120.300 -0.009 0.000 2.062 5315 Y HA -0.476 4.065 4.550 -0.015 0.000 0.273 5315 Y C 2.749 178.575 175.900 -0.123 0.000 1.206 5315 Y CA 2.379 60.394 58.100 -0.141 0.000 1.125 5315 Y CB -0.953 37.325 38.460 -0.303 0.000 0.951 5315 Y HN 0.157 nan 8.280 nan 0.000 0.501 5316 T N -0.657 113.520 114.554 -0.628 0.000 2.668 5316 T HA -0.249 4.093 4.350 -0.013 0.000 0.262 5316 T C 1.962 176.440 174.700 -0.371 0.000 1.045 5316 T CA 2.034 63.706 62.100 -0.713 0.000 1.152 5316 T CB -0.609 67.946 68.868 -0.522 0.000 0.864 5316 T HN 0.508 nan 8.240 nan 0.000 0.419 5317 K N 0.271 120.505 120.400 -0.276 0.000 2.189 5317 K HA -0.206 4.106 4.320 -0.013 0.000 0.207 5317 K C 2.225 178.763 176.600 -0.103 0.000 1.046 5317 K CA 1.828 57.996 56.287 -0.197 0.000 0.928 5317 K CB -0.151 32.197 32.500 -0.253 0.000 0.720 5317 K HN 0.327 nan 8.250 nan 0.000 0.458 5318 N N 0.660 119.323 118.700 -0.061 0.000 2.197 5318 N HA -0.095 4.637 4.740 -0.013 0.000 0.184 5318 N C 1.736 177.235 175.510 -0.018 0.000 1.030 5318 N CA 0.768 53.820 53.050 0.003 0.000 0.851 5318 N CB -0.295 38.227 38.487 0.059 0.000 1.003 5318 N HN 0.174 nan 8.380 nan 0.000 0.430 5319 L N 1.086 122.260 121.223 -0.082 0.000 2.151 5319 L HA -0.181 4.151 4.340 -0.013 0.000 0.215 5319 L C 2.120 178.986 176.870 -0.007 0.000 1.084 5319 L CA 1.035 55.847 54.840 -0.047 0.000 0.764 5319 L CB -0.160 41.695 42.059 -0.339 0.000 0.891 5319 L HN 0.210 nan 8.230 nan 0.000 0.435 5320 L N -0.947 120.234 121.223 -0.070 0.000 2.093 5320 L HA -0.240 4.092 4.340 -0.013 0.000 0.208 5320 L C 2.461 179.332 176.870 0.001 0.000 1.085 5320 L CA 0.983 55.799 54.840 -0.040 0.000 0.755 5320 L CB -0.126 41.887 42.059 -0.076 0.000 0.904 5320 L HN 0.329 nan 8.230 nan 0.000 0.435 5321 L N -0.365 120.857 121.223 -0.001 0.000 1.990 5321 L HA -0.324 4.008 4.340 -0.013 0.000 0.213 5321 L C 2.119 179.009 176.870 0.032 0.000 1.072 5321 L CA 2.110 56.952 54.840 0.004 0.000 0.755 5321 L CB -0.859 41.201 42.059 0.001 0.000 0.889 5321 L HN 0.413 nan 8.230 nan 0.000 0.432 5322 N N -0.131 118.608 118.700 0.064 0.000 2.027 5322 N HA -0.280 4.452 4.740 -0.013 0.000 0.200 5322 N C 1.529 177.108 175.510 0.114 0.000 1.042 5322 N CA 1.893 55.000 53.050 0.095 0.000 0.871 5322 N CB -0.258 38.328 38.487 0.165 0.000 1.063 5322 N HN 0.406 nan 8.380 nan 0.000 0.438 5323 E N -0.153 120.122 120.200 0.124 0.000 2.339 5323 E HA -0.197 4.145 4.350 -0.013 0.000 0.201 5323 E C 1.937 178.594 176.600 0.094 0.000 1.015 5323 E CA 0.927 57.392 56.400 0.107 0.000 0.841 5323 E CB -0.262 29.483 29.700 0.074 0.000 0.754 5323 E HN 0.538 nan 8.360 nan 0.000 0.508 5324 G N 1.205 110.064 108.800 0.098 0.000 2.437 5324 G HA2 -0.100 3.852 3.960 -0.013 0.000 0.212 5324 G HA3 -0.100 3.852 3.960 -0.013 0.000 0.212 5324 G C 1.569 176.588 174.900 0.198 0.000 1.174 5324 G CA -0.015 45.181 45.100 0.160 0.000 0.811 5324 G HN 0.099 nan 8.290 nan 0.000 0.537 5325 I N 0.650 121.277 120.570 0.094 0.000 2.315 5325 I HA -0.244 3.918 4.170 -0.013 0.000 0.251 5325 I C 2.956 179.129 176.117 0.093 0.000 1.125 5325 I CA 1.010 62.343 61.300 0.055 0.000 1.392 5325 I CB -0.219 37.772 38.000 -0.016 0.000 1.065 5325 I HN 0.133 nan 8.210 nan 0.000 0.424 5326 R N 0.969 121.586 120.500 0.196 0.000 2.104 5326 R HA -0.075 4.257 4.340 -0.013 0.000 0.219 5326 R C 2.504 178.837 176.300 0.055 0.000 1.150 5326 R CA 1.324 57.643 56.100 0.364 0.000 0.900 5326 R CB -0.894 29.586 30.300 0.300 0.000 0.804 5326 R HN 0.281 nan 8.270 nan 0.000 0.448 5327 A N 0.568 123.308 122.820 -0.133 0.000 2.054 5327 A HA -0.241 4.071 4.320 -0.013 0.000 0.225 5327 A C 1.793 179.025 177.584 -0.585 0.000 1.209 5327 A CA 2.143 53.866 52.037 -0.524 0.000 0.678 5327 A CB -0.948 17.783 19.000 -0.448 0.000 0.823 5327 A HN 0.563 nan 8.150 nan 0.000 0.484 5328 W N -0.738 120.431 121.300 -0.218 0.000 2.580 5328 W HA 0.138 4.791 4.660 -0.012 0.000 0.287 5328 W C 2.747 179.229 176.519 -0.062 0.000 1.175 5328 W CA 1.018 58.284 57.345 -0.133 0.000 1.409 5328 W CB -0.487 28.922 29.460 -0.084 0.000 1.101 5328 W HN 0.483 nan 8.180 nan 0.000 0.558 5329 M N -0.385 119.314 119.600 0.165 0.000 2.248 5329 M HA 0.255 4.727 4.480 -0.013 0.000 0.265 5329 M C 2.195 178.548 176.300 0.088 0.000 1.079 5329 M CA 1.848 57.208 55.300 0.100 0.000 1.150 5329 M CB -1.204 31.415 32.600 0.032 0.000 1.366 5329 M HN -0.128 nan 8.290 nan 0.000 0.433 5330 A N 2.415 125.292 122.820 0.096 0.000 1.944 5330 A HA -0.204 4.108 4.320 -0.013 0.000 0.222 5330 A C 0.221 177.924 177.584 0.199 0.000 1.237 5330 A CA 2.603 54.713 52.037 0.123 0.000 0.668 5330 A CB -2.479 16.484 19.000 -0.061 0.000 0.830 5330 A HN 0.613 nan 8.150 nan 0.000 0.471 5331 P HA -0.191 nan 4.420 nan 0.000 0.216 5331 P C 1.136 178.528 177.300 0.152 0.000 1.150 5331 P CA 1.876 65.156 63.100 0.300 0.000 0.837 5331 P CB -0.145 31.746 31.700 0.319 0.000 0.786 5332 Q N -1.315 118.550 119.800 0.107 0.000 2.373 5332 Q HA -0.024 4.308 4.340 -0.013 0.000 0.210 5332 Q C 1.924 177.949 176.000 0.042 0.000 0.913 5332 Q CA 0.503 56.335 55.803 0.048 0.000 0.911 5332 Q CB -0.212 28.554 28.738 0.048 0.000 1.040 5332 Q HN 0.149 nan 8.270 nan 0.000 0.521 5333 D N 1.214 121.652 120.400 0.064 0.000 2.123 5333 D HA -0.106 4.526 4.640 -0.013 0.000 0.200 5333 D C 0.264 176.605 176.300 0.068 0.000 0.976 5333 D CA 1.035 55.076 54.000 0.069 0.000 0.831 5333 D CB 0.342 41.146 40.800 0.008 0.000 0.974 5333 D HN 0.081 nan 8.370 nan 0.000 0.469 5334 Q N 0.679 120.497 119.800 0.031 0.000 2.788 5334 Q HA 0.212 4.544 4.340 -0.013 0.000 0.278 5334 Q C -1.822 173.935 176.000 -0.405 0.000 1.126 5334 Q CA -1.516 54.181 55.803 -0.176 0.000 1.017 5334 Q CB 1.744 30.522 28.738 0.068 0.000 1.219 5334 Q HN 0.281 nan 8.270 nan 0.000 0.503 5335 P HA -0.233 nan 4.420 nan 0.000 0.217 5335 P C 0.711 177.775 177.300 -0.392 0.000 1.150 5335 P CA 1.515 64.442 63.100 -0.288 0.000 0.832 5335 P CB 0.106 31.701 31.700 -0.176 0.000 0.787 5336 H N -1.129 117.746 119.070 -0.325 0.000 2.567 5336 H HA 0.077 4.625 4.556 -0.014 0.000 0.276 5336 H C 1.532 176.663 175.328 -0.329 0.000 1.016 5336 H CA 0.858 56.715 56.048 -0.319 0.000 1.186 5336 H CB -0.773 28.742 29.762 -0.411 0.000 1.351 5336 H HN 0.162 nan 8.280 nan 0.000 0.605 5337 E N 0.500 120.216 120.200 -0.807 0.000 2.460 5337 E HA 0.052 4.394 4.350 -0.013 0.000 0.200 5337 E C -0.272 175.903 176.600 -0.708 0.000 1.011 5337 E CA 0.233 56.148 56.400 -0.809 0.000 0.912 5337 E CB 0.085 28.974 29.700 -1.352 0.000 0.953 5337 E HN 0.640 nan 8.360 nan 0.000 0.494 5338 N N -0.092 118.317 118.700 -0.484 0.000 2.714 5338 N HA -0.246 4.486 4.740 -0.013 0.000 0.252 5338 N C -0.902 174.409 175.510 -0.332 0.000 1.014 5338 N CA 0.412 53.273 53.050 -0.315 0.000 0.735 5338 N CB -2.035 36.309 38.487 -0.237 0.000 0.924 5338 N HN 0.053 nan 8.380 nan 0.000 0.540 5339 F N -0.030 119.736 119.950 -0.306 0.000 2.589 5339 F HA 0.265 4.785 4.527 -0.013 0.000 0.352 5339 F C 1.262 176.729 175.800 -0.555 0.000 1.168 5339 F CA -0.314 57.397 58.000 -0.482 0.000 1.353 5339 F CB 0.614 39.320 39.000 -0.491 0.000 1.116 5339 F HN -0.056 nan 8.300 nan 0.000 0.608 5340 V N 3.855 123.440 119.914 -0.548 0.000 2.567 5340 V HA 0.314 4.426 4.120 -0.013 0.000 0.298 5340 V C -1.144 174.596 176.094 -0.590 0.000 1.047 5340 V CA -0.843 61.193 62.300 -0.440 0.000 0.880 5340 V CB 1.383 33.067 31.823 -0.232 0.000 1.009 5340 V HN 0.417 nan 8.190 nan 0.000 0.429 5341 F N 4.731 124.638 119.950 -0.073 0.000 2.434 5341 F HA 0.633 5.153 4.527 -0.013 0.000 0.355 5341 F C -2.099 173.621 175.800 -0.134 0.000 1.115 5341 F CA -2.578 55.345 58.000 -0.129 0.000 1.010 5341 F CB 1.468 40.336 39.000 -0.220 0.000 1.234 5341 F HN 0.296 nan 8.300 nan 0.000 0.439 5342 P HA 0.077 nan 4.420 nan 0.000 0.269 5342 P C 1.052 178.338 177.300 -0.023 0.000 1.209 5342 P CA -0.106 62.996 63.100 0.002 0.000 0.776 5342 P CB 0.858 32.557 31.700 -0.002 0.000 0.876 5343 E N 1.888 122.070 120.200 -0.031 0.000 2.200 5343 E HA -0.316 4.026 4.350 -0.013 0.000 0.211 5343 E C 1.483 178.054 176.600 -0.047 0.000 1.048 5343 E CA 2.072 58.448 56.400 -0.040 0.000 0.851 5343 E CB -0.007 29.685 29.700 -0.013 0.000 0.747 5343 E HN 0.694 nan 8.360 nan 0.000 0.462 5344 E N 0.446 120.627 120.200 -0.031 0.000 2.016 5344 E HA -0.127 4.215 4.350 -0.013 0.000 0.190 5344 E C 2.307 178.881 176.600 -0.045 0.000 0.985 5344 E CA 1.691 58.075 56.400 -0.027 0.000 0.802 5344 E CB -0.734 28.957 29.700 -0.014 0.000 0.762 5344 E HN 0.205 nan 8.360 nan 0.000 0.448 5345 V N 1.147 121.033 119.914 -0.046 0.000 2.636 5345 V HA -0.170 3.942 4.120 -0.013 0.000 0.258 5345 V C 1.414 177.420 176.094 -0.146 0.000 1.092 5345 V CA 0.796 63.057 62.300 -0.066 0.000 1.110 5345 V CB -1.086 30.728 31.823 -0.015 0.000 0.685 5345 V HN 0.181 nan 8.190 nan 0.000 0.481 5346 L N 3.221 124.315 121.223 -0.215 0.000 2.477 5346 L HA 0.288 4.620 4.340 -0.013 0.000 0.272 5346 L C -1.814 175.014 176.870 -0.069 0.000 1.157 5346 L CA -1.500 53.149 54.840 -0.318 0.000 0.889 5346 L CB -0.145 41.554 42.059 -0.599 0.000 1.158 5346 L HN 0.263 nan 8.230 nan 0.000 0.473 5347 P HA 0.298 nan 4.420 nan 0.000 0.271 5347 P C -0.734 176.686 177.300 0.200 0.000 1.220 5347 P CA -0.213 62.939 63.100 0.086 0.000 0.768 5347 P CB 0.899 32.636 31.700 0.063 0.000 0.848 5348 R N 1.312 121.883 120.500 0.120 0.000 2.663 5348 R HA 0.589 4.921 4.340 -0.013 0.000 0.267 5348 R C 0.115 176.440 176.300 0.041 0.000 1.038 5348 R CA -0.901 55.262 56.100 0.105 0.000 0.886 5348 R CB 1.496 31.884 30.300 0.145 0.000 1.249 5348 R HN 0.503 nan 8.270 nan 0.000 0.463 5349 G N 0.222 109.029 108.800 0.013 0.000 2.580 5349 G HA2 0.123 4.075 3.960 -0.013 0.000 0.278 5349 G HA3 0.123 4.075 3.960 -0.013 0.000 0.278 5349 G C -0.514 174.386 174.900 -0.000 0.000 1.212 5349 G CA -0.545 44.553 45.100 -0.004 0.000 0.939 5349 G HN 0.593 nan 8.290 nan 0.000 0.513 5350 N N -0.077 118.619 118.700 -0.007 0.000 2.416 5350 N HA 0.416 5.148 4.740 -0.013 0.000 0.265 5350 N C 0.624 176.130 175.510 -0.007 0.000 1.195 5350 N CA 1.100 54.148 53.050 -0.004 0.000 0.943 5350 N CB 0.605 39.087 38.487 -0.008 0.000 1.115 5350 N HN 0.894 nan 8.380 nan 0.000 0.481 5351 A N 2.466 125.284 122.820 -0.002 0.000 3.570 5351 A HA -0.015 4.297 4.320 -0.013 0.000 0.194 5351 A C -0.560 177.022 177.584 -0.003 0.000 1.297 5351 A CA 0.295 52.329 52.037 -0.006 0.000 1.173 5351 A CB -1.460 17.531 19.000 -0.014 0.000 0.813 5351 A HN 0.564 nan 8.150 nan 0.000 0.391 5352 L N 0.000 121.217 121.223 -0.009 0.000 2.949 5352 L HA 0.000 4.332 4.340 -0.013 0.000 0.249 5352 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 5352 L CB 0.000 42.036 42.059 -0.039 0.000 0.961 5352 L HN 0.000 nan 8.230 nan 0.000 0.502