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 2hpc_1_L DATA FIRST_RESID 92 DATA SEQUENCE EIMKYEASIL THDSSIRYLQ EIYNSNNQKI VNLKEKVAQL EAQCQEPCKD DATA SEQUENCE TVQIHDITGK DcQDIANKGA KQSGLYFIKP LKANQQFLVY cEIDGSGNGW DATA SEQUENCE TVFQKRLDGS VDFKKNWIQY KEGFGHLSPT GTTEFWLGNE KIHLISTQSA DATA SEQUENCE IPYALRVELE DWNGRTSTAD YAMFKVGPEA DKYRLTYAYF AGGDAGDAFD DATA SEQUENCE GFDFGDDPSD KFFTSHNGMQ FSTWDNDNDK FEGNcAEQDG SGWWMNKcHA DATA SEQUENCE GHLNGVYYQG GTYSKASTPN GYDNGIIWAT WKTRWYSMKK TTMKIIPFNR 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 92 E HA 0.000 nan 4.350 nan 0.000 0.291 92 E C 0.000 176.617 176.600 0.029 0.000 1.382 92 E CA 0.000 56.420 56.400 0.033 0.000 0.976 92 E CB 0.000 29.712 29.700 0.021 0.000 0.812 93 I N 1.865 122.440 120.570 0.008 0.000 2.181 93 I HA -0.236 3.934 4.170 -0.000 0.000 0.247 93 I C 1.338 177.437 176.117 -0.030 0.000 1.081 93 I CA 1.183 62.474 61.300 -0.014 0.000 1.340 93 I CB -0.202 37.781 38.000 -0.028 0.000 1.036 93 I HN 0.431 nan 8.210 nan 0.000 0.417 94 M N 1.973 121.563 119.600 -0.016 0.000 3.447 94 M HA -0.037 4.443 4.480 -0.000 0.000 0.217 94 M C 0.538 176.946 176.300 0.180 0.000 1.597 94 M CA 0.761 56.037 55.300 -0.040 0.000 1.695 94 M CB -1.008 31.653 32.600 0.102 0.000 1.196 94 M HN 0.125 nan 8.290 nan 0.000 0.538 95 K N 1.446 121.907 120.400 0.101 0.000 3.045 95 K HA 0.171 4.491 4.320 -0.000 0.000 0.214 95 K C 0.361 177.090 176.600 0.215 0.000 1.213 95 K CA -0.239 56.150 56.287 0.169 0.000 1.111 95 K CB 0.028 32.569 32.500 0.069 0.000 1.454 95 K HN 0.468 nan 8.250 nan 0.000 0.498 96 Y N -0.465 119.821 120.300 -0.024 0.000 2.569 96 Y HA -0.163 4.387 4.550 0.000 0.000 0.293 96 Y C 1.403 177.277 175.900 -0.043 0.000 1.144 96 Y CA -0.117 57.965 58.100 -0.031 0.000 1.321 96 Y CB -0.111 38.330 38.460 -0.032 0.000 0.982 96 Y HN 0.438 nan 8.280 nan 0.000 0.558 97 E N 1.489 121.769 120.200 0.134 0.000 2.017 97 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 97 E C 2.545 179.151 176.600 0.010 0.000 0.997 97 E CA 0.987 57.401 56.400 0.023 0.000 0.804 97 E CB -0.249 29.455 29.700 0.007 0.000 0.757 97 E HN 0.492 nan 8.360 nan 0.000 0.448 98 A N 1.078 123.914 122.820 0.026 0.000 1.986 98 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 98 A C 2.272 179.858 177.584 0.004 0.000 1.171 98 A CA 1.901 53.945 52.037 0.012 0.000 0.640 98 A CB -0.473 18.536 19.000 0.016 0.000 0.811 98 A HN 0.168 nan 8.150 nan 0.000 0.451 99 S N -0.250 115.460 115.700 0.016 0.000 2.453 99 S HA 0.062 4.532 4.470 -0.000 0.000 0.231 99 S C 1.025 175.610 174.600 -0.025 0.000 1.005 99 S CA 0.539 58.743 58.200 0.008 0.000 0.949 99 S CB -0.369 62.852 63.200 0.034 0.000 0.774 99 S HN 0.567 nan 8.310 nan 0.000 0.510 100 I N 2.549 123.086 120.570 -0.056 0.000 3.205 100 I HA 0.032 4.202 4.170 -0.000 0.000 0.283 100 I C 0.184 176.176 176.117 -0.208 0.000 1.157 100 I CA 0.271 61.468 61.300 -0.171 0.000 1.675 100 I CB -0.414 37.455 38.000 -0.219 0.000 1.241 100 I HN 0.173 nan 8.210 nan 0.000 0.669 101 L N 1.673 122.837 121.223 -0.099 0.000 2.984 101 L HA 0.085 4.425 4.340 -0.000 0.000 0.246 101 L C 2.159 179.025 176.870 -0.007 0.000 1.268 101 L CA 0.515 55.332 54.840 -0.038 0.000 1.054 101 L CB -0.327 41.730 42.059 -0.004 0.000 1.393 101 L HN 0.427 nan 8.230 nan 0.000 0.532 102 T N -3.797 110.728 114.554 -0.049 0.000 2.857 102 T HA -0.176 4.173 4.350 -0.000 0.000 0.266 102 T C 1.674 176.444 174.700 0.116 0.000 1.048 102 T CA 1.097 63.206 62.100 0.015 0.000 1.139 102 T CB -0.308 68.556 68.868 -0.006 0.000 0.874 102 T HN 0.501 nan 8.240 nan 0.000 0.455 103 H N 0.828 119.902 119.070 0.006 0.000 2.353 103 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 103 H C 2.316 177.654 175.328 0.017 0.000 1.103 103 H CA 1.362 57.414 56.048 0.007 0.000 1.293 103 H CB -0.269 29.496 29.762 0.004 0.000 1.372 103 H HN 0.569 nan 8.280 nan 0.000 0.501 104 D N 0.092 120.581 120.400 0.149 0.000 2.203 104 D HA -0.190 4.449 4.640 -0.000 0.000 0.199 104 D C 2.315 178.665 176.300 0.083 0.000 0.997 104 D CA 1.730 55.784 54.000 0.090 0.000 0.863 104 D CB -0.089 40.747 40.800 0.059 0.000 0.928 104 D HN 0.169 nan 8.370 nan 0.000 0.458 105 S N -1.598 114.157 115.700 0.090 0.000 2.355 105 S HA -0.011 4.459 4.470 -0.000 0.000 0.216 105 S C 2.076 176.745 174.600 0.116 0.000 1.037 105 S CA 0.892 59.147 58.200 0.092 0.000 0.955 105 S CB -0.597 62.650 63.200 0.078 0.000 0.877 105 S HN 0.260 nan 8.310 nan 0.000 0.488 106 S N 1.788 117.547 115.700 0.100 0.000 2.389 106 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 106 S C 1.740 176.404 174.600 0.108 0.000 1.052 106 S CA 1.504 59.746 58.200 0.071 0.000 1.053 106 S CB -0.588 62.627 63.200 0.026 0.000 0.886 106 S HN 0.560 nan 8.310 nan 0.000 0.456 107 I N 2.452 123.067 120.570 0.076 0.000 2.226 107 I HA -0.181 3.988 4.170 -0.000 0.000 0.245 107 I C 2.221 178.390 176.117 0.085 0.000 1.100 107 I CA 1.652 62.986 61.300 0.057 0.000 1.374 107 I CB -0.615 37.406 38.000 0.034 0.000 1.057 107 I HN 0.405 nan 8.210 nan 0.000 0.413 108 R N -0.536 120.023 120.500 0.098 0.000 2.299 108 R HA -0.162 4.177 4.340 -0.000 0.000 0.197 108 R C 2.152 178.520 176.300 0.114 0.000 0.971 108 R CA 0.641 56.793 56.100 0.087 0.000 1.030 108 R CB -1.016 29.325 30.300 0.068 0.000 0.932 108 R HN 0.418 nan 8.270 nan 0.000 0.477 109 Y N 1.488 121.803 120.300 0.024 0.000 2.395 109 Y HA 0.090 4.640 4.550 -0.001 0.000 0.293 109 Y C 1.507 177.425 175.900 0.030 0.000 1.123 109 Y CA 0.920 59.035 58.100 0.026 0.000 1.227 109 Y CB 0.144 38.617 38.460 0.023 0.000 1.012 109 Y HN -0.019 nan 8.280 nan 0.000 0.552 110 L N -0.258 121.065 121.223 0.168 0.000 2.127 110 L HA -0.098 4.242 4.340 -0.000 0.000 0.203 110 L C 2.423 179.317 176.870 0.039 0.000 1.080 110 L CA 1.184 56.076 54.840 0.086 0.000 0.768 110 L CB -0.773 41.370 42.059 0.139 0.000 0.924 110 L HN 0.137 nan 8.230 nan 0.000 0.444 111 Q N 0.889 120.719 119.800 0.050 0.000 2.308 111 Q HA -0.230 4.110 4.340 -0.000 0.000 0.209 111 Q C 1.855 177.892 176.000 0.061 0.000 0.985 111 Q CA 1.652 57.494 55.803 0.065 0.000 0.881 111 Q CB -0.027 28.737 28.738 0.043 0.000 0.917 111 Q HN 0.489 nan 8.270 nan 0.000 0.443 112 E N -0.556 119.632 120.200 -0.020 0.000 2.016 112 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 112 E C 2.028 178.578 176.600 -0.083 0.000 0.985 112 E CA 1.151 57.510 56.400 -0.068 0.000 0.802 112 E CB -0.188 29.425 29.700 -0.144 0.000 0.762 112 E HN 0.387 nan 8.360 nan 0.000 0.448 113 I N 0.854 121.334 120.570 -0.149 0.000 2.069 113 I HA -0.360 3.810 4.170 -0.000 0.000 0.237 113 I C 2.560 178.659 176.117 -0.031 0.000 1.053 113 I CA 1.618 62.848 61.300 -0.116 0.000 1.311 113 I CB -0.601 37.321 38.000 -0.131 0.000 1.030 113 I HN 0.183 nan 8.210 nan 0.000 0.398 114 Y N 2.350 122.611 120.300 -0.065 0.000 2.029 114 Y HA -0.419 4.131 4.550 -0.000 0.000 0.269 114 Y C 2.272 178.150 175.900 -0.036 0.000 1.201 114 Y CA 2.322 60.400 58.100 -0.037 0.000 1.115 114 Y CB -1.027 37.417 38.460 -0.026 0.000 0.945 114 Y HN 0.260 nan 8.280 nan 0.000 0.497 115 N N -0.810 117.792 118.700 -0.163 0.000 2.043 115 N HA -0.263 4.477 4.740 -0.000 0.000 0.193 115 N C 2.109 177.493 175.510 -0.210 0.000 1.037 115 N CA 1.297 54.208 53.050 -0.231 0.000 0.851 115 N CB -0.538 37.918 38.487 -0.050 0.000 1.027 115 N HN 0.373 nan 8.380 nan 0.000 0.422 116 S N 1.345 116.964 115.700 -0.134 0.000 2.380 116 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 116 S C 1.636 176.159 174.600 -0.128 0.000 1.050 116 S CA 1.837 59.970 58.200 -0.112 0.000 1.100 116 S CB -0.448 62.695 63.200 -0.096 0.000 0.984 116 S HN 0.277 nan 8.310 nan 0.000 0.434 117 N N 1.669 120.281 118.700 -0.145 0.000 2.104 117 N HA -0.064 4.675 4.740 -0.000 0.000 0.190 117 N C 1.553 176.956 175.510 -0.178 0.000 1.024 117 N CA 1.514 54.482 53.050 -0.137 0.000 0.853 117 N CB -0.689 37.727 38.487 -0.118 0.000 1.008 117 N HN 0.407 nan 8.380 nan 0.000 0.424 118 N N 0.192 118.717 118.700 -0.291 0.000 2.084 118 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 118 N C 1.640 177.055 175.510 -0.157 0.000 1.030 118 N CA 0.856 53.744 53.050 -0.269 0.000 0.849 118 N CB -0.307 37.939 38.487 -0.402 0.000 1.012 118 N HN 0.210 nan 8.380 nan 0.000 0.423 119 Q N 1.026 120.744 119.800 -0.138 0.000 2.050 119 Q HA -0.004 4.336 4.340 -0.000 0.000 0.202 119 Q C 1.567 177.524 176.000 -0.072 0.000 0.980 119 Q CA 1.620 57.370 55.803 -0.089 0.000 0.840 119 Q CB -0.017 28.675 28.738 -0.075 0.000 0.898 119 Q HN 0.276 nan 8.270 nan 0.000 0.424 120 K N -0.349 120.006 120.400 -0.075 0.000 2.097 120 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 120 K C 1.961 178.530 176.600 -0.052 0.000 1.049 120 K CA 1.376 57.629 56.287 -0.057 0.000 0.933 120 K CB -0.160 32.307 32.500 -0.055 0.000 0.717 120 K HN 0.306 nan 8.250 nan 0.000 0.442 121 I N 0.528 121.059 120.570 -0.064 0.000 2.546 121 I HA -0.206 3.964 4.170 -0.000 0.000 0.255 121 I C 2.073 178.163 176.117 -0.045 0.000 1.163 121 I CA 0.592 61.860 61.300 -0.053 0.000 1.457 121 I CB -0.125 37.837 38.000 -0.063 0.000 1.092 121 I HN -0.092 nan 8.210 nan 0.000 0.434 122 V N 1.369 121.252 119.914 -0.051 0.000 2.295 122 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 122 V C 2.131 178.206 176.094 -0.031 0.000 1.049 122 V CA 1.920 64.196 62.300 -0.040 0.000 1.024 122 V CB -0.738 31.060 31.823 -0.043 0.000 0.648 122 V HN 0.489 nan 8.190 nan 0.000 0.447 123 N N -0.129 118.552 118.700 -0.032 0.000 2.270 123 N HA -0.044 4.696 4.740 -0.000 0.000 0.181 123 N C 1.875 177.371 175.510 -0.022 0.000 1.016 123 N CA 0.976 54.011 53.050 -0.025 0.000 0.870 123 N CB -0.176 38.296 38.487 -0.026 0.000 0.979 123 N HN 0.379 nan 8.380 nan 0.000 0.431 124 L N 1.652 122.861 121.223 -0.024 0.000 1.989 124 L HA -0.180 4.159 4.340 -0.000 0.000 0.211 124 L C 2.271 179.131 176.870 -0.017 0.000 1.071 124 L CA 1.439 56.268 54.840 -0.020 0.000 0.749 124 L CB -0.169 41.878 42.059 -0.021 0.000 0.890 124 L HN 0.126 nan 8.230 nan 0.000 0.431 125 K N -0.511 119.878 120.400 -0.019 0.000 2.063 125 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 125 K C 1.940 178.532 176.600 -0.014 0.000 1.048 125 K CA 1.637 57.914 56.287 -0.016 0.000 0.928 125 K CB -0.182 32.308 32.500 -0.017 0.000 0.713 125 K HN 0.344 nan 8.250 nan 0.000 0.442 126 E N 0.996 121.187 120.200 -0.016 0.000 2.268 126 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 126 E C 1.949 178.542 176.600 -0.013 0.000 0.995 126 E CA 0.939 57.330 56.400 -0.014 0.000 0.836 126 E CB 0.253 29.944 29.700 -0.015 0.000 0.763 126 E HN 0.171 nan 8.360 nan 0.000 0.491 127 K N -0.213 120.179 120.400 -0.013 0.000 2.078 127 K HA -0.017 4.302 4.320 -0.000 0.000 0.203 127 K C 1.936 178.530 176.600 -0.011 0.000 1.043 127 K CA 0.670 56.950 56.287 -0.012 0.000 0.960 127 K CB 0.178 32.670 32.500 -0.012 0.000 0.761 127 K HN -0.039 nan 8.250 nan 0.000 0.448 128 V N 1.871 121.778 119.914 -0.011 0.000 2.660 128 V HA -0.236 3.884 4.120 -0.000 0.000 0.257 128 V C 2.223 178.311 176.094 -0.009 0.000 1.088 128 V CA 1.927 64.222 62.300 -0.009 0.000 1.106 128 V CB -0.599 31.218 31.823 -0.010 0.000 0.686 128 V HN 0.468 nan 8.190 nan 0.000 0.481 129 A N -1.112 121.703 122.820 -0.009 0.000 2.119 129 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 129 A C 2.177 179.756 177.584 -0.008 0.000 1.152 129 A CA 1.405 53.437 52.037 -0.009 0.000 0.708 129 A CB -0.247 18.748 19.000 -0.009 0.000 0.805 129 A HN 0.591 nan 8.150 nan 0.000 0.460 130 Q N -0.940 118.855 119.800 -0.009 0.000 2.062 130 Q HA -0.056 4.284 4.340 -0.000 0.000 0.196 130 Q C 1.909 177.905 176.000 -0.008 0.000 0.967 130 Q CA 1.101 56.899 55.803 -0.008 0.000 0.832 130 Q CB -0.226 28.507 28.738 -0.009 0.000 0.899 130 Q HN 0.469 nan 8.270 nan 0.000 0.442 131 L N 1.656 122.874 121.223 -0.008 0.000 1.951 131 L HA -0.292 4.048 4.340 -0.000 0.000 0.222 131 L C 2.159 179.025 176.870 -0.007 0.000 1.078 131 L CA 2.608 57.444 54.840 -0.007 0.000 0.778 131 L CB -0.956 41.099 42.059 -0.007 0.000 0.893 131 L HN 0.426 nan 8.230 nan 0.000 0.436 132 E N -1.023 119.173 120.200 -0.007 0.000 2.217 132 E HA -0.385 3.965 4.350 -0.000 0.000 0.219 132 E C 1.925 178.521 176.600 -0.007 0.000 1.070 132 E CA 1.934 58.330 56.400 -0.007 0.000 0.889 132 E CB -0.365 29.331 29.700 -0.007 0.000 0.768 132 E HN 0.650 nan 8.360 nan 0.000 0.465 133 A N 0.059 122.875 122.820 -0.007 0.000 2.070 133 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 133 A C 1.822 179.401 177.584 -0.008 0.000 1.159 133 A CA 1.294 53.326 52.037 -0.008 0.000 0.656 133 A CB -0.106 18.889 19.000 -0.008 0.000 0.800 133 A HN 0.305 nan 8.150 nan 0.000 0.453 134 Q N -1.720 118.075 119.800 -0.008 0.000 2.246 134 Q HA 0.136 4.475 4.340 -0.000 0.000 0.202 134 Q C 0.294 176.289 176.000 -0.008 0.000 0.883 134 Q CA 0.167 55.965 55.803 -0.008 0.000 0.952 134 Q CB 0.260 28.993 28.738 -0.007 0.000 1.078 134 Q HN 0.651 nan 8.270 nan 0.000 0.493 135 C N 0.621 119.916 119.300 -0.008 0.000 3.240 135 C HA 0.217 4.676 4.460 -0.000 0.000 0.271 135 C C 1.708 176.694 174.990 -0.008 0.000 1.534 135 C CA -0.410 58.603 59.018 -0.007 0.000 1.796 135 C CB 0.291 28.027 27.740 -0.007 0.000 2.892 135 C HN 0.347 nan 8.230 nan 0.000 0.566 136 Q N 0.951 120.746 119.800 -0.008 0.000 2.269 136 Q HA 0.114 4.454 4.340 -0.000 0.000 0.201 136 Q C 0.803 176.798 176.000 -0.010 0.000 0.946 136 Q CA 0.918 56.715 55.803 -0.009 0.000 0.877 136 Q CB 0.062 28.794 28.738 -0.009 0.000 0.963 136 Q HN 0.615 nan 8.270 nan 0.000 0.472 137 E N 1.960 122.154 120.200 -0.010 0.000 2.392 137 E HA 0.183 4.533 4.350 -0.000 0.000 0.259 137 E C -1.686 174.907 176.600 -0.011 0.000 1.108 137 E CA -1.277 55.116 56.400 -0.012 0.000 0.916 137 E CB 0.040 29.733 29.700 -0.012 0.000 0.989 137 E HN 0.139 nan 8.360 nan 0.000 0.432 138 P HA 0.329 nan 4.420 nan 0.000 0.314 138 P C -0.482 176.811 177.300 -0.013 0.000 1.306 138 P CA -0.573 62.519 63.100 -0.012 0.000 0.782 138 P CB 0.726 32.418 31.700 -0.013 0.000 1.337 139 C N -0.117 119.176 119.300 -0.013 0.000 2.605 139 C HA 0.270 4.730 4.460 -0.000 0.000 0.404 139 C C 0.913 175.893 174.990 -0.016 0.000 1.284 139 C CA -0.057 58.953 59.018 -0.013 0.000 2.199 139 C CB -0.886 26.847 27.740 -0.012 0.000 2.647 139 C HN 0.453 nan 8.230 nan 0.000 0.604 140 K N 2.525 122.915 120.400 -0.016 0.000 2.315 140 K HA 0.086 4.406 4.320 -0.000 0.000 0.291 140 K C 0.074 176.662 176.600 -0.021 0.000 1.074 140 K CA 0.288 56.563 56.287 -0.020 0.000 0.936 140 K CB -0.157 32.332 32.500 -0.019 0.000 1.049 140 K HN 0.610 nan 8.250 nan 0.000 0.471 141 D N 2.296 122.681 120.400 -0.025 0.000 2.455 141 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 141 D C 0.610 176.893 176.300 -0.029 0.000 1.138 141 D CA 0.366 54.350 54.000 -0.026 0.000 0.877 141 D CB 1.210 41.993 40.800 -0.028 0.000 1.187 141 D HN 0.720 nan 8.370 nan 0.000 0.451 142 T N -0.821 113.718 114.554 -0.025 0.000 3.067 142 T HA 0.008 4.357 4.350 -0.000 0.000 0.257 142 T C 1.056 175.739 174.700 -0.028 0.000 1.105 142 T CA -0.024 62.062 62.100 -0.023 0.000 1.104 142 T CB -0.164 68.695 68.868 -0.014 0.000 0.925 142 T HN 0.209 nan 8.240 nan 0.000 0.498 143 V N 0.980 120.876 119.914 -0.030 0.000 2.299 143 V HA 0.454 4.574 4.120 -0.000 0.000 0.255 143 V C -0.404 175.663 176.094 -0.046 0.000 1.100 143 V CA -1.088 61.194 62.300 -0.031 0.000 0.938 143 V CB -0.051 31.754 31.823 -0.030 0.000 1.139 143 V HN 0.201 nan 8.190 nan 0.000 0.490 144 Q N 4.119 123.872 119.800 -0.078 0.000 2.261 144 Q HA 0.571 4.910 4.340 -0.000 0.000 0.252 144 Q C -0.486 175.426 176.000 -0.147 0.000 0.915 144 Q CA -0.315 55.409 55.803 -0.132 0.000 0.915 144 Q CB 2.905 31.512 28.738 -0.219 0.000 1.204 144 Q HN 0.792 nan 8.270 nan 0.000 0.421 145 I N 3.314 123.825 120.570 -0.098 0.000 2.307 145 I HA 0.116 4.286 4.170 -0.000 0.000 0.289 145 I C -0.120 175.938 176.117 -0.099 0.000 1.021 145 I CA -0.710 60.577 61.300 -0.022 0.000 1.224 145 I CB 0.537 38.645 38.000 0.180 0.000 1.376 145 I HN 0.469 nan 8.210 nan 0.000 0.470 146 H N 4.185 123.100 119.070 -0.259 0.000 2.948 146 H HA -0.058 4.498 4.556 -0.000 0.000 0.351 146 H C 0.497 175.782 175.328 -0.072 0.000 1.079 146 H CA 0.475 56.383 56.048 -0.233 0.000 1.407 146 H CB 0.510 29.979 29.762 -0.488 0.000 1.373 146 H HN 0.515 nan 8.280 nan 0.000 0.605 147 D N 1.265 121.708 120.400 0.072 0.000 2.178 147 D HA -0.031 4.608 4.640 -0.000 0.000 0.202 147 D C 0.073 176.431 176.300 0.095 0.000 0.974 147 D CA 0.730 54.757 54.000 0.044 0.000 0.841 147 D CB -0.023 40.785 40.800 0.013 0.000 0.953 147 D HN 0.365 nan 8.370 nan 0.000 0.478 148 I N 0.422 121.102 120.570 0.183 0.000 2.634 148 I HA 0.128 4.298 4.170 -0.000 0.000 0.284 148 I C 1.410 177.660 176.117 0.222 0.000 1.124 148 I CA -0.057 61.351 61.300 0.179 0.000 1.417 148 I CB 0.794 38.908 38.000 0.191 0.000 1.396 148 I HN -0.067 nan 8.210 nan 0.000 0.571 149 T N 1.430 116.050 114.554 0.110 0.000 2.766 149 T HA 0.983 5.333 4.350 -0.000 0.000 0.245 149 T C 0.246 174.952 174.700 0.010 0.000 1.045 149 T CA -0.162 61.991 62.100 0.087 0.000 1.038 149 T CB 1.070 69.968 68.868 0.050 0.000 2.089 149 T HN 1.213 nan 8.240 nan 0.000 0.546 150 G N -0.424 108.367 108.800 -0.014 0.000 2.362 150 G HA2 0.217 4.177 3.960 -0.000 0.000 0.288 150 G HA3 0.217 4.177 3.960 -0.000 0.000 0.288 150 G C -0.241 174.630 174.900 -0.049 0.000 1.305 150 G CA -0.109 44.966 45.100 -0.042 0.000 0.910 150 G HN 0.667 nan 8.290 nan 0.000 0.518 151 K N -0.095 120.280 120.400 -0.041 0.000 2.211 151 K HA 0.212 4.532 4.320 -0.000 0.000 0.201 151 K C 0.446 177.039 176.600 -0.012 0.000 1.052 151 K CA 1.440 57.713 56.287 -0.023 0.000 0.973 151 K CB 0.155 32.656 32.500 0.001 0.000 0.766 151 K HN 0.725 nan 8.250 nan 0.000 0.466 152 D N -2.638 117.754 120.400 -0.013 0.000 2.738 152 D HA 0.002 4.642 4.640 -0.000 0.000 0.308 152 D C 0.567 176.837 176.300 -0.049 0.000 1.311 152 D CA -0.652 53.350 54.000 0.004 0.000 0.799 152 D CB 0.237 41.108 40.800 0.118 0.000 1.332 152 D HN -0.153 nan 8.370 nan 0.000 0.441 153 c N -0.391 118.178 118.600 -0.051 0.000 2.401 153 c HA -0.152 4.418 4.570 -0.000 0.000 0.276 153 c C 2.471 176.456 174.090 -0.175 0.000 1.233 153 c CA 1.715 57.959 56.329 -0.142 0.000 1.753 153 c CB -1.176 41.283 42.510 -0.085 0.000 2.029 153 c HN 0.672 nan 8.230 nan 0.000 0.478 154 Q N 1.364 121.086 119.800 -0.130 0.000 2.119 154 Q HA -0.139 4.201 4.340 -0.000 0.000 0.201 154 Q C 1.428 177.340 176.000 -0.146 0.000 0.972 154 Q CA 1.836 57.538 55.803 -0.168 0.000 0.847 154 Q CB -0.639 27.988 28.738 -0.185 0.000 0.903 154 Q HN 0.687 nan 8.270 nan 0.000 0.433 155 D N -1.176 119.158 120.400 -0.111 0.000 2.368 155 D HA -0.029 4.611 4.640 -0.000 0.000 0.250 155 D C 0.877 177.110 176.300 -0.112 0.000 1.142 155 D CA 0.511 54.453 54.000 -0.096 0.000 0.925 155 D CB -0.017 40.744 40.800 -0.065 0.000 0.896 155 D HN 0.445 nan 8.370 nan 0.000 0.525 156 I N -1.003 119.471 120.570 -0.159 0.000 3.570 156 I HA 0.153 4.323 4.170 -0.000 0.000 0.270 156 I C 2.215 178.220 176.117 -0.185 0.000 1.162 156 I CA 0.315 61.496 61.300 -0.198 0.000 1.413 156 I CB -0.263 37.522 38.000 -0.359 0.000 1.437 156 I HN -0.012 nan 8.210 nan 0.000 0.457 157 A N 0.998 123.697 122.820 -0.201 0.000 1.978 157 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 157 A C 1.055 178.570 177.584 -0.115 0.000 1.170 157 A CA 1.616 53.559 52.037 -0.157 0.000 0.636 157 A CB -0.559 18.345 19.000 -0.159 0.000 0.810 157 A HN 0.419 nan 8.150 nan 0.000 0.448 158 N N -0.500 118.130 118.700 -0.116 0.000 2.920 158 N HA 0.268 5.008 4.740 -0.000 0.000 0.310 158 N C 0.045 175.509 175.510 -0.078 0.000 1.384 158 N CA 0.228 53.223 53.050 -0.092 0.000 1.083 158 N CB 0.506 38.934 38.487 -0.099 0.000 1.389 158 N HN 0.621 nan 8.380 nan 0.000 0.521 159 K N -0.636 119.722 120.400 -0.069 0.000 2.829 159 K HA 0.166 4.486 4.320 -0.000 0.000 0.136 159 K C 0.208 176.785 176.600 -0.039 0.000 1.130 159 K CA 0.262 56.518 56.287 -0.052 0.000 1.121 159 K CB -0.377 32.089 32.500 -0.057 0.000 0.891 159 K HN 0.324 nan 8.250 nan 0.000 0.398 160 G N 0.953 109.728 108.800 -0.041 0.000 2.451 160 G HA2 0.254 4.213 3.960 -0.000 0.000 0.208 160 G HA3 0.254 4.213 3.960 -0.000 0.000 0.208 160 G C -0.509 174.371 174.900 -0.034 0.000 1.248 160 G CA -0.244 44.841 45.100 -0.024 0.000 0.989 160 G HN 1.310 nan 8.290 nan 0.000 0.559 161 A N -1.591 121.227 122.820 -0.002 0.000 2.379 161 A HA 0.383 4.703 4.320 -0.000 0.000 0.665 161 A C 0.656 178.218 177.584 -0.037 0.000 0.178 161 A CA 1.874 53.909 52.037 -0.003 0.000 0.125 161 A CB -1.012 17.950 19.000 -0.063 0.000 3.856 161 A HN 2.632 nan 8.150 nan 0.000 0.531 162 K N 1.100 121.495 120.400 -0.008 0.000 2.558 162 K HA 0.220 4.540 4.320 -0.000 0.000 0.215 162 K C 0.456 177.055 176.600 -0.002 0.000 1.298 162 K CA 1.117 57.396 56.287 -0.014 0.000 1.008 162 K CB 0.432 32.932 32.500 0.000 0.000 1.073 162 K HN 0.782 nan 8.250 nan 0.000 0.606 163 Q N 1.305 121.108 119.800 0.005 0.000 2.256 163 Q HA 0.351 4.691 4.340 -0.000 0.000 0.254 163 Q C -0.785 175.203 176.000 -0.019 0.000 0.916 163 Q CA -0.508 55.300 55.803 0.008 0.000 0.932 163 Q CB 1.643 30.418 28.738 0.061 0.000 1.207 163 Q HN 0.185 nan 8.270 nan 0.000 0.426 164 S N 0.987 116.690 115.700 0.004 0.000 2.572 164 S HA 0.651 5.121 4.470 -0.000 0.000 0.279 164 S C 0.344 174.926 174.600 -0.029 0.000 1.341 164 S CA -0.015 58.162 58.200 -0.037 0.000 1.043 164 S CB 1.107 64.315 63.200 0.013 0.000 0.887 164 S HN 0.897 nan 8.310 nan 0.000 0.516 165 G N 0.518 109.216 108.800 -0.169 0.000 2.368 165 G HA2 0.281 4.241 3.960 -0.000 0.000 0.269 165 G HA3 0.281 4.241 3.960 -0.000 0.000 0.269 165 G C -1.924 172.968 174.900 -0.013 0.000 1.291 165 G CA -1.115 43.969 45.100 -0.025 0.000 0.903 165 G HN 0.627 nan 8.290 nan 0.000 0.483 166 L N 0.392 121.637 121.223 0.037 0.000 2.307 166 L HA 0.757 5.097 4.340 -0.000 0.000 0.282 166 L C -0.801 176.013 176.870 -0.093 0.000 1.051 166 L CA -0.702 54.179 54.840 0.069 0.000 0.804 166 L CB 1.261 43.352 42.059 0.052 0.000 1.197 166 L HN 0.558 nan 8.230 nan 0.000 0.431 167 Y N 1.073 121.401 120.300 0.047 0.000 2.615 167 Y HA 0.506 5.056 4.550 -0.000 0.000 0.341 167 Y C -0.502 175.424 175.900 0.044 0.000 1.089 167 Y CA -0.805 57.358 58.100 0.105 0.000 1.049 167 Y CB 1.715 40.199 38.460 0.041 0.000 1.296 167 Y HN 0.229 nan 8.280 nan 0.000 0.470 168 F N 2.277 122.319 119.950 0.154 0.000 2.440 168 F HA 0.756 5.283 4.527 -0.000 0.000 0.328 168 F C 0.063 175.835 175.800 -0.047 0.000 1.070 168 F CA -0.722 57.296 58.000 0.030 0.000 1.011 168 F CB 1.419 40.423 39.000 0.006 0.000 1.226 168 F HN 0.294 nan 8.300 nan 0.000 0.491 169 I N -0.616 119.903 120.570 -0.084 0.000 2.984 169 I HA 0.493 4.663 4.170 -0.000 0.000 0.303 169 I C -1.634 174.236 176.117 -0.410 0.000 1.381 169 I CA -1.045 60.129 61.300 -0.210 0.000 0.988 169 I CB 2.492 40.350 38.000 -0.236 0.000 1.307 169 I HN 0.531 nan 8.210 nan 0.000 0.460 170 K N 4.115 124.361 120.400 -0.257 0.000 2.814 170 K HA 0.514 4.834 4.320 -0.000 0.000 0.205 170 K C -2.724 173.805 176.600 -0.119 0.000 1.093 170 K CA -1.374 54.786 56.287 -0.212 0.000 1.035 170 K CB 1.124 33.569 32.500 -0.090 0.000 1.220 170 K HN 0.399 nan 8.250 nan 0.000 0.576 171 P HA -0.169 nan 4.420 nan 0.000 0.268 171 P C 0.878 178.178 177.300 -0.001 0.000 1.171 171 P CA 0.343 63.433 63.100 -0.017 0.000 0.761 171 P CB 0.583 32.310 31.700 0.045 0.000 0.786 172 L N 1.787 123.015 121.223 0.009 0.000 2.171 172 L HA -0.256 4.084 4.340 -0.000 0.000 0.216 172 L C 1.743 178.619 176.870 0.010 0.000 1.084 172 L CA 1.792 56.636 54.840 0.007 0.000 0.771 172 L CB -0.472 41.594 42.059 0.011 0.000 0.890 172 L HN 0.540 nan 8.230 nan 0.000 0.437 173 K N -1.880 118.530 120.400 0.016 0.000 2.592 173 K HA 0.414 4.734 4.320 -0.000 0.000 0.203 173 K C 0.163 176.792 176.600 0.047 0.000 1.070 173 K CA -0.054 56.248 56.287 0.024 0.000 1.062 173 K CB 0.645 33.154 32.500 0.015 0.000 0.814 173 K HN 0.029 nan 8.250 nan 0.000 0.502 174 A N 1.377 124.232 122.820 0.059 0.000 2.259 174 A HA 0.371 4.691 4.320 -0.000 0.000 0.278 174 A C -0.013 177.621 177.584 0.084 0.000 1.107 174 A CA -0.397 51.700 52.037 0.100 0.000 0.828 174 A CB 0.372 19.460 19.000 0.147 0.000 1.111 174 A HN 0.254 nan 8.150 nan 0.000 0.498 175 N N -0.655 118.109 118.700 0.107 0.000 1.971 175 N HA 0.215 4.955 4.740 -0.000 0.000 0.231 175 N C 0.022 175.583 175.510 0.084 0.000 1.062 175 N CA 0.705 53.807 53.050 0.086 0.000 1.093 175 N CB -0.554 37.988 38.487 0.092 0.000 1.429 175 N HN 0.765 nan 8.380 nan 0.000 0.556 176 Q N 0.997 120.860 119.800 0.105 0.000 2.382 176 Q HA 0.201 4.541 4.340 -0.000 0.000 0.229 176 Q C 0.021 176.098 176.000 0.127 0.000 1.006 176 Q CA -0.590 55.276 55.803 0.105 0.000 0.916 176 Q CB 0.198 29.004 28.738 0.115 0.000 1.235 176 Q HN 0.325 nan 8.270 nan 0.000 0.512 177 Q N 0.569 120.430 119.800 0.103 0.000 2.397 177 Q HA 0.465 4.805 4.340 -0.000 0.000 0.193 177 Q C -0.715 175.373 176.000 0.146 0.000 1.083 177 Q CA -0.445 55.371 55.803 0.021 0.000 1.108 177 Q CB 0.447 29.240 28.738 0.090 0.000 1.172 177 Q HN 0.744 nan 8.270 nan 0.000 0.617 178 F N -2.902 117.112 119.950 0.107 0.000 2.672 178 F HA 0.460 4.987 4.527 -0.000 0.000 0.311 178 F C -1.646 173.970 175.800 -0.306 0.000 1.113 178 F CA -1.582 56.370 58.000 -0.081 0.000 0.996 178 F CB 0.757 39.728 39.000 -0.049 0.000 1.286 178 F HN 0.432 nan 8.300 nan 0.000 0.441 179 L N 4.650 125.650 121.223 -0.371 0.000 2.416 179 L HA 0.728 5.068 4.340 -0.000 0.000 0.272 179 L C -0.436 176.417 176.870 -0.029 0.000 1.161 179 L CA -0.054 54.489 54.840 -0.495 0.000 0.845 179 L CB 1.147 42.803 42.059 -0.672 0.000 1.119 179 L HN 0.900 nan 8.230 nan 0.000 0.464 180 V N 2.772 122.711 119.914 0.042 0.000 3.147 180 V HA 0.464 4.583 4.120 -0.000 0.000 0.306 180 V C -1.400 174.819 176.094 0.208 0.000 1.209 180 V CA -1.023 61.380 62.300 0.171 0.000 1.023 180 V CB 1.400 33.385 31.823 0.271 0.000 1.059 180 V HN 0.720 nan 8.190 nan 0.000 0.435 181 Y N 2.162 122.537 120.300 0.126 0.000 2.336 181 Y HA 0.669 5.219 4.550 -0.000 0.000 0.335 181 Y C 0.004 176.027 175.900 0.205 0.000 1.046 181 Y CA -0.467 57.721 58.100 0.146 0.000 1.198 181 Y CB 0.812 39.343 38.460 0.119 0.000 1.182 181 Y HN 0.944 nan 8.280 nan 0.000 0.502 182 c N 6.938 125.357 118.600 -0.302 0.000 2.264 182 c HA 0.267 4.836 4.570 -0.000 0.000 0.324 182 c C -0.043 173.767 174.090 -0.467 0.000 1.267 182 c CA -0.924 55.250 56.329 -0.259 0.000 1.618 182 c CB -0.126 42.204 42.510 -0.300 0.000 2.278 182 c HN 0.822 nan 8.230 nan 0.000 0.499 183 E N 3.668 123.762 120.200 -0.175 0.000 2.105 183 E HA 0.497 4.847 4.350 -0.000 0.000 0.285 183 E C -0.952 175.688 176.600 0.068 0.000 1.055 183 E CA -0.044 56.344 56.400 -0.020 0.000 0.843 183 E CB 0.489 30.316 29.700 0.212 0.000 1.067 183 E HN 0.636 nan 8.360 nan 0.000 0.398 184 I N 4.999 125.570 120.570 0.002 0.000 2.465 184 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 184 I C -0.096 176.044 176.117 0.039 0.000 1.014 184 I CA -0.892 60.408 61.300 -0.001 0.000 1.093 184 I CB 1.565 39.516 38.000 -0.081 0.000 1.267 184 I HN 0.574 nan 8.210 nan 0.000 0.431 185 D N 4.124 124.555 120.400 0.052 0.000 2.592 185 D HA 0.228 4.868 4.640 -0.000 0.000 0.259 185 D C 0.562 176.875 176.300 0.022 0.000 1.144 185 D CA -0.692 53.340 54.000 0.054 0.000 1.080 185 D CB 1.550 42.404 40.800 0.090 0.000 1.225 185 D HN 0.552 nan 8.370 nan 0.000 0.619 186 G N -1.188 107.626 108.800 0.023 0.000 3.530 186 G HA2 0.246 4.205 3.960 -0.000 0.000 0.269 186 G HA3 0.246 4.205 3.960 -0.000 0.000 0.269 186 G C 0.430 175.332 174.900 0.003 0.000 1.314 186 G CA -0.123 44.983 45.100 0.011 0.000 1.441 186 G HN 0.356 nan 8.290 nan 0.000 0.595 187 S N -0.755 114.943 115.700 -0.004 0.000 2.800 187 S HA 0.368 4.838 4.470 -0.000 0.000 0.266 187 S C 1.273 175.849 174.600 -0.041 0.000 1.029 187 S CA 1.061 59.252 58.200 -0.015 0.000 1.302 187 S CB -0.089 63.110 63.200 -0.001 0.000 1.212 187 S HN 1.514 nan 8.310 nan 0.000 0.683 188 G N 2.196 110.965 108.800 -0.051 0.000 2.248 188 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.252 188 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.252 188 G C -0.747 174.075 174.900 -0.131 0.000 1.085 188 G CA -0.093 44.956 45.100 -0.084 0.000 0.845 188 G HN 0.537 nan 8.290 nan 0.000 0.494 189 N N 0.278 118.894 118.700 -0.140 0.000 2.479 189 N HA 0.550 5.290 4.740 -0.000 0.000 0.261 189 N C 0.455 175.801 175.510 -0.274 0.000 0.979 189 N CA 0.234 53.118 53.050 -0.276 0.000 0.930 189 N CB 1.821 40.133 38.487 -0.293 0.000 1.172 189 N HN 0.451 nan 8.380 nan 0.000 0.499 190 G N 1.514 110.134 108.800 -0.300 0.000 3.161 190 G HA2 0.094 4.054 3.960 -0.000 0.000 0.293 190 G HA3 0.094 4.054 3.960 -0.000 0.000 0.293 190 G C -0.651 174.152 174.900 -0.161 0.000 0.893 190 G CA -0.593 44.378 45.100 -0.215 0.000 1.756 190 G HN 0.523 nan 8.290 nan 0.000 0.549 191 W N 1.370 122.634 121.300 -0.059 0.000 2.381 191 W HA 0.315 4.975 4.660 -0.000 0.000 0.321 191 W C 0.987 177.500 176.519 -0.010 0.000 1.407 191 W CA -0.267 57.068 57.345 -0.016 0.000 1.274 191 W CB 1.148 30.610 29.460 0.005 0.000 1.310 191 W HN 0.254 nan 8.180 nan 0.000 0.551 192 T N 4.240 118.979 114.554 0.307 0.000 2.753 192 T HA 0.407 4.756 4.350 -0.000 0.000 0.297 192 T C -0.655 174.195 174.700 0.250 0.000 0.981 192 T CA -0.627 61.594 62.100 0.202 0.000 0.956 192 T CB 0.086 69.014 68.868 0.101 0.000 0.936 192 T HN 0.129 nan 8.240 nan 0.000 0.463 193 V N 8.634 128.751 119.914 0.338 0.000 2.406 193 V HA 0.365 4.485 4.120 -0.000 0.000 0.272 193 V C 0.703 177.067 176.094 0.449 0.000 1.043 193 V CA -0.391 62.152 62.300 0.406 0.000 0.915 193 V CB 0.470 32.614 31.823 0.534 0.000 0.988 193 V HN 0.974 nan 8.190 nan 0.000 0.466 194 F N 1.467 121.381 119.950 -0.059 0.000 2.706 194 F HA 0.541 5.067 4.527 -0.000 0.000 0.308 194 F C 0.514 175.922 175.800 -0.653 0.000 1.095 194 F CA -0.257 57.588 58.000 -0.258 0.000 1.244 194 F CB 0.719 39.528 39.000 -0.318 0.000 1.063 194 F HN 0.438 nan 8.300 nan 0.000 0.582 195 Q N 2.431 121.769 119.800 -0.771 0.000 2.295 195 Q HA 0.397 4.737 4.340 -0.000 0.000 0.268 195 Q C -1.927 173.707 176.000 -0.609 0.000 1.010 195 Q CA -0.402 54.871 55.803 -0.883 0.000 0.856 195 Q CB 3.168 31.507 28.738 -0.665 0.000 1.349 195 Q HN 0.494 nan 8.270 nan 0.000 0.412 196 K N 2.131 122.174 120.400 -0.594 0.000 2.551 196 K HA 0.640 4.960 4.320 -0.000 0.000 0.269 196 K C -1.456 175.117 176.600 -0.045 0.000 0.949 196 K CA -0.601 55.559 56.287 -0.212 0.000 0.849 196 K CB 1.472 33.954 32.500 -0.031 0.000 1.411 196 K HN 0.485 nan 8.250 nan 0.000 0.432 197 R N 2.731 123.213 120.500 -0.029 0.000 2.626 197 R HA 0.429 4.769 4.340 -0.000 0.000 0.274 197 R C -0.663 175.631 176.300 -0.011 0.000 1.031 197 R CA -0.705 55.399 56.100 0.006 0.000 0.898 197 R CB 1.234 31.532 30.300 -0.003 0.000 1.222 197 R HN 0.605 nan 8.270 nan 0.000 0.455 198 L N -1.391 119.806 121.223 -0.044 0.000 4.379 198 L HA 0.255 4.595 4.340 -0.000 0.000 0.437 198 L C 0.491 177.268 176.870 -0.155 0.000 0.984 198 L CA 0.387 55.178 54.840 -0.082 0.000 1.693 198 L CB -0.231 41.781 42.059 -0.079 0.000 1.966 198 L HN 0.664 nan 8.230 nan 0.000 0.629 199 D N -0.898 119.311 120.400 -0.317 0.000 2.410 199 D HA 0.379 5.019 4.640 -0.000 0.000 0.275 199 D C 1.433 177.247 176.300 -0.811 0.000 1.152 199 D CA 0.627 54.391 54.000 -0.394 0.000 0.825 199 D CB 0.471 41.162 40.800 -0.182 0.000 1.312 199 D HN 0.280 nan 8.370 nan 0.000 0.532 200 G N 0.779 108.952 108.800 -1.046 0.000 2.160 200 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 200 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 200 G C 1.054 175.765 174.900 -0.315 0.000 1.022 200 G CA 0.754 45.300 45.100 -0.924 0.000 0.741 200 G HN 0.870 nan 8.290 nan 0.000 0.508 201 S N -1.877 113.697 115.700 -0.210 0.000 2.561 201 S HA 0.435 4.904 4.470 -0.000 0.000 0.225 201 S C 0.825 175.375 174.600 -0.084 0.000 0.977 201 S CA 0.900 59.029 58.200 -0.119 0.000 0.926 201 S CB 0.341 63.480 63.200 -0.102 0.000 0.769 201 S HN 1.218 nan 8.310 nan 0.000 0.533 202 V N 0.813 120.710 119.914 -0.028 0.000 2.914 202 V HA 0.532 4.652 4.120 -0.000 0.000 0.314 202 V C -0.939 175.177 176.094 0.036 0.000 1.084 202 V CA -1.183 61.097 62.300 -0.032 0.000 0.963 202 V CB 1.833 33.631 31.823 -0.041 0.000 1.025 202 V HN 0.141 nan 8.190 nan 0.000 0.432 203 D N 0.768 121.101 120.400 -0.112 0.000 2.232 203 D HA 0.412 5.052 4.640 -0.000 0.000 0.242 203 D C -0.083 176.051 176.300 -0.278 0.000 1.093 203 D CA -0.351 53.598 54.000 -0.085 0.000 0.845 203 D CB 1.397 42.117 40.800 -0.134 0.000 1.124 203 D HN 0.364 nan 8.370 nan 0.000 0.467 204 F N 1.813 121.697 119.950 -0.110 0.000 2.765 204 F HA 0.141 4.667 4.527 -0.000 0.000 0.302 204 F C 2.087 177.858 175.800 -0.048 0.000 1.111 204 F CA -0.049 57.908 58.000 -0.071 0.000 1.359 204 F CB 0.178 39.247 39.000 0.115 0.000 1.097 204 F HN 0.206 nan 8.300 nan 0.000 0.577 205 K N 1.690 122.115 120.400 0.041 0.000 2.878 205 K HA -0.029 4.291 4.320 -0.000 0.000 0.242 205 K C 0.230 176.840 176.600 0.016 0.000 0.985 205 K CA 0.226 56.554 56.287 0.068 0.000 1.168 205 K CB -0.426 32.070 32.500 -0.007 0.000 0.993 205 K HN 0.125 nan 8.250 nan 0.000 0.476 206 K N 1.407 121.707 120.400 -0.168 0.000 2.138 206 K HA 0.022 4.342 4.320 -0.000 0.000 0.251 206 K C 0.744 177.429 176.600 0.142 0.000 1.015 206 K CA -0.344 55.766 56.287 -0.294 0.000 0.917 206 K CB 0.419 32.275 32.500 -1.074 0.000 1.021 206 K HN 0.241 nan 8.250 nan 0.000 0.485 207 N N -0.258 118.575 118.700 0.223 0.000 2.465 207 N HA -0.000 4.740 4.740 -0.000 0.000 0.294 207 N C 0.963 176.682 175.510 0.347 0.000 1.333 207 N CA -0.309 52.945 53.050 0.340 0.000 0.932 207 N CB -0.302 38.350 38.487 0.276 0.000 1.092 207 N HN 0.721 nan 8.380 nan 0.000 0.519 208 W N -0.045 121.305 121.300 0.083 0.000 2.409 208 W HA 0.087 4.746 4.660 -0.000 0.000 0.299 208 W C 1.432 178.048 176.519 0.162 0.000 1.203 208 W CA 0.804 58.241 57.345 0.153 0.000 1.298 208 W CB -0.229 29.249 29.460 0.029 0.000 1.127 208 W HN 0.363 nan 8.180 nan 0.000 0.528 209 I N 1.168 121.821 120.570 0.139 0.000 2.315 209 I HA -0.328 3.842 4.170 -0.000 0.000 0.248 209 I C 2.379 178.478 176.117 -0.030 0.000 1.117 209 I CA 1.391 62.714 61.300 0.037 0.000 1.404 209 I CB -0.568 37.510 38.000 0.130 0.000 1.071 209 I HN 0.053 nan 8.210 nan 0.000 0.419 210 Q N -0.554 119.249 119.800 0.004 0.000 2.297 210 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 210 Q C 1.806 177.844 176.000 0.065 0.000 0.962 210 Q CA 1.153 56.951 55.803 -0.008 0.000 0.879 210 Q CB -0.052 28.593 28.738 -0.154 0.000 0.947 210 Q HN 0.480 nan 8.270 nan 0.000 0.462 211 Y N 1.106 121.412 120.300 0.010 0.000 2.420 211 Y HA -0.047 4.503 4.550 -0.000 0.000 0.292 211 Y C 2.251 178.020 175.900 -0.218 0.000 1.119 211 Y CA 0.757 58.855 58.100 -0.003 0.000 1.229 211 Y CB 0.252 38.662 38.460 -0.085 0.000 1.026 211 Y HN -0.031 nan 8.280 nan 0.000 0.554 212 K N 0.255 120.457 120.400 -0.331 0.000 2.005 212 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 212 K C 1.582 178.035 176.600 -0.245 0.000 1.044 212 K CA 1.509 57.514 56.287 -0.471 0.000 0.942 212 K CB 0.007 32.236 32.500 -0.452 0.000 0.727 212 K HN 0.066 nan 8.250 nan 0.000 0.439 213 E N 0.507 120.629 120.200 -0.130 0.000 2.338 213 E HA 0.017 4.367 4.350 -0.000 0.000 0.197 213 E C 0.936 177.489 176.600 -0.079 0.000 1.007 213 E CA 0.861 57.212 56.400 -0.082 0.000 0.849 213 E CB -0.223 29.462 29.700 -0.024 0.000 0.774 213 E HN 0.575 nan 8.360 nan 0.000 0.506 214 G N 1.243 110.024 108.800 -0.032 0.000 2.746 214 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.685 214 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.685 214 G C -0.456 174.482 174.900 0.063 0.000 1.350 214 G CA -0.390 44.678 45.100 -0.053 0.000 0.837 214 G HN 0.256 nan 8.290 nan 0.000 0.564 215 F N -2.352 117.591 119.950 -0.011 0.000 2.858 215 F HA 0.877 5.404 4.527 -0.000 0.000 0.319 215 F C 0.668 176.466 175.800 -0.004 0.000 1.166 215 F CA 0.229 58.194 58.000 -0.059 0.000 0.899 215 F CB 0.807 39.689 39.000 -0.196 0.000 1.332 215 F HN 2.589 nan 8.300 nan 0.000 0.461 216 G N 0.299 109.247 108.800 0.247 0.000 2.500 216 G HA2 0.189 4.149 3.960 -0.000 0.000 0.209 216 G HA3 0.189 4.149 3.960 -0.000 0.000 0.209 216 G C -1.844 173.176 174.900 0.200 0.000 1.283 216 G CA -0.397 44.773 45.100 0.116 0.000 0.960 216 G HN 1.330 nan 8.290 nan 0.000 0.528 217 H N -1.620 117.453 119.070 0.004 0.000 2.949 217 H HA 0.750 5.306 4.556 -0.000 0.000 0.356 217 H C -0.552 174.551 175.328 -0.375 0.000 1.212 217 H CA -0.989 54.982 56.048 -0.128 0.000 1.136 217 H CB 2.022 31.735 29.762 -0.082 0.000 1.869 217 H HN 0.464 nan 8.280 nan 0.000 0.556 218 L N 1.491 122.577 121.223 -0.229 0.000 2.386 218 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 218 L C -0.579 176.170 176.870 -0.202 0.000 0.993 218 L CA -0.591 54.007 54.840 -0.403 0.000 0.819 218 L CB 2.032 43.880 42.059 -0.351 0.000 1.294 218 L HN 0.669 nan 8.230 nan 0.000 0.414 219 S N 0.764 116.353 115.700 -0.186 0.000 2.632 219 S HA 0.624 5.093 4.470 -0.000 0.000 0.289 219 S C -2.598 172.026 174.600 0.040 0.000 1.115 219 S CA -1.430 56.725 58.200 -0.075 0.000 0.889 219 S CB 2.174 65.324 63.200 -0.083 0.000 1.116 219 S HN 0.328 nan 8.310 nan 0.000 0.486 220 P HA 0.211 nan 4.420 nan 0.000 0.245 220 P C 0.433 177.878 177.300 0.241 0.000 1.212 220 P CA 0.458 63.667 63.100 0.182 0.000 0.774 220 P CB -0.034 31.726 31.700 0.100 0.000 0.999 221 T N -3.237 111.394 114.554 0.127 0.000 3.043 221 T HA 0.356 4.706 4.350 -0.000 0.000 0.272 221 T C 1.259 175.924 174.700 -0.059 0.000 0.990 221 T CA 0.252 62.410 62.100 0.096 0.000 0.897 221 T CB 0.245 69.138 68.868 0.040 0.000 1.111 221 T HN 0.126 nan 8.240 nan 0.000 0.529 222 G N 2.371 110.961 108.800 -0.349 0.000 2.198 222 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.257 222 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.257 222 G C 0.094 174.826 174.900 -0.278 0.000 1.042 222 G CA 0.190 44.870 45.100 -0.700 0.000 0.791 222 G HN 0.492 nan 8.290 nan 0.000 0.502 223 T N 0.861 115.315 114.554 -0.166 0.000 3.145 223 T HA 0.586 4.936 4.350 -0.000 0.000 0.362 223 T C 0.034 174.700 174.700 -0.057 0.000 1.340 223 T CA 0.564 62.614 62.100 -0.082 0.000 1.069 223 T CB 1.251 70.088 68.868 -0.051 0.000 1.129 223 T HN 1.088 nan 8.240 nan 0.000 0.585 224 T N 2.864 117.409 114.554 -0.015 0.000 4.249 224 T HA 0.053 4.402 4.350 -0.000 0.000 0.374 224 T C -1.009 173.830 174.700 0.232 0.000 0.858 224 T CA -0.755 61.366 62.100 0.035 0.000 0.976 224 T CB 0.341 69.181 68.868 -0.046 0.000 1.224 224 T HN 0.527 nan 8.240 nan 0.000 0.447 225 E N 4.309 124.625 120.200 0.195 0.000 2.413 225 E HA 0.517 4.867 4.350 -0.000 0.000 0.263 225 E C -0.146 176.717 176.600 0.439 0.000 1.015 225 E CA -0.110 56.477 56.400 0.310 0.000 0.916 225 E CB 0.430 30.289 29.700 0.265 0.000 0.947 225 E HN 0.546 nan 8.360 nan 0.000 0.440 226 F N -1.031 118.980 119.950 0.102 0.000 2.817 226 F HA 0.517 5.044 4.527 -0.000 0.000 0.317 226 F C -1.881 173.870 175.800 -0.082 0.000 1.168 226 F CA -1.630 56.325 58.000 -0.075 0.000 0.911 226 F CB 1.205 40.152 39.000 -0.089 0.000 1.337 226 F HN 0.554 nan 8.300 nan 0.000 0.464 227 W N 4.489 125.393 121.300 -0.661 0.000 2.563 227 W HA 0.350 5.010 4.660 -0.000 0.000 0.301 227 W C -0.264 175.965 176.519 -0.483 0.000 1.006 227 W CA -0.815 56.074 57.345 -0.760 0.000 1.382 227 W CB 1.820 30.491 29.460 -1.315 0.000 1.262 227 W HN 0.888 nan 8.180 nan 0.000 0.403 228 L N 4.662 125.580 121.223 -0.508 0.000 2.197 228 L HA -0.045 4.295 4.340 -0.000 0.000 0.215 228 L C 0.954 177.542 176.870 -0.470 0.000 1.095 228 L CA 2.505 57.192 54.840 -0.256 0.000 0.764 228 L CB -0.293 41.721 42.059 -0.074 0.000 0.897 228 L HN 0.638 nan 8.230 nan 0.000 0.436 229 G N -1.734 106.556 108.800 -0.849 0.000 2.885 229 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.685 229 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.685 229 G C -0.230 174.357 174.900 -0.521 0.000 1.216 229 G CA -0.052 44.720 45.100 -0.547 0.000 0.790 229 G HN 0.271 nan 8.290 nan 0.000 0.631 230 N N 0.260 118.701 118.700 -0.432 0.000 2.062 230 N HA -0.125 4.615 4.740 -0.000 0.000 0.191 230 N C 1.976 177.151 175.510 -0.559 0.000 1.042 230 N CA 1.199 53.876 53.050 -0.622 0.000 0.845 230 N CB -0.067 37.653 38.487 -1.279 0.000 1.024 230 N HN 0.654 nan 8.380 nan 0.000 0.424 231 E N 1.742 121.559 120.200 -0.638 0.000 2.284 231 E HA -0.211 4.139 4.350 -0.000 0.000 0.200 231 E C 1.570 178.153 176.600 -0.029 0.000 1.008 231 E CA 1.481 57.815 56.400 -0.110 0.000 0.829 231 E CB 0.048 29.715 29.700 -0.055 0.000 0.744 231 E HN 0.226 nan 8.360 nan 0.000 0.491 232 K N -0.567 119.707 120.400 -0.210 0.000 2.017 232 K HA 0.081 4.401 4.320 -0.000 0.000 0.207 232 K C 2.113 178.644 176.600 -0.115 0.000 1.035 232 K CA 1.075 57.191 56.287 -0.286 0.000 0.947 232 K CB -0.232 31.881 32.500 -0.645 0.000 0.749 232 K HN 0.092 nan 8.250 nan 0.000 0.443 233 I N 1.058 121.547 120.570 -0.135 0.000 2.290 233 I HA -0.376 3.793 4.170 -0.000 0.000 0.253 233 I C 2.322 178.435 176.117 -0.007 0.000 1.112 233 I CA 1.481 62.742 61.300 -0.064 0.000 1.377 233 I CB -0.597 37.438 38.000 0.058 0.000 1.060 233 I HN 0.345 nan 8.210 nan 0.000 0.428 234 H N 1.720 120.777 119.070 -0.023 0.000 2.340 234 H HA -0.197 4.359 4.556 -0.000 0.000 0.294 234 H C 2.135 177.448 175.328 -0.024 0.000 1.056 234 H CA 2.206 58.265 56.048 0.018 0.000 1.185 234 H CB -0.657 29.189 29.762 0.140 0.000 1.379 234 H HN 0.160 nan 8.280 nan 0.000 0.540 235 L N -0.297 120.905 121.223 -0.035 0.000 2.085 235 L HA -0.277 4.062 4.340 -0.000 0.000 0.218 235 L C 2.805 179.631 176.870 -0.074 0.000 1.080 235 L CA 1.913 56.713 54.840 -0.067 0.000 0.776 235 L CB -0.663 41.461 42.059 0.109 0.000 0.891 235 L HN 0.387 nan 8.230 nan 0.000 0.437 236 I N -1.263 119.264 120.570 -0.072 0.000 2.439 236 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 236 I C 2.413 178.243 176.117 -0.478 0.000 1.139 236 I CA 0.938 62.122 61.300 -0.194 0.000 1.438 236 I CB -0.159 37.724 38.000 -0.195 0.000 1.085 236 I HN 0.160 nan 8.210 nan 0.000 0.427 237 S N -0.383 115.081 115.700 -0.392 0.000 2.406 237 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 237 S C 1.374 175.893 174.600 -0.135 0.000 1.030 237 S CA 1.359 59.328 58.200 -0.385 0.000 0.958 237 S CB -0.127 62.829 63.200 -0.406 0.000 0.811 237 S HN 0.559 nan 8.310 nan 0.000 0.489 238 T N 2.079 116.518 114.554 -0.192 0.000 3.368 238 T HA 0.422 4.772 4.350 -0.000 0.000 0.321 238 T C -0.655 173.985 174.700 -0.101 0.000 1.830 238 T CA -0.855 61.158 62.100 -0.144 0.000 1.494 238 T CB -0.214 68.497 68.868 -0.262 0.000 1.045 238 T HN 0.340 nan 8.240 nan 0.000 0.729 239 Q N 0.768 120.575 119.800 0.012 0.000 2.348 239 Q HA 0.607 4.947 4.340 -0.000 0.000 0.265 239 Q C -0.186 175.834 176.000 0.034 0.000 0.998 239 Q CA -1.014 54.803 55.803 0.023 0.000 0.831 239 Q CB 1.609 30.384 28.738 0.062 0.000 1.251 239 Q HN 0.299 nan 8.270 nan 0.000 0.456 240 S N 2.617 118.321 115.700 0.008 0.000 4.344 240 S HA -0.211 4.258 4.470 -0.000 0.000 0.220 240 S C 0.385 174.986 174.600 0.003 0.000 0.655 240 S CA 0.364 58.566 58.200 0.003 0.000 1.293 240 S CB -1.091 62.109 63.200 -0.001 0.000 2.077 240 S HN 1.568 nan 8.310 nan 0.000 0.348 241 A N 5.123 127.946 122.820 0.004 0.000 1.690 241 A HA -0.068 4.252 4.320 -0.000 0.000 0.343 241 A C 0.416 177.994 177.584 -0.010 0.000 0.798 241 A CA 1.741 53.781 52.037 0.005 0.000 1.556 241 A CB -1.084 17.917 19.000 0.002 0.000 0.630 241 A HN 1.148 nan 8.150 nan 0.000 0.184 242 I N 3.882 124.448 120.570 -0.007 0.000 2.827 242 I HA 0.406 4.576 4.170 -0.000 0.000 0.298 242 I C -2.360 173.724 176.117 -0.055 0.000 1.235 242 I CA -2.041 59.214 61.300 -0.076 0.000 1.021 242 I CB 2.728 40.619 38.000 -0.181 0.000 1.259 242 I HN 0.451 nan 8.210 nan 0.000 0.427 243 P HA 0.203 nan 4.420 nan 0.000 0.274 243 P C -1.464 175.839 177.300 0.004 0.000 1.470 243 P CA 0.070 63.213 63.100 0.071 0.000 1.001 243 P CB -0.126 31.686 31.700 0.186 0.000 1.332 244 Y N 2.112 122.462 120.300 0.085 0.000 2.341 244 Y HA 0.455 5.005 4.550 -0.000 0.000 0.340 244 Y C 0.745 176.676 175.900 0.051 0.000 0.997 244 Y CA -0.749 57.393 58.100 0.069 0.000 1.149 244 Y CB 1.531 40.031 38.460 0.067 0.000 1.171 244 Y HN 0.406 nan 8.280 nan 0.000 0.494 245 A N 5.431 128.355 122.820 0.173 0.000 2.276 245 A HA 0.501 4.821 4.320 -0.000 0.000 0.316 245 A C -0.832 176.810 177.584 0.097 0.000 1.229 245 A CA -0.565 51.456 52.037 -0.027 0.000 0.851 245 A CB 0.550 19.364 19.000 -0.310 0.000 1.165 245 A HN 0.770 nan 8.150 nan 0.000 0.513 246 L N 2.200 123.440 121.223 0.029 0.000 2.505 246 L HA 0.764 5.104 4.340 -0.000 0.000 0.226 246 L C 0.561 177.389 176.870 -0.069 0.000 1.211 246 L CA 0.197 54.912 54.840 -0.210 0.000 0.828 246 L CB 0.419 42.106 42.059 -0.620 0.000 1.331 246 L HN 0.895 nan 8.230 nan 0.000 0.513 247 R N -0.488 119.938 120.500 -0.123 0.000 3.112 247 R HA 0.608 4.948 4.340 -0.000 0.000 0.271 247 R C -2.378 173.787 176.300 -0.226 0.000 1.008 247 R CA -0.636 55.367 56.100 -0.160 0.000 0.903 247 R CB 0.908 31.099 30.300 -0.182 0.000 1.267 247 R HN 0.414 nan 8.270 nan 0.000 0.514 248 V N 2.014 121.731 119.914 -0.330 0.000 2.851 248 V HA 0.449 4.569 4.120 -0.000 0.000 0.307 248 V C -1.092 174.735 176.094 -0.445 0.000 1.129 248 V CA -0.773 61.277 62.300 -0.416 0.000 0.932 248 V CB 2.176 33.590 31.823 -0.681 0.000 1.024 248 V HN 0.746 nan 8.190 nan 0.000 0.426 249 E N 4.047 124.016 120.200 -0.385 0.000 2.235 249 E HA 0.448 4.798 4.350 -0.000 0.000 0.252 249 E C -1.530 174.885 176.600 -0.307 0.000 0.886 249 E CA -0.772 55.417 56.400 -0.352 0.000 0.767 249 E CB 1.911 31.436 29.700 -0.292 0.000 1.205 249 E HN 0.289 nan 8.360 nan 0.000 0.421 250 L N 2.099 123.116 121.223 -0.342 0.000 2.357 250 L HA 0.399 4.738 4.340 -0.000 0.000 0.273 250 L C 0.268 177.097 176.870 -0.068 0.000 1.080 250 L CA -0.014 54.722 54.840 -0.173 0.000 0.803 250 L CB 0.763 42.794 42.059 -0.046 0.000 1.174 250 L HN 0.598 nan 8.230 nan 0.000 0.443 251 E N 1.181 121.385 120.200 0.008 0.000 2.216 251 E HA 0.296 4.646 4.350 -0.000 0.000 0.260 251 E C -1.317 175.305 176.600 0.036 0.000 0.880 251 E CA -0.655 55.757 56.400 0.019 0.000 0.765 251 E CB 1.389 31.033 29.700 -0.094 0.000 1.174 251 E HN 0.703 nan 8.360 nan 0.000 0.417 252 D N 1.894 122.427 120.400 0.222 0.000 2.312 252 D HA 0.104 4.743 4.640 -0.000 0.000 0.248 252 D C -0.263 176.130 176.300 0.156 0.000 1.086 252 D CA -0.538 53.609 54.000 0.245 0.000 0.948 252 D CB 0.478 41.499 40.800 0.368 0.000 1.162 252 D HN 0.398 nan 8.370 nan 0.000 0.446 253 W N 0.655 122.057 121.300 0.170 0.000 3.310 253 W HA 0.232 4.891 4.660 -0.000 0.000 0.395 253 W C 0.437 177.029 176.519 0.122 0.000 1.059 253 W CA -0.424 57.000 57.345 0.132 0.000 1.845 253 W CB -0.762 28.777 29.460 0.132 0.000 0.908 253 W HN 0.327 nan 8.180 nan 0.000 0.798 254 N N -0.928 117.941 118.700 0.282 0.000 2.606 254 N HA 0.286 5.025 4.740 -0.000 0.000 0.208 254 N C 1.612 177.211 175.510 0.148 0.000 1.046 254 N CA 1.400 54.568 53.050 0.196 0.000 0.891 254 N CB 0.386 38.975 38.487 0.170 0.000 1.344 254 N HN 0.265 nan 8.380 nan 0.000 0.437 255 G N 0.639 109.522 108.800 0.140 0.000 3.400 255 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.111 255 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.111 255 G C -0.187 174.768 174.900 0.092 0.000 2.370 255 G CA -0.531 44.628 45.100 0.099 0.000 1.153 255 G HN 0.152 nan 8.290 nan 0.000 0.329 256 R N 1.040 121.605 120.500 0.109 0.000 2.840 256 R HA 0.572 4.911 4.340 -0.000 0.000 0.282 256 R C 0.681 177.057 176.300 0.126 0.000 1.133 256 R CA 1.026 57.183 56.100 0.095 0.000 1.208 256 R CB 0.181 30.542 30.300 0.102 0.000 1.160 256 R HN 0.665 nan 8.270 nan 0.000 0.576 257 T N -3.302 111.286 114.554 0.056 0.000 2.696 257 T HA 0.560 4.910 4.350 -0.000 0.000 0.291 257 T C -0.454 174.094 174.700 -0.254 0.000 1.095 257 T CA -0.840 61.245 62.100 -0.026 0.000 1.026 257 T CB 1.458 70.275 68.868 -0.085 0.000 1.390 257 T HN 0.621 nan 8.240 nan 0.000 0.513 258 S N -0.583 114.771 115.700 -0.577 0.000 2.874 258 S HA 0.947 5.417 4.470 -0.000 0.000 0.318 258 S C -0.359 173.924 174.600 -0.528 0.000 1.109 258 S CA -0.226 57.526 58.200 -0.748 0.000 0.878 258 S CB 1.423 63.661 63.200 -1.603 0.000 1.307 258 S HN 1.512 nan 8.310 nan 0.000 0.592 259 T N -1.696 112.570 114.554 -0.481 0.000 2.686 259 T HA 0.627 4.977 4.350 -0.000 0.000 0.308 259 T C -2.207 172.322 174.700 -0.286 0.000 1.667 259 T CA -0.046 61.825 62.100 -0.382 0.000 0.987 259 T CB 0.734 69.424 68.868 -0.297 0.000 1.652 259 T HN 2.198 nan 8.240 nan 0.000 0.496 260 A N 2.239 124.893 122.820 -0.277 0.000 2.534 260 A HA 0.618 4.937 4.320 -0.000 0.000 0.300 260 A C -1.301 176.130 177.584 -0.254 0.000 1.054 260 A CA -0.669 51.282 52.037 -0.143 0.000 0.858 260 A CB 0.959 19.990 19.000 0.052 0.000 1.333 260 A HN 0.812 nan 8.150 nan 0.000 0.391 261 D N 0.039 120.215 120.400 -0.373 0.000 2.560 261 D HA 0.872 5.511 4.640 -0.000 0.000 0.277 261 D C -0.474 175.521 176.300 -0.509 0.000 1.194 261 D CA 0.274 54.067 54.000 -0.345 0.000 1.092 261 D CB 0.354 40.961 40.800 -0.321 0.000 1.169 261 D HN 0.506 nan 8.370 nan 0.000 0.607 262 Y N -1.399 118.715 120.300 -0.310 0.000 2.955 262 Y HA 0.576 5.125 4.550 -0.000 0.000 0.330 262 Y C -1.358 174.225 175.900 -0.529 0.000 1.480 262 Y CA -1.068 56.811 58.100 -0.367 0.000 1.096 262 Y CB 1.050 39.371 38.460 -0.232 0.000 1.828 262 Y HN 0.462 nan 8.280 nan 0.000 0.428 263 A N 0.226 122.897 122.820 -0.250 0.000 2.574 263 A HA 0.683 5.002 4.320 -0.000 0.000 0.297 263 A C -1.041 176.510 177.584 -0.054 0.000 1.062 263 A CA -0.635 51.141 52.037 -0.435 0.000 0.686 263 A CB 1.128 19.599 19.000 -0.882 0.000 1.285 263 A HN 0.817 nan 8.150 nan 0.000 0.403 264 M N 0.078 119.687 119.600 0.015 0.000 2.393 264 M HA -0.166 4.314 4.480 -0.000 0.000 0.201 264 M C -0.340 176.050 176.300 0.149 0.000 0.403 264 M CA 0.586 55.954 55.300 0.113 0.000 0.471 264 M CB -1.900 30.775 32.600 0.126 0.000 1.669 264 M HN 0.923 nan 8.290 nan 0.000 0.864 265 F N 1.933 121.919 119.950 0.059 0.000 2.506 265 F HA 0.457 4.984 4.527 -0.000 0.000 0.371 265 F C 0.329 176.140 175.800 0.019 0.000 1.078 265 F CA 0.110 58.140 58.000 0.050 0.000 1.195 265 F CB 0.332 39.357 39.000 0.042 0.000 1.099 265 F HN 0.142 nan 8.300 nan 0.000 0.548 266 K N 6.174 126.101 120.400 -0.789 0.000 2.615 266 K HA 0.392 4.712 4.320 -0.000 0.000 0.249 266 K C -1.542 174.675 176.600 -0.639 0.000 0.977 266 K CA -0.894 55.010 56.287 -0.639 0.000 0.833 266 K CB 2.213 34.563 32.500 -0.250 0.000 1.208 266 K HN 0.337 nan 8.250 nan 0.000 0.443 267 V N 2.419 121.998 119.914 -0.558 0.000 2.461 267 V HA 0.270 4.389 4.120 -0.000 0.000 0.275 267 V C 0.991 177.167 176.094 0.137 0.000 1.047 267 V CA -0.338 61.864 62.300 -0.164 0.000 0.955 267 V CB 1.230 33.098 31.823 0.076 0.000 0.988 267 V HN 0.910 nan 8.190 nan 0.000 0.471 268 G N 6.284 115.126 108.800 0.071 0.000 2.651 268 G HA2 0.405 4.365 3.960 -0.000 0.000 0.260 268 G HA3 0.405 4.365 3.960 -0.000 0.000 0.260 268 G C -2.491 172.184 174.900 -0.376 0.000 1.216 268 G CA -0.858 44.252 45.100 0.016 0.000 0.913 268 G HN 0.596 nan 8.290 nan 0.000 0.535 269 P HA 0.155 nan 4.420 nan 0.000 0.282 269 P C 0.470 177.279 177.300 -0.818 0.000 1.249 269 P CA -0.339 62.135 63.100 -1.043 0.000 0.806 269 P CB 1.971 33.350 31.700 -0.534 0.000 0.984 270 E N 2.573 122.191 120.200 -0.971 0.000 2.236 270 E HA -0.320 4.030 4.350 -0.000 0.000 0.205 270 E C 1.703 178.157 176.600 -0.244 0.000 1.028 270 E CA 2.086 58.091 56.400 -0.659 0.000 0.827 270 E CB -0.406 29.281 29.700 -0.022 0.000 0.735 270 E HN 0.520 nan 8.360 nan 0.000 0.470 271 A N 0.628 123.333 122.820 -0.193 0.000 1.902 271 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 271 A C 1.783 179.298 177.584 -0.115 0.000 1.181 271 A CA 1.804 53.775 52.037 -0.110 0.000 0.623 271 A CB -0.243 18.710 19.000 -0.078 0.000 0.818 271 A HN 0.349 nan 8.150 nan 0.000 0.443 272 D N -1.290 119.023 120.400 -0.145 0.000 2.587 272 D HA 0.243 4.883 4.640 -0.000 0.000 0.233 272 D C 0.351 176.591 176.300 -0.099 0.000 1.213 272 D CA -0.134 53.806 54.000 -0.098 0.000 0.827 272 D CB -0.058 40.693 40.800 -0.081 0.000 1.006 272 D HN 0.128 nan 8.370 nan 0.000 0.490 273 K N -0.618 119.706 120.400 -0.127 0.000 1.957 273 K HA -0.297 4.023 4.320 -0.000 0.000 0.155 273 K C -0.430 175.951 176.600 -0.364 0.000 1.342 273 K CA 1.254 57.542 56.287 0.002 0.000 0.382 273 K CB -1.433 31.201 32.500 0.223 0.000 0.664 273 K HN 0.318 nan 8.250 nan 0.000 0.799 274 Y N 0.836 121.327 120.300 0.319 0.000 2.720 274 Y HA 0.278 4.828 4.550 -0.000 0.000 0.264 274 Y C 0.453 176.571 175.900 0.362 0.000 0.989 274 Y CA -0.384 57.847 58.100 0.219 0.000 1.100 274 Y CB 0.689 39.186 38.460 0.061 0.000 1.196 274 Y HN 0.261 nan 8.280 nan 0.000 0.631 275 R N 2.443 123.095 120.500 0.254 0.000 2.614 275 R HA -0.018 4.321 4.340 -0.000 0.000 0.335 275 R C 0.054 176.304 176.300 -0.083 0.000 0.859 275 R CA 0.103 56.279 56.100 0.127 0.000 1.123 275 R CB -0.077 30.231 30.300 0.013 0.000 0.887 275 R HN 0.584 nan 8.270 nan 0.000 0.407 276 L N 4.702 125.687 121.223 -0.396 0.000 2.452 276 L HA 0.269 4.609 4.340 -0.000 0.000 0.267 276 L C -0.372 176.162 176.870 -0.560 0.000 1.188 276 L CA 0.247 54.634 54.840 -0.755 0.000 0.821 276 L CB 0.980 42.012 42.059 -1.711 0.000 1.102 276 L HN 0.941 nan 8.230 nan 0.000 0.470 277 T N 0.347 114.581 114.554 -0.533 0.000 2.830 277 T HA 0.571 4.921 4.350 -0.000 0.000 0.322 277 T C -0.845 173.626 174.700 -0.383 0.000 1.501 277 T CA -0.173 61.617 62.100 -0.517 0.000 1.036 277 T CB 1.549 70.240 68.868 -0.296 0.000 1.379 277 T HN 0.863 nan 8.240 nan 0.000 0.493 278 Y N -1.256 118.988 120.300 -0.092 0.000 2.524 278 Y HA 0.902 5.452 4.550 -0.000 0.000 0.234 278 Y C 0.705 176.649 175.900 0.074 0.000 1.951 278 Y CA -0.327 57.767 58.100 -0.009 0.000 0.993 278 Y CB -0.149 38.276 38.460 -0.059 0.000 3.348 278 Y HN 1.109 nan 8.280 nan 0.000 0.303 279 A N -0.967 122.313 122.820 0.767 0.000 1.602 279 A HA 0.509 4.829 4.320 -0.000 0.000 0.198 279 A C -1.125 176.847 177.584 0.647 0.000 1.957 279 A CA 0.705 53.083 52.037 0.568 0.000 1.550 279 A CB 0.383 19.634 19.000 0.418 0.000 1.537 279 A HN 1.315 nan 8.150 nan 0.000 0.312 280 Y N -2.997 117.511 120.300 0.346 0.000 2.393 280 Y HA 0.576 5.126 4.550 -0.000 0.000 0.320 280 Y C -0.856 175.070 175.900 0.043 0.000 1.241 280 Y CA -1.795 56.440 58.100 0.224 0.000 1.122 280 Y CB -0.323 38.240 38.460 0.172 0.000 1.322 280 Y HN 0.513 nan 8.280 nan 0.000 0.441 281 F N 3.924 123.825 119.950 -0.081 0.000 2.604 281 F HA 0.322 4.849 4.527 -0.000 0.000 0.390 281 F C 0.588 176.309 175.800 -0.132 0.000 1.053 281 F CA 0.899 58.663 58.000 -0.393 0.000 1.256 281 F CB 0.871 39.763 39.000 -0.181 0.000 0.996 281 F HN 0.814 nan 8.300 nan 0.000 0.564 282 A N 5.142 127.516 122.820 -0.743 0.000 2.637 282 A HA 0.601 4.921 4.320 -0.000 0.000 0.293 282 A C 0.656 177.819 177.584 -0.702 0.000 1.216 282 A CA 0.222 51.965 52.037 -0.491 0.000 0.956 282 A CB -1.010 17.737 19.000 -0.422 0.000 1.174 282 A HN 1.990 nan 8.150 nan 0.000 0.525 283 G N -1.611 106.280 108.800 -1.514 0.000 2.692 283 G HA2 0.522 4.482 3.960 -0.000 0.000 0.686 283 G HA3 0.522 4.482 3.960 -0.000 0.000 0.686 283 G C 0.146 174.540 174.900 -0.843 0.000 1.243 283 G CA -0.308 44.142 45.100 -1.084 0.000 0.782 283 G HN 2.357 nan 8.290 nan 0.000 0.625 284 G N 0.430 109.044 108.800 -0.309 0.000 2.088 284 G HA2 0.561 4.521 3.960 -0.000 0.000 0.222 284 G HA3 0.561 4.521 3.960 -0.000 0.000 0.222 284 G C 0.108 175.038 174.900 0.050 0.000 1.690 284 G CA 0.528 45.555 45.100 -0.122 0.000 0.923 284 G HN 1.874 nan 8.290 nan 0.000 0.730 285 D N 0.726 121.096 120.400 -0.049 0.000 2.489 285 D HA 0.207 4.847 4.640 -0.000 0.000 0.265 285 D C 1.072 177.280 176.300 -0.154 0.000 1.305 285 D CA 0.872 54.842 54.000 -0.050 0.000 0.963 285 D CB 0.362 41.120 40.800 -0.070 0.000 0.984 285 D HN 0.663 nan 8.370 nan 0.000 0.492 286 A N -0.174 122.576 122.820 -0.115 0.000 1.976 286 A HA 0.677 4.997 4.320 -0.000 0.000 0.199 286 A C 1.033 178.673 177.584 0.094 0.000 2.152 286 A CA 0.479 52.389 52.037 -0.212 0.000 1.086 286 A CB 0.742 19.559 19.000 -0.305 0.000 1.181 286 A HN 0.617 nan 8.150 nan 0.000 0.642 287 G N -0.027 108.877 108.800 0.174 0.000 2.277 287 G HA2 0.339 4.299 3.960 -0.000 0.000 0.272 287 G HA3 0.339 4.299 3.960 -0.000 0.000 0.272 287 G C -1.836 172.961 174.900 -0.172 0.000 1.692 287 G CA -0.103 44.941 45.100 -0.094 0.000 0.926 287 G HN 0.315 nan 8.290 nan 0.000 0.720 288 D N 1.372 121.304 120.400 -0.780 0.000 2.357 288 D HA 0.402 5.042 4.640 -0.000 0.000 0.265 288 D C 1.247 177.402 176.300 -0.243 0.000 1.334 288 D CA 0.656 54.374 54.000 -0.470 0.000 0.984 288 D CB 0.943 41.331 40.800 -0.686 0.000 1.077 288 D HN 0.670 nan 8.370 nan 0.000 0.514 289 A N 4.128 126.761 122.820 -0.313 0.000 2.115 289 A HA 0.004 4.324 4.320 -0.000 0.000 0.211 289 A C 1.439 179.041 177.584 0.030 0.000 1.169 289 A CA -0.155 51.598 52.037 -0.474 0.000 0.787 289 A CB -0.180 18.048 19.000 -1.288 0.000 0.858 289 A HN 0.488 nan 8.150 nan 0.000 0.474 290 F N 0.741 120.785 119.950 0.157 0.000 2.664 290 F HA -0.006 4.521 4.527 -0.000 0.000 0.297 290 F C 0.966 177.069 175.800 0.504 0.000 1.164 290 F CA 0.817 59.140 58.000 0.537 0.000 1.472 290 F CB -0.412 38.945 39.000 0.595 0.000 1.108 290 F HN 0.282 nan 8.300 nan 0.000 0.596 291 D N -0.380 120.308 120.400 0.479 0.000 2.593 291 D HA 0.387 5.027 4.640 -0.000 0.000 0.241 291 D C 0.576 176.968 176.300 0.153 0.000 1.257 291 D CA 0.685 54.869 54.000 0.307 0.000 0.828 291 D CB 0.045 41.023 40.800 0.296 0.000 1.049 291 D HN 0.226 nan 8.370 nan 0.000 0.490 292 G N 0.348 109.226 108.800 0.129 0.000 2.707 292 G HA2 0.018 3.978 3.960 -0.000 0.000 0.686 292 G HA3 0.018 3.978 3.960 -0.000 0.000 0.686 292 G C -1.127 173.818 174.900 0.074 0.000 1.315 292 G CA -0.576 44.552 45.100 0.046 0.000 0.832 292 G HN 0.200 nan 8.290 nan 0.000 0.573 293 F N 0.315 120.106 119.950 -0.266 0.000 2.641 293 F HA 0.672 5.199 4.527 -0.000 0.000 0.308 293 F C -1.251 174.208 175.800 -0.569 0.000 1.105 293 F CA -1.818 55.917 58.000 -0.441 0.000 0.964 293 F CB 2.328 40.955 39.000 -0.621 0.000 1.294 293 F HN 0.467 nan 8.300 nan 0.000 0.442 294 D N 4.296 124.169 120.400 -0.879 0.000 2.518 294 D HA 0.290 4.930 4.640 -0.000 0.000 0.230 294 D C 0.628 176.204 176.300 -1.206 0.000 1.138 294 D CA 0.015 53.535 54.000 -0.799 0.000 0.964 294 D CB -0.007 40.621 40.800 -0.285 0.000 1.011 294 D HN 0.318 nan 8.370 nan 0.000 0.517 295 F N 1.069 120.425 119.950 -0.990 0.000 2.307 295 F HA 0.061 4.587 4.527 -0.000 0.000 0.301 295 F C 2.381 177.985 175.800 -0.326 0.000 1.076 295 F CA 1.011 58.589 58.000 -0.703 0.000 1.383 295 F CB -0.178 38.587 39.000 -0.393 0.000 1.055 295 F HN 0.523 nan 8.300 nan 0.000 0.526 296 G N -0.704 108.028 108.800 -0.113 0.000 2.218 296 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 296 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 296 G C -0.154 174.749 174.900 0.004 0.000 0.994 296 G CA -0.044 45.031 45.100 -0.042 0.000 0.637 296 G HN 0.324 nan 8.290 nan 0.000 0.505 297 D N 1.938 122.362 120.400 0.039 0.000 2.619 297 D HA 0.495 5.135 4.640 -0.000 0.000 0.224 297 D C 0.108 176.427 176.300 0.031 0.000 1.133 297 D CA 1.080 55.102 54.000 0.037 0.000 1.017 297 D CB 0.324 41.147 40.800 0.037 0.000 1.077 297 D HN 0.548 nan 8.370 nan 0.000 0.503 298 D N 0.158 120.570 120.400 0.020 0.000 8.644 298 D HA -0.122 4.518 4.640 -0.000 0.000 0.260 298 D C -2.122 174.200 176.300 0.037 0.000 2.405 298 D CA -0.657 53.360 54.000 0.028 0.000 2.292 298 D CB 0.130 40.948 40.800 0.030 0.000 0.893 298 D HN 0.075 nan 8.370 nan 0.000 0.594 299 P HA -0.101 nan 4.420 nan 0.000 0.216 299 P C 0.481 177.830 177.300 0.082 0.000 1.154 299 P CA 1.288 64.411 63.100 0.038 0.000 0.865 299 P CB 0.125 31.844 31.700 0.032 0.000 0.789 300 S N -0.070 115.711 115.700 0.135 0.000 3.613 300 S HA -0.017 4.453 4.470 -0.000 0.000 0.220 300 S C 0.512 175.327 174.600 0.357 0.000 1.261 300 S CA 0.524 58.891 58.200 0.278 0.000 1.143 300 S CB -0.975 62.439 63.200 0.356 0.000 1.315 300 S HN 0.161 nan 8.310 nan 0.000 0.450 301 D N 0.999 121.519 120.400 0.200 0.000 2.766 301 D HA 0.103 4.743 4.640 -0.000 0.000 0.284 301 D C 1.794 178.136 176.300 0.071 0.000 1.050 301 D CA 0.336 54.418 54.000 0.137 0.000 0.945 301 D CB 0.049 40.855 40.800 0.008 0.000 1.272 301 D HN 0.255 nan 8.370 nan 0.000 0.482 302 K N 0.145 120.559 120.400 0.024 0.000 1.984 302 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 302 K C 1.977 178.601 176.600 0.039 0.000 1.046 302 K CA 0.895 57.190 56.287 0.014 0.000 0.934 302 K CB -0.362 32.158 32.500 0.034 0.000 0.717 302 K HN 0.043 nan 8.250 nan 0.000 0.438 303 F N 0.634 120.548 119.950 -0.060 0.000 2.271 303 F HA -0.222 4.305 4.527 -0.000 0.000 0.302 303 F C 1.183 176.829 175.800 -0.256 0.000 1.063 303 F CA 1.412 59.306 58.000 -0.177 0.000 1.362 303 F CB -0.080 38.745 39.000 -0.290 0.000 1.060 303 F HN 0.058 nan 8.300 nan 0.000 0.521 304 F N -0.308 119.510 119.950 -0.220 0.000 2.343 304 F HA 0.061 4.588 4.527 -0.000 0.000 0.286 304 F C 2.436 178.099 175.800 -0.229 0.000 1.057 304 F CA 1.347 59.181 58.000 -0.278 0.000 1.365 304 F CB -1.102 37.837 39.000 -0.101 0.000 1.114 304 F HN -0.121 nan 8.300 nan 0.000 0.545 305 T N -2.228 112.351 114.554 0.042 0.000 3.439 305 T HA 0.067 4.416 4.350 -0.000 0.000 0.251 305 T C 0.700 175.291 174.700 -0.181 0.000 1.108 305 T CA 0.055 62.139 62.100 -0.026 0.000 0.982 305 T CB -0.619 68.309 68.868 0.100 0.000 1.024 305 T HN 0.033 nan 8.240 nan 0.000 0.573 306 S N 0.011 115.593 115.700 -0.196 0.000 2.537 306 S HA 0.325 4.795 4.470 -0.000 0.000 0.275 306 S C 0.512 174.960 174.600 -0.254 0.000 1.272 306 S CA -0.565 57.546 58.200 -0.148 0.000 1.050 306 S CB 0.623 63.742 63.200 -0.135 0.000 0.961 306 S HN 0.564 nan 8.310 nan 0.000 0.496 307 H N 2.431 121.556 119.070 0.091 0.000 2.422 307 H HA 0.268 4.824 4.556 -0.000 0.000 0.303 307 H C 0.694 175.857 175.328 -0.276 0.000 1.033 307 H CA 0.239 56.244 56.048 -0.072 0.000 1.335 307 H CB -0.355 29.255 29.762 -0.254 0.000 1.458 307 H HN 0.617 nan 8.280 nan 0.000 0.556 308 N N 1.178 119.776 118.700 -0.171 0.000 2.036 308 N HA -0.089 4.651 4.740 -0.000 0.000 0.288 308 N C 1.260 176.564 175.510 -0.343 0.000 1.293 308 N CA 1.511 54.245 53.050 -0.526 0.000 0.808 308 N CB 0.104 38.332 38.487 -0.432 0.000 1.040 308 N HN 0.724 nan 8.380 nan 0.000 0.489 309 G N 2.715 111.282 108.800 -0.387 0.000 2.225 309 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 309 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 309 G C 0.092 174.905 174.900 -0.145 0.000 0.988 309 G CA 0.325 45.291 45.100 -0.224 0.000 0.625 309 G HN 0.592 nan 8.290 nan 0.000 0.527 310 M N 2.123 121.639 119.600 -0.141 0.000 2.227 310 M HA 0.273 4.753 4.480 -0.000 0.000 0.349 310 M C 1.195 177.562 176.300 0.111 0.000 1.443 310 M CA 0.041 55.340 55.300 -0.002 0.000 1.110 310 M CB 0.387 33.032 32.600 0.074 0.000 1.773 310 M HN 0.404 nan 8.290 nan 0.000 0.463 311 Q N 1.224 121.115 119.800 0.152 0.000 2.841 311 Q HA 0.198 4.537 4.340 -0.000 0.000 0.198 311 Q C -0.773 175.516 176.000 0.482 0.000 1.135 311 Q CA 0.270 56.230 55.803 0.260 0.000 1.167 311 Q CB 0.502 29.338 28.738 0.162 0.000 1.288 311 Q HN 0.561 nan 8.270 nan 0.000 0.670 312 F N -0.097 120.079 119.950 0.377 0.000 2.480 312 F HA 0.335 4.862 4.527 -0.000 0.000 0.329 312 F C -0.781 175.166 175.800 0.245 0.000 1.091 312 F CA -0.225 57.931 58.000 0.261 0.000 0.972 312 F CB 1.468 40.611 39.000 0.239 0.000 1.150 312 F HN 0.331 nan 8.300 nan 0.000 0.467 313 S N 1.904 117.397 115.700 -0.345 0.000 2.569 313 S HA 0.791 5.260 4.470 -0.000 0.000 0.280 313 S C -0.895 173.566 174.600 -0.232 0.000 1.111 313 S CA -0.867 57.267 58.200 -0.110 0.000 0.887 313 S CB 1.854 65.025 63.200 -0.049 0.000 1.095 313 S HN 0.762 nan 8.310 nan 0.000 0.476 314 T N -1.145 113.423 114.554 0.023 0.000 2.916 314 T HA 0.424 4.774 4.350 -0.000 0.000 0.305 314 T C 1.100 175.811 174.700 0.018 0.000 1.119 314 T CA -1.142 61.003 62.100 0.075 0.000 1.008 314 T CB 0.904 69.919 68.868 0.244 0.000 1.129 314 T HN 0.932 nan 8.240 nan 0.000 0.480 315 W N 2.943 124.308 121.300 0.110 0.000 2.258 315 W HA -0.267 4.393 4.660 -0.000 0.000 0.302 315 W C 0.174 176.736 176.519 0.071 0.000 1.241 315 W CA 2.221 59.616 57.345 0.082 0.000 1.246 315 W CB -1.067 28.442 29.460 0.082 0.000 1.134 315 W HN 0.802 nan 8.180 nan 0.000 0.531 316 D N -0.563 119.246 120.400 -0.985 0.000 2.368 316 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 316 D C -0.481 175.548 176.300 -0.451 0.000 1.112 316 D CA -0.197 53.246 54.000 -0.927 0.000 0.834 316 D CB -0.947 38.891 40.800 -1.604 0.000 0.953 316 D HN 0.194 nan 8.370 nan 0.000 0.505 317 N N 0.839 119.366 118.700 -0.287 0.000 2.725 317 N HA 0.045 4.785 4.740 -0.000 0.000 0.248 317 N C -1.633 173.783 175.510 -0.157 0.000 1.402 317 N CA -0.362 52.519 53.050 -0.282 0.000 0.766 317 N CB 0.820 39.081 38.487 -0.378 0.000 1.223 317 N HN -0.127 nan 8.380 nan 0.000 0.515 318 D N 0.903 121.224 120.400 -0.132 0.000 2.342 318 D HA 0.124 4.764 4.640 -0.000 0.000 0.260 318 D C -0.175 176.085 176.300 -0.066 0.000 1.278 318 D CA 0.486 54.442 54.000 -0.073 0.000 0.910 318 D CB 0.448 41.209 40.800 -0.064 0.000 1.079 318 D HN 0.507 nan 8.370 nan 0.000 0.496 319 N N 1.953 120.636 118.700 -0.027 0.000 2.160 319 N HA 0.043 4.783 4.740 -0.000 0.000 0.226 319 N C -0.536 174.994 175.510 0.033 0.000 1.256 319 N CA -0.496 52.553 53.050 -0.002 0.000 0.890 319 N CB 0.617 39.120 38.487 0.026 0.000 1.116 319 N HN 0.410 nan 8.380 nan 0.000 0.517 320 D N 0.167 120.591 120.400 0.039 0.000 2.356 320 D HA 0.083 4.723 4.640 -0.000 0.000 0.258 320 D C 0.808 177.148 176.300 0.067 0.000 1.279 320 D CA -0.040 54.002 54.000 0.071 0.000 1.016 320 D CB 0.880 41.734 40.800 0.091 0.000 1.107 320 D HN -0.231 nan 8.370 nan 0.000 0.544 321 K N -1.494 118.970 120.400 0.108 0.000 2.353 321 K HA 0.097 4.417 4.320 -0.000 0.000 0.195 321 K C -0.002 176.695 176.600 0.162 0.000 1.031 321 K CA -0.419 55.948 56.287 0.133 0.000 1.079 321 K CB 0.001 32.613 32.500 0.188 0.000 0.857 321 K HN 0.397 nan 8.250 nan 0.000 0.535 322 F N 3.490 123.429 119.950 -0.019 0.000 2.420 322 F HA 0.075 4.602 4.527 -0.000 0.000 0.352 322 F C 1.167 176.935 175.800 -0.053 0.000 1.108 322 F CA -1.442 56.514 58.000 -0.074 0.000 1.162 322 F CB 0.901 39.811 39.000 -0.150 0.000 1.118 322 F HN 0.094 nan 8.300 nan 0.000 0.510 323 E N 2.906 122.703 120.200 -0.671 0.000 2.492 323 E HA -0.041 4.309 4.350 -0.000 0.000 0.204 323 E C 1.215 177.295 176.600 -0.866 0.000 1.073 323 E CA 0.888 56.913 56.400 -0.624 0.000 0.887 323 E CB -0.294 29.186 29.700 -0.367 0.000 0.813 323 E HN 0.768 nan 8.360 nan 0.000 0.562 324 G N 1.487 109.274 108.800 -1.690 0.000 3.142 324 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.178 324 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.178 324 G C -0.016 174.681 174.900 -0.340 0.000 1.941 324 G CA 0.026 44.597 45.100 -0.882 0.000 0.902 324 G HN 0.356 nan 8.290 nan 0.000 0.517 325 N N -2.013 116.640 118.700 -0.080 0.000 3.771 325 N HA 0.010 4.750 4.740 -0.000 0.000 0.143 325 N C 0.791 176.359 175.510 0.096 0.000 1.391 325 N CA -0.332 52.729 53.050 0.018 0.000 1.233 325 N CB -0.392 38.117 38.487 0.036 0.000 1.721 325 N HN 0.248 nan 8.380 nan 0.000 0.698 326 c N 0.622 119.294 118.600 0.119 0.000 2.326 326 c HA -0.307 4.263 4.570 -0.000 0.000 0.269 326 c C 2.974 177.123 174.090 0.098 0.000 1.140 326 c CA 1.860 58.227 56.329 0.062 0.000 1.798 326 c CB -1.488 41.041 42.510 0.033 0.000 2.053 326 c HN 0.861 nan 8.230 nan 0.000 0.438 327 A N -0.045 122.843 122.820 0.114 0.000 1.915 327 A HA -0.341 3.979 4.320 -0.000 0.000 0.220 327 A C 2.125 179.846 177.584 0.229 0.000 1.198 327 A CA 2.564 54.693 52.037 0.154 0.000 0.647 327 A CB -0.768 18.295 19.000 0.104 0.000 0.825 327 A HN 0.811 nan 8.150 nan 0.000 0.456 328 E N -0.615 119.724 120.200 0.232 0.000 2.060 328 E HA -0.111 4.239 4.350 -0.000 0.000 0.189 328 E C 1.417 178.126 176.600 0.181 0.000 0.974 328 E CA 0.582 57.134 56.400 0.254 0.000 0.808 328 E CB -0.143 29.718 29.700 0.268 0.000 0.768 328 E HN 0.719 nan 8.360 nan 0.000 0.453 329 Q N 0.224 120.121 119.800 0.161 0.000 2.294 329 Q HA -0.023 4.317 4.340 -0.000 0.000 0.222 329 Q C -0.341 175.774 176.000 0.192 0.000 0.903 329 Q CA 0.256 56.161 55.803 0.170 0.000 0.966 329 Q CB 0.320 29.150 28.738 0.153 0.000 1.091 329 Q HN 0.294 nan 8.270 nan 0.000 0.438 330 D N -1.467 119.062 120.400 0.214 0.000 2.412 330 D HA 0.045 4.684 4.640 -0.000 0.000 0.326 330 D C 0.291 176.748 176.300 0.263 0.000 1.209 330 D CA 0.449 54.626 54.000 0.294 0.000 0.876 330 D CB 0.985 42.006 40.800 0.368 0.000 1.344 330 D HN 0.324 nan 8.370 nan 0.000 0.503 331 G N 2.463 111.383 108.800 0.200 0.000 2.370 331 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.295 331 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.295 331 G C 0.215 175.225 174.900 0.184 0.000 1.045 331 G CA 1.129 46.318 45.100 0.149 0.000 1.199 331 G HN 0.644 nan 8.290 nan 0.000 0.513 332 S N -1.007 114.849 115.700 0.260 0.000 2.715 332 S HA 0.914 5.384 4.470 -0.000 0.000 0.284 332 S C -0.152 174.609 174.600 0.268 0.000 1.216 332 S CA 0.211 58.585 58.200 0.291 0.000 0.970 332 S CB 1.258 64.586 63.200 0.213 0.000 1.273 332 S HN 2.093 nan 8.310 nan 0.000 0.509 333 G N -0.025 108.792 108.800 0.029 0.000 2.740 333 G HA2 0.620 4.579 3.960 -0.000 0.000 0.296 333 G HA3 0.620 4.579 3.960 -0.000 0.000 0.296 333 G C -1.631 172.738 174.900 -0.885 0.000 1.439 333 G CA -0.408 44.344 45.100 -0.579 0.000 1.066 333 G HN 1.007 nan 8.290 nan 0.000 0.527 334 W N 2.631 122.937 121.300 -1.657 0.000 3.073 334 W HA 0.278 4.938 4.660 -0.000 0.000 0.347 334 W C -1.542 174.243 176.519 -1.224 0.000 1.059 334 W CA -1.301 55.171 57.345 -1.454 0.000 1.075 334 W CB 0.742 29.958 29.460 -0.407 0.000 1.467 334 W HN 0.518 nan 8.180 nan 0.000 0.555 335 W N 5.195 126.096 121.300 -0.664 0.000 2.481 335 W HA 0.341 5.001 4.660 -0.000 0.000 0.320 335 W C -0.024 176.593 176.519 0.162 0.000 1.209 335 W CA -0.221 57.006 57.345 -0.196 0.000 1.400 335 W CB 0.075 29.418 29.460 -0.195 0.000 1.361 335 W HN -0.107 nan 8.180 nan 0.000 0.456 336 M N 2.429 122.209 119.600 0.300 0.000 2.578 336 M HA 0.287 4.766 4.480 -0.000 0.000 0.321 336 M C 0.362 176.764 176.300 0.169 0.000 1.182 336 M CA -0.582 54.895 55.300 0.294 0.000 0.965 336 M CB 1.976 34.700 32.600 0.207 0.000 1.694 336 M HN 0.327 nan 8.290 nan 0.000 0.461 337 N N 1.050 119.823 118.700 0.121 0.000 2.636 337 N HA 0.276 5.016 4.740 -0.000 0.000 0.268 337 N C -0.399 175.172 175.510 0.102 0.000 1.372 337 N CA -0.076 53.021 53.050 0.080 0.000 0.852 337 N CB 0.514 39.003 38.487 0.004 0.000 1.335 337 N HN 0.442 nan 8.380 nan 0.000 0.386 338 K N 0.546 121.007 120.400 0.102 0.000 3.129 338 K HA 0.383 4.703 4.320 -0.000 0.000 0.241 338 K C -0.503 175.971 176.600 -0.209 0.000 1.239 338 K CA -0.061 56.182 56.287 -0.073 0.000 1.239 338 K CB -0.887 31.362 32.500 -0.418 0.000 1.347 338 K HN 0.547 nan 8.250 nan 0.000 0.435 339 c N -1.481 117.040 118.600 -0.132 0.000 3.148 339 c HA -0.209 4.361 4.570 -0.000 0.000 0.176 339 c C -0.552 173.459 174.090 -0.133 0.000 1.308 339 c CA 0.601 56.790 56.329 -0.232 0.000 1.247 339 c CB -1.734 40.468 42.510 -0.514 0.000 3.219 339 c HN 0.913 nan 8.230 nan 0.000 0.955 340 H N -1.222 117.831 119.070 -0.028 0.000 2.984 340 H HA 0.641 5.196 4.556 -0.000 0.000 0.298 340 H C -0.545 174.910 175.328 0.211 0.000 1.378 340 H CA 0.056 56.145 56.048 0.068 0.000 1.241 340 H CB 0.721 30.578 29.762 0.159 0.000 1.894 340 H HN 1.476 nan 8.280 nan 0.000 0.511 341 A N 0.591 123.748 122.820 0.562 0.000 2.545 341 A HA 0.666 4.986 4.320 -0.000 0.000 0.263 341 A C 0.588 178.384 177.584 0.354 0.000 1.202 341 A CA 0.333 52.678 52.037 0.514 0.000 0.959 341 A CB -0.128 19.047 19.000 0.291 0.000 1.124 341 A HN 1.261 nan 8.150 nan 0.000 0.543 342 G N -0.710 108.382 108.800 0.487 0.000 2.704 342 G HA2 0.500 4.460 3.960 -0.000 0.000 0.280 342 G HA3 0.500 4.460 3.960 -0.000 0.000 0.280 342 G C -1.426 173.392 174.900 -0.136 0.000 1.499 342 G CA -0.202 45.011 45.100 0.188 0.000 1.146 342 G HN 0.326 nan 8.290 nan 0.000 0.558 343 H N 3.835 122.574 119.070 -0.552 0.000 2.716 343 H HA 0.270 4.825 4.556 -0.000 0.000 0.260 343 H C 0.161 174.977 175.328 -0.852 0.000 1.280 343 H CA -0.665 54.707 56.048 -1.128 0.000 1.506 343 H CB 1.031 30.160 29.762 -1.056 0.000 1.514 343 H HN 0.315 nan 8.280 nan 0.000 0.502 344 L N 3.414 124.003 121.223 -1.056 0.000 2.783 344 L HA 0.159 4.499 4.340 -0.000 0.000 0.236 344 L C 0.235 176.862 176.870 -0.404 0.000 1.225 344 L CA 0.210 54.791 54.840 -0.432 0.000 1.026 344 L CB -0.087 42.006 42.059 0.056 0.000 1.314 344 L HN 0.542 nan 8.230 nan 0.000 0.489 345 N N -0.240 118.109 118.700 -0.585 0.000 2.167 345 N HA 0.112 4.852 4.740 -0.000 0.000 0.234 345 N C 0.584 175.771 175.510 -0.538 0.000 1.312 345 N CA -0.033 52.760 53.050 -0.429 0.000 0.861 345 N CB 1.154 39.681 38.487 0.067 0.000 1.217 345 N HN 0.141 nan 8.380 nan 0.000 0.504 346 G N 0.143 108.417 108.800 -0.876 0.000 2.569 346 G HA2 0.310 4.270 3.960 -0.000 0.000 0.249 346 G HA3 0.310 4.270 3.960 -0.000 0.000 0.249 346 G C 0.280 174.962 174.900 -0.364 0.000 1.216 346 G CA -0.214 44.398 45.100 -0.812 0.000 0.845 346 G HN -0.011 nan 8.290 nan 0.000 0.568 347 V N 1.071 120.863 119.914 -0.203 0.000 2.720 347 V HA -0.088 4.032 4.120 -0.000 0.000 0.307 347 V C 0.240 176.134 176.094 -0.334 0.000 1.071 347 V CA 0.251 62.417 62.300 -0.223 0.000 1.199 347 V CB 0.240 31.887 31.823 -0.294 0.000 0.900 347 V HN 0.563 nan 8.190 nan 0.000 0.494 348 Y N 5.807 125.892 120.300 -0.359 0.000 2.442 348 Y HA 0.310 4.859 4.550 -0.000 0.000 0.330 348 Y C -0.385 175.247 175.900 -0.446 0.000 1.129 348 Y CA -0.056 57.879 58.100 -0.274 0.000 1.365 348 Y CB 0.400 38.778 38.460 -0.137 0.000 1.233 348 Y HN 0.559 nan 8.280 nan 0.000 0.529 349 Y N 4.366 124.385 120.300 -0.469 0.000 2.341 349 Y HA 0.258 4.808 4.550 -0.000 0.000 0.338 349 Y C -0.026 175.757 175.900 -0.195 0.000 0.965 349 Y CA -0.982 56.954 58.100 -0.273 0.000 1.108 349 Y CB 1.437 39.654 38.460 -0.405 0.000 1.180 349 Y HN 0.549 nan 8.280 nan 0.000 0.458 350 Q N 1.276 121.119 119.800 0.071 0.000 2.392 350 Q HA 0.391 4.731 4.340 -0.000 0.000 0.262 350 Q C 1.268 176.942 176.000 -0.543 0.000 1.003 350 Q CA 1.461 57.241 55.803 -0.038 0.000 0.888 350 Q CB 0.746 29.501 28.738 0.028 0.000 1.260 350 Q HN 0.944 nan 8.270 nan 0.000 0.435 351 G N 1.834 109.672 108.800 -1.603 0.000 2.322 351 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.264 351 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.264 351 G C 0.980 175.077 174.900 -1.338 0.000 0.992 351 G CA 0.865 45.035 45.100 -1.550 0.000 0.624 351 G HN 1.818 nan 8.290 nan 0.000 0.543 352 G N -1.289 107.072 108.800 -0.732 0.000 3.444 352 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.222 352 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.222 352 G C 1.190 176.176 174.900 0.143 0.000 1.358 352 G CA 1.663 46.639 45.100 -0.208 0.000 0.880 352 G HN 2.372 nan 8.290 nan 0.000 0.555 353 T N 1.342 116.090 114.554 0.323 0.000 3.058 353 T HA 0.453 4.802 4.350 -0.000 0.000 0.249 353 T C 0.209 175.034 174.700 0.208 0.000 0.949 353 T CA 0.457 62.759 62.100 0.336 0.000 1.204 353 T CB -0.527 68.410 68.868 0.116 0.000 0.963 353 T HN 1.363 nan 8.240 nan 0.000 0.634 354 Y N 1.248 121.529 120.300 -0.030 0.000 2.488 354 Y HA 0.769 5.318 4.550 -0.000 0.000 0.325 354 Y C 0.017 175.874 175.900 -0.071 0.000 1.204 354 Y CA -2.316 55.700 58.100 -0.141 0.000 1.229 354 Y CB 0.869 38.976 38.460 -0.590 0.000 1.274 354 Y HN 0.565 nan 8.280 nan 0.000 0.493 355 S N 1.322 116.890 115.700 -0.220 0.000 2.648 355 S HA 0.314 4.784 4.470 -0.000 0.000 0.305 355 S C 0.683 175.070 174.600 -0.355 0.000 1.094 355 S CA -1.016 56.925 58.200 -0.432 0.000 0.983 355 S CB 1.882 64.886 63.200 -0.326 0.000 1.101 355 S HN 0.868 nan 8.310 nan 0.000 0.514 356 K N 0.367 120.461 120.400 -0.509 0.000 2.442 356 K HA -0.152 4.168 4.320 -0.000 0.000 0.200 356 K C 1.730 178.273 176.600 -0.095 0.000 1.045 356 K CA 1.208 57.396 56.287 -0.165 0.000 0.937 356 K CB -0.937 31.423 32.500 -0.233 0.000 0.757 356 K HN 0.724 nan 8.250 nan 0.000 0.474 357 A N 0.974 123.716 122.820 -0.129 0.000 1.829 357 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 357 A C 2.242 179.842 177.584 0.027 0.000 1.207 357 A CA 2.282 54.284 52.037 -0.059 0.000 0.622 357 A CB -1.049 17.910 19.000 -0.067 0.000 0.846 357 A HN 0.426 nan 8.150 nan 0.000 0.447 358 S N 0.098 115.852 115.700 0.089 0.000 2.392 358 S HA -0.123 4.347 4.470 -0.000 0.000 0.232 358 S C 1.281 176.014 174.600 0.222 0.000 1.041 358 S CA 1.254 59.567 58.200 0.189 0.000 1.026 358 S CB -1.279 62.126 63.200 0.342 0.000 0.845 358 S HN 0.957 nan 8.310 nan 0.000 0.465 359 T N 1.412 116.104 114.554 0.229 0.000 2.849 359 T HA 0.045 4.395 4.350 -0.000 0.000 0.289 359 T C -1.756 173.035 174.700 0.153 0.000 1.010 359 T CA -1.002 61.242 62.100 0.241 0.000 1.161 359 T CB 0.425 69.419 68.868 0.210 0.000 0.989 359 T HN 0.029 nan 8.240 nan 0.000 0.523 360 P HA -0.019 nan 4.420 nan 0.000 0.214 360 P C 0.853 178.206 177.300 0.087 0.000 1.162 360 P CA 1.018 64.184 63.100 0.111 0.000 0.879 360 P CB 0.056 31.828 31.700 0.119 0.000 0.786 361 N N -2.413 116.360 118.700 0.121 0.000 2.230 361 N HA 0.253 4.992 4.740 -0.000 0.000 0.202 361 N C 0.919 176.377 175.510 -0.086 0.000 1.119 361 N CA 0.743 53.851 53.050 0.097 0.000 0.851 361 N CB 0.083 38.729 38.487 0.264 0.000 0.990 361 N HN 0.095 nan 8.380 nan 0.000 0.497 362 G N -0.319 108.442 108.800 -0.064 0.000 2.143 362 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.249 362 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.249 362 G C -0.684 174.069 174.900 -0.244 0.000 0.981 362 G CA -0.032 44.955 45.100 -0.188 0.000 0.665 362 G HN 0.322 nan 8.290 nan 0.000 0.528 363 Y N 1.434 121.781 120.300 0.079 0.000 2.364 363 Y HA 0.421 4.971 4.550 -0.000 0.000 0.340 363 Y C 0.462 176.412 175.900 0.083 0.000 0.975 363 Y CA -1.385 56.733 58.100 0.031 0.000 1.089 363 Y CB 1.150 39.597 38.460 -0.021 0.000 1.192 363 Y HN 0.271 nan 8.280 nan 0.000 0.454 364 D N 1.586 122.069 120.400 0.139 0.000 2.502 364 D HA -0.117 4.523 4.640 -0.000 0.000 0.249 364 D C -0.098 176.401 176.300 0.333 0.000 1.188 364 D CA 0.327 54.387 54.000 0.100 0.000 0.890 364 D CB 0.171 40.762 40.800 -0.348 0.000 1.140 364 D HN 0.933 nan 8.370 nan 0.000 0.505 365 N N 1.204 120.187 118.700 0.471 0.000 2.299 365 N HA 0.216 4.956 4.740 -0.000 0.000 0.246 365 N C 0.629 176.321 175.510 0.303 0.000 1.254 365 N CA -0.945 52.395 53.050 0.483 0.000 0.879 365 N CB 0.809 39.541 38.487 0.408 0.000 1.214 365 N HN 0.358 nan 8.380 nan 0.000 0.510 366 G N 0.652 109.566 108.800 0.190 0.000 2.588 366 G HA2 0.340 4.300 3.960 -0.000 0.000 0.278 366 G HA3 0.340 4.300 3.960 -0.000 0.000 0.278 366 G C 0.104 174.897 174.900 -0.178 0.000 1.307 366 G CA -0.832 44.190 45.100 -0.129 0.000 1.016 366 G HN 0.293 nan 8.290 nan 0.000 0.503 367 I N 1.548 121.976 120.570 -0.237 0.000 2.268 367 I HA 0.141 4.311 4.170 -0.000 0.000 0.298 367 I C 0.449 176.489 176.117 -0.128 0.000 1.185 367 I CA 0.181 61.316 61.300 -0.275 0.000 1.548 367 I CB -0.976 36.850 38.000 -0.290 0.000 1.492 367 I HN 0.251 nan 8.210 nan 0.000 0.711 368 I N 0.681 121.223 120.570 -0.047 0.000 2.783 368 I HA 0.500 4.670 4.170 -0.000 0.000 0.312 368 I C -0.586 175.663 176.117 0.221 0.000 0.988 368 I CA -0.580 60.782 61.300 0.103 0.000 1.182 368 I CB 2.211 40.299 38.000 0.147 0.000 1.368 368 I HN 0.495 nan 8.210 nan 0.000 0.511 369 W N 3.877 125.226 121.300 0.082 0.000 2.362 369 W HA 0.436 5.096 4.660 -0.000 0.000 0.286 369 W C 0.253 176.859 176.519 0.145 0.000 1.036 369 W CA -0.347 57.058 57.345 0.099 0.000 1.236 369 W CB 1.693 31.210 29.460 0.095 0.000 1.142 369 W HN 0.931 nan 8.180 nan 0.000 0.317 370 A N 2.197 124.974 122.820 -0.071 0.000 1.896 370 A HA -0.335 3.985 4.320 -0.000 0.000 0.220 370 A C 1.902 179.251 177.584 -0.391 0.000 1.206 370 A CA 3.191 55.187 52.037 -0.069 0.000 0.647 370 A CB -1.281 17.781 19.000 0.104 0.000 0.828 370 A HN 0.725 nan 8.150 nan 0.000 0.455 371 T N -5.867 108.320 114.554 -0.611 0.000 3.309 371 T HA -0.104 4.245 4.350 -0.000 0.000 0.265 371 T C 0.780 175.456 174.700 -0.040 0.000 1.194 371 T CA 1.457 63.249 62.100 -0.513 0.000 1.037 371 T CB -0.322 68.276 68.868 -0.450 0.000 0.917 371 T HN 0.750 nan 8.240 nan 0.000 0.558 372 W N 0.484 121.731 121.300 -0.087 0.000 3.377 372 W HA 0.426 5.086 4.660 -0.000 0.000 0.207 372 W C -0.468 176.108 176.519 0.095 0.000 1.070 372 W CA -0.326 57.058 57.345 0.065 0.000 1.436 372 W CB 0.919 30.508 29.460 0.216 0.000 0.721 372 W HN -0.159 nan 8.180 nan 0.000 0.816 373 K N 0.158 120.576 120.400 0.029 0.000 2.495 373 K HA 0.329 4.649 4.320 -0.000 0.000 0.268 373 K C 0.301 176.963 176.600 0.103 0.000 1.008 373 K CA 0.046 56.291 56.287 -0.069 0.000 0.882 373 K CB 0.872 33.356 32.500 -0.026 0.000 1.443 373 K HN -0.109 nan 8.250 nan 0.000 0.447 374 T N -1.525 113.091 114.554 0.103 0.000 2.576 374 T HA -0.073 4.277 4.350 -0.000 0.000 0.351 374 T C 1.094 175.904 174.700 0.183 0.000 1.066 374 T CA 0.469 62.678 62.100 0.181 0.000 1.046 374 T CB 0.464 69.444 68.868 0.187 0.000 0.999 374 T HN 0.720 nan 8.240 nan 0.000 0.544 375 R N -0.689 119.820 120.500 0.016 0.000 2.317 375 R HA 0.112 4.451 4.340 -0.000 0.000 0.208 375 R C 0.024 176.007 176.300 -0.527 0.000 0.914 375 R CA -0.197 55.718 56.100 -0.310 0.000 1.060 375 R CB 0.321 30.109 30.300 -0.853 0.000 1.015 375 R HN 0.761 nan 8.270 nan 0.000 0.498 376 W N 0.875 122.147 121.300 -0.046 0.000 1.817 376 W HA 0.247 4.907 4.660 -0.000 0.000 0.289 376 W C -1.370 175.208 176.519 0.098 0.000 0.841 376 W CA -0.727 56.413 57.345 -0.341 0.000 2.216 376 W CB 0.291 29.465 29.460 -0.476 0.000 2.396 376 W HN -0.008 nan 8.180 nan 0.000 0.421 377 Y N 0.991 121.501 120.300 0.351 0.000 2.283 377 Y HA 0.211 4.761 4.550 -0.000 0.000 0.329 377 Y C -0.217 175.814 175.900 0.218 0.000 1.181 377 Y CA -0.883 57.378 58.100 0.268 0.000 1.283 377 Y CB 0.273 38.805 38.460 0.120 0.000 1.186 377 Y HN -0.087 nan 8.280 nan 0.000 0.436 378 S N 4.952 120.579 115.700 -0.121 0.000 2.624 378 S HA 0.692 5.162 4.470 -0.000 0.000 0.263 378 S C -0.081 174.267 174.600 -0.419 0.000 1.287 378 S CA -0.493 57.553 58.200 -0.257 0.000 0.990 378 S CB 0.364 63.398 63.200 -0.277 0.000 0.950 378 S HN 0.560 nan 8.310 nan 0.000 0.561 379 M N 2.365 121.787 119.600 -0.298 0.000 2.528 379 M HA 0.399 4.879 4.480 -0.000 0.000 0.318 379 M C 1.043 177.164 176.300 -0.298 0.000 1.195 379 M CA -0.440 54.707 55.300 -0.256 0.000 1.000 379 M CB 1.076 33.609 32.600 -0.112 0.000 1.615 379 M HN 0.866 nan 8.290 nan 0.000 0.469 380 K N 0.956 121.099 120.400 -0.429 0.000 2.186 380 K HA 0.064 4.383 4.320 -0.000 0.000 0.202 380 K C -0.221 176.229 176.600 -0.251 0.000 1.052 380 K CA 1.204 57.082 56.287 -0.683 0.000 0.965 380 K CB 0.626 32.245 32.500 -1.468 0.000 0.746 380 K HN 0.500 nan 8.250 nan 0.000 0.457 381 K N 0.839 121.122 120.400 -0.194 0.000 2.553 381 K HA 0.115 4.435 4.320 -0.000 0.000 0.250 381 K C -1.523 175.008 176.600 -0.114 0.000 0.953 381 K CA -0.516 55.702 56.287 -0.116 0.000 0.800 381 K CB 2.174 34.596 32.500 -0.130 0.000 1.243 381 K HN 0.079 nan 8.250 nan 0.000 0.435 382 T N -0.862 113.627 114.554 -0.109 0.000 2.841 382 T HA 0.466 4.816 4.350 -0.000 0.000 0.285 382 T C -0.447 174.170 174.700 -0.139 0.000 0.991 382 T CA -0.668 61.349 62.100 -0.139 0.000 0.966 382 T CB 1.445 70.232 68.868 -0.135 0.000 0.962 382 T HN 0.505 nan 8.240 nan 0.000 0.438 383 T N 2.636 117.093 114.554 -0.162 0.000 2.985 383 T HA 0.526 4.876 4.350 -0.000 0.000 0.315 383 T C -0.235 174.383 174.700 -0.136 0.000 1.001 383 T CA -0.858 61.156 62.100 -0.143 0.000 1.016 383 T CB 0.391 69.186 68.868 -0.121 0.000 0.993 383 T HN 0.721 nan 8.240 nan 0.000 0.454 384 M N 4.995 124.548 119.600 -0.078 0.000 2.094 384 M HA 0.365 4.845 4.480 -0.000 0.000 0.348 384 M C -0.056 176.447 176.300 0.338 0.000 1.267 384 M CA -0.487 54.870 55.300 0.094 0.000 1.125 384 M CB 0.789 33.480 32.600 0.152 0.000 1.527 384 M HN 0.632 nan 8.290 nan 0.000 0.447 385 K N 4.849 125.307 120.400 0.097 0.000 2.502 385 K HA 0.642 4.962 4.320 -0.000 0.000 0.254 385 K C -0.533 176.148 176.600 0.136 0.000 0.947 385 K CA -0.752 55.600 56.287 0.108 0.000 0.834 385 K CB 1.567 34.053 32.500 -0.023 0.000 1.112 385 K HN 0.752 nan 8.250 nan 0.000 0.427 386 I N 0.612 121.216 120.570 0.057 0.000 3.468 386 I HA 0.605 4.775 4.170 -0.000 0.000 0.276 386 I C -0.047 176.305 176.117 0.391 0.000 1.182 386 I CA -1.040 60.342 61.300 0.136 0.000 0.881 386 I CB 0.636 38.566 38.000 -0.118 0.000 1.609 386 I HN 0.851 nan 8.210 nan 0.000 0.780 387 I N -0.289 120.479 120.570 0.331 0.000 2.624 387 I HA 0.242 4.412 4.170 -0.000 0.000 0.296 387 I C -2.953 173.266 176.117 0.170 0.000 1.792 387 I CA -1.386 59.989 61.300 0.125 0.000 0.970 387 I CB 2.435 40.073 38.000 -0.604 0.000 1.502 387 I HN 0.381 nan 8.210 nan 0.000 0.549 388 P HA 0.118 nan 4.420 nan 0.000 0.270 388 P C 0.252 177.460 177.300 -0.154 0.000 1.242 388 P CA 0.049 62.834 63.100 -0.525 0.000 0.768 388 P CB 0.145 31.514 31.700 -0.553 0.000 0.820 389 F N 5.573 125.388 119.950 -0.226 0.000 2.451 389 F HA -0.323 4.204 4.527 -0.000 0.000 0.311 389 F C 1.313 177.019 175.800 -0.156 0.000 1.385 389 F CA 1.987 59.904 58.000 -0.137 0.000 1.281 389 F CB -1.403 37.546 39.000 -0.085 0.000 0.869 389 F HN 0.555 nan 8.300 nan 0.000 0.620 390 N N 2.095 120.663 118.700 -0.220 0.000 2.832 390 N HA -0.297 4.443 4.740 -0.000 0.000 0.275 390 N C 0.050 175.441 175.510 -0.197 0.000 0.975 390 N CA 1.135 53.984 53.050 -0.335 0.000 0.872 390 N CB -0.903 37.438 38.487 -0.244 0.000 0.922 390 N HN 0.718 nan 8.380 nan 0.000 0.587 391 R N 0.000 120.426 120.500 -0.123 0.000 2.786 391 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 391 R CA 0.000 56.048 56.100 -0.087 0.000 0.921 391 R CB 0.000 30.210 30.300 -0.149 0.000 0.687 391 R HN 0.000 nan 8.270 nan 0.000 0.535