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 2quh_1_A DATA FIRST_RESID 97 DATA SEQUENCE GIDYDKLIVR FGSSKIDKEL INRIERATGQ RPHHFLRRGI FFSHRDMNQV DATA SEQUENCE LDAYENKKPF YLYTGRGPSS EAMHVGHLIP FIFTKWLQDV FNVPLVIQMT DATA SEQUENCE DDEKYLWKDL TLDQAYSYAV ENAKDIIACG FDINKTFIFS DLDYMGMSSG DATA SEQUENCE FYKNVVKIQK HVTFNQVKGI FGFTDSDCIG KISFPAIQAA PSFSNSFPQI DATA SEQUENCE FRDRTDIQCL IPCAIDQDPY FRMTRDVAPR IGYPKPALLH STFFPALQGA DATA SEQUENCE QTKMSASDPN SSIFLTDTAK QIKTKVNKHA FSGGRDTIEE HRQFGGNCDV DATA SEQUENCE DVSFMYLTFF LEDDDKLEQI RKDYTSGAML TGELKKALIE VLQPLIAEHQ DATA SEQUENCE ARRKEVTDEI VKEFMTPRKL SFDFQHHHH 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 97 G HA2 0.000 nan 3.960 nan 0.000 0.244 97 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 97 G C 0.000 174.789 174.900 -0.185 0.000 0.946 97 G CA 0.000 45.037 45.100 -0.104 0.000 0.502 98 I N 0.988 121.373 120.570 -0.308 0.000 2.460 98 I HA 0.580 4.750 4.170 -0.000 0.000 0.298 98 I C -1.056 174.695 176.117 -0.610 0.000 0.989 98 I CA -0.582 60.437 61.300 -0.468 0.000 1.173 98 I CB 1.913 39.574 38.000 -0.566 0.000 1.338 98 I HN 0.442 nan 8.210 nan 0.000 0.456 99 D N 5.625 125.783 120.400 -0.403 0.000 2.359 99 D HA 0.055 4.695 4.640 -0.000 0.000 0.250 99 D C 0.121 176.214 176.300 -0.345 0.000 1.264 99 D CA 0.301 54.127 54.000 -0.290 0.000 0.911 99 D CB 0.223 40.926 40.800 -0.162 0.000 1.056 99 D HN 0.461 nan 8.370 nan 0.000 0.499 100 Y N 1.645 121.812 120.300 -0.221 0.000 2.616 100 Y HA -0.017 4.533 4.550 -0.000 0.000 0.296 100 Y C 1.738 177.583 175.900 -0.091 0.000 1.154 100 Y CA 0.185 58.108 58.100 -0.295 0.000 1.325 100 Y CB 0.235 38.194 38.460 -0.835 0.000 1.007 100 Y HN 0.432 nan 8.280 nan 0.000 0.542 101 D N 0.262 120.691 120.400 0.049 0.000 2.162 101 D HA -0.099 4.541 4.640 -0.000 0.000 0.203 101 D C 2.309 178.628 176.300 0.032 0.000 0.967 101 D CA 1.400 55.442 54.000 0.070 0.000 0.840 101 D CB 0.081 40.906 40.800 0.041 0.000 0.972 101 D HN 0.406 nan 8.370 nan 0.000 0.482 102 K N 1.013 121.399 120.400 -0.023 0.000 2.288 102 K HA 0.031 4.351 4.320 -0.000 0.000 0.201 102 K C 2.050 178.611 176.600 -0.065 0.000 1.048 102 K CA 0.233 56.495 56.287 -0.041 0.000 0.956 102 K CB -0.805 31.654 32.500 -0.068 0.000 0.746 102 K HN 0.145 nan 8.250 nan 0.000 0.461 103 L N -0.222 120.944 121.223 -0.095 0.000 2.095 103 L HA 0.037 4.377 4.340 -0.000 0.000 0.204 103 L C 2.481 179.275 176.870 -0.127 0.000 1.080 103 L CA 0.909 55.619 54.840 -0.216 0.000 0.759 103 L CB -0.086 41.835 42.059 -0.230 0.000 0.914 103 L HN 0.349 nan 8.230 nan 0.000 0.439 104 I N -1.163 119.439 120.570 0.053 0.000 2.264 104 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 104 I C 2.502 178.671 176.117 0.085 0.000 1.111 104 I CA 1.280 62.643 61.300 0.105 0.000 1.382 104 I CB -0.224 37.866 38.000 0.151 0.000 1.060 104 I HN 0.168 nan 8.210 nan 0.000 0.418 105 V N 1.197 121.146 119.914 0.057 0.000 2.323 105 V HA -0.296 3.824 4.120 -0.000 0.000 0.244 105 V C 3.093 179.230 176.094 0.072 0.000 1.041 105 V CA 2.478 64.809 62.300 0.052 0.000 1.025 105 V CB -0.552 31.289 31.823 0.031 0.000 0.656 105 V HN 0.454 nan 8.190 nan 0.000 0.451 106 R N -0.725 119.815 120.500 0.067 0.000 2.080 106 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 106 R C 2.008 178.465 176.300 0.262 0.000 1.137 106 R CA 2.324 58.496 56.100 0.119 0.000 0.943 106 R CB -1.782 28.566 30.300 0.081 0.000 0.846 106 R HN 0.620 nan 8.270 nan 0.000 0.431 107 F N 0.322 120.260 119.950 -0.020 0.000 2.546 107 F HA 0.254 4.781 4.527 -0.000 0.000 0.298 107 F C 2.141 177.925 175.800 -0.027 0.000 1.120 107 F CA 0.622 58.599 58.000 -0.038 0.000 1.456 107 F CB -0.614 38.349 39.000 -0.063 0.000 1.088 107 F HN 0.522 nan 8.300 nan 0.000 0.572 108 G N 0.363 109.260 108.800 0.162 0.000 2.179 108 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 108 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 108 G C 0.627 175.561 174.900 0.056 0.000 1.010 108 G CA 0.554 45.700 45.100 0.078 0.000 0.736 108 G HN 0.611 nan 8.290 nan 0.000 0.513 109 S N -1.175 114.576 115.700 0.084 0.000 2.666 109 S HA 0.834 5.304 4.470 -0.000 0.000 0.279 109 S C 0.332 174.898 174.600 -0.057 0.000 1.149 109 S CA 0.297 58.512 58.200 0.026 0.000 1.020 109 S CB 1.789 65.063 63.200 0.125 0.000 1.127 109 S HN 0.794 nan 8.310 nan 0.000 0.537 110 S N 0.231 115.804 115.700 -0.211 0.000 2.503 110 S HA 0.481 4.951 4.470 -0.000 0.000 0.301 110 S C -0.587 173.939 174.600 -0.124 0.000 1.087 110 S CA -0.867 57.195 58.200 -0.230 0.000 1.042 110 S CB 1.245 64.172 63.200 -0.454 0.000 1.043 110 S HN 0.739 nan 8.310 nan 0.000 0.489 111 K N 2.281 122.698 120.400 0.029 0.000 2.270 111 K HA 0.326 4.646 4.320 -0.000 0.000 0.276 111 K C -0.729 175.980 176.600 0.182 0.000 1.023 111 K CA -0.311 56.039 56.287 0.106 0.000 0.955 111 K CB 0.312 32.882 32.500 0.117 0.000 0.975 111 K HN 0.568 nan 8.250 nan 0.000 0.471 112 I N 5.470 126.147 120.570 0.177 0.000 2.363 112 I HA 0.009 4.179 4.170 -0.000 0.000 0.292 112 I C 0.092 176.272 176.117 0.105 0.000 1.075 112 I CA -0.358 61.032 61.300 0.150 0.000 1.333 112 I CB 0.350 38.414 38.000 0.107 0.000 1.415 112 I HN 0.783 nan 8.210 nan 0.000 0.502 113 D N 6.369 126.820 120.400 0.086 0.000 2.567 113 D HA 0.246 4.886 4.640 -0.000 0.000 0.275 113 D C 0.817 177.147 176.300 0.051 0.000 1.195 113 D CA -0.605 53.435 54.000 0.068 0.000 1.087 113 D CB 0.705 41.544 40.800 0.065 0.000 1.165 113 D HN -0.012 nan 8.370 nan 0.000 0.609 114 K N -0.320 120.107 120.400 0.045 0.000 2.103 114 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 114 K C 1.790 178.411 176.600 0.035 0.000 1.052 114 K CA 1.008 57.318 56.287 0.039 0.000 0.945 114 K CB -0.337 32.184 32.500 0.034 0.000 0.722 114 K HN 0.519 nan 8.250 nan 0.000 0.443 115 E N 0.585 120.805 120.200 0.034 0.000 2.033 115 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 115 E C 1.951 178.566 176.600 0.024 0.000 1.011 115 E CA 1.309 57.727 56.400 0.029 0.000 0.815 115 E CB -0.246 29.473 29.700 0.030 0.000 0.755 115 E HN 0.015 nan 8.360 nan 0.000 0.451 116 L N 1.187 122.418 121.223 0.013 0.000 2.043 116 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 116 L C 2.118 178.996 176.870 0.014 0.000 1.075 116 L CA 1.615 56.445 54.840 -0.016 0.000 0.752 116 L CB -0.277 41.738 42.059 -0.073 0.000 0.891 116 L HN 0.186 nan 8.230 nan 0.000 0.432 117 I N -0.783 119.808 120.570 0.035 0.000 2.315 117 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 117 I C 1.961 178.115 176.117 0.062 0.000 1.117 117 I CA 0.879 62.215 61.300 0.060 0.000 1.404 117 I CB -0.568 37.467 38.000 0.057 0.000 1.071 117 I HN 0.353 nan 8.210 nan 0.000 0.419 118 N N 0.981 119.709 118.700 0.047 0.000 2.188 118 N HA -0.164 4.576 4.740 -0.000 0.000 0.184 118 N C 1.903 177.440 175.510 0.045 0.000 1.018 118 N CA 1.031 54.107 53.050 0.044 0.000 0.858 118 N CB -0.368 38.140 38.487 0.035 0.000 0.989 118 N HN 0.320 nan 8.380 nan 0.000 0.426 119 R N 0.915 121.441 120.500 0.043 0.000 2.081 119 R HA 0.036 4.376 4.340 -0.000 0.000 0.235 119 R C 2.160 178.497 176.300 0.062 0.000 1.131 119 R CA 0.953 57.081 56.100 0.048 0.000 0.960 119 R CB -0.225 30.098 30.300 0.038 0.000 0.856 119 R HN 0.154 nan 8.270 nan 0.000 0.436 120 I N 0.547 121.163 120.570 0.075 0.000 2.286 120 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 120 I C 2.489 178.627 176.117 0.034 0.000 1.115 120 I CA 1.491 62.849 61.300 0.096 0.000 1.392 120 I CB -0.371 37.733 38.000 0.173 0.000 1.065 120 I HN 0.416 nan 8.210 nan 0.000 0.418 121 E N 1.326 121.562 120.200 0.059 0.000 2.031 121 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 121 E C 2.399 179.006 176.600 0.011 0.000 0.994 121 E CA 1.218 57.645 56.400 0.045 0.000 0.800 121 E CB 0.039 29.773 29.700 0.057 0.000 0.752 121 E HN 0.333 nan 8.360 nan 0.000 0.447 122 R N -0.131 120.384 120.500 0.025 0.000 2.091 122 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 122 R C 2.378 178.694 176.300 0.027 0.000 1.136 122 R CA 1.274 57.390 56.100 0.026 0.000 0.959 122 R CB -0.327 29.995 30.300 0.037 0.000 0.856 122 R HN 0.205 nan 8.270 nan 0.000 0.437 123 A N 0.223 123.066 122.820 0.038 0.000 2.067 123 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 123 A C 2.049 179.627 177.584 -0.009 0.000 1.158 123 A CA 1.792 53.884 52.037 0.092 0.000 0.661 123 A CB -0.361 18.754 19.000 0.191 0.000 0.801 123 A HN 0.517 nan 8.150 nan 0.000 0.452 124 T N -5.627 108.813 114.554 -0.189 0.000 2.990 124 T HA 0.400 4.750 4.350 -0.000 0.000 0.250 124 T C 1.465 176.066 174.700 -0.165 0.000 1.041 124 T CA 1.118 63.017 62.100 -0.335 0.000 1.010 124 T CB 0.100 68.590 68.868 -0.631 0.000 1.003 124 T HN 1.605 nan 8.240 nan 0.000 0.499 125 G N 1.349 110.102 108.800 -0.079 0.000 2.155 125 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.257 125 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.257 125 G C -0.135 174.747 174.900 -0.029 0.000 0.983 125 G CA 0.298 45.376 45.100 -0.037 0.000 0.676 125 G HN 0.671 nan 8.290 nan 0.000 0.528 126 Q N -0.981 118.799 119.800 -0.032 0.000 2.416 126 Q HA 0.482 4.822 4.340 -0.000 0.000 0.279 126 Q C 0.159 176.226 176.000 0.113 0.000 1.101 126 Q CA -1.010 54.815 55.803 0.036 0.000 0.830 126 Q CB 1.465 30.212 28.738 0.016 0.000 1.402 126 Q HN 0.394 nan 8.270 nan 0.000 0.445 127 R N 2.458 123.047 120.500 0.148 0.000 2.298 127 R HA 0.242 4.582 4.340 -0.000 0.000 0.310 127 R C -2.054 174.375 176.300 0.215 0.000 1.068 127 R CA -1.300 54.878 56.100 0.130 0.000 0.957 127 R CB 0.331 30.676 30.300 0.074 0.000 1.003 127 R HN 0.295 nan 8.270 nan 0.000 0.454 128 P HA -0.116 nan 4.420 nan 0.000 0.264 128 P C -0.587 176.591 177.300 -0.204 0.000 1.183 128 P CA 0.306 63.488 63.100 0.136 0.000 0.763 128 P CB 0.370 32.140 31.700 0.116 0.000 0.807 129 H N 4.130 122.609 119.070 -0.985 0.000 3.038 129 H HA -0.102 4.454 4.556 -0.000 0.000 0.338 129 H C 1.861 176.843 175.328 -0.577 0.000 1.041 129 H CA 0.615 55.960 56.048 -1.172 0.000 1.394 129 H CB 0.638 29.244 29.762 -1.927 0.000 1.357 129 H HN 0.591 nan 8.280 nan 0.000 0.600 130 H N 4.138 122.750 119.070 -0.763 0.000 2.457 130 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 130 H C 1.530 176.827 175.328 -0.051 0.000 1.092 130 H CA 1.001 56.832 56.048 -0.361 0.000 1.309 130 H CB -0.401 29.136 29.762 -0.376 0.000 1.382 130 H HN 0.393 nan 8.280 nan 0.000 0.535 131 F N 1.289 121.071 119.950 -0.280 0.000 2.161 131 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 131 F C 2.725 178.412 175.800 -0.189 0.000 1.089 131 F CA 0.366 58.226 58.000 -0.233 0.000 1.282 131 F CB -0.878 37.956 39.000 -0.277 0.000 1.010 131 F HN 0.131 nan 8.300 nan 0.000 0.485 132 L N -0.648 120.594 121.223 0.032 0.000 2.072 132 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 132 L C 2.587 179.469 176.870 0.021 0.000 1.079 132 L CA 1.047 55.905 54.840 0.030 0.000 0.752 132 L CB -0.449 41.644 42.059 0.058 0.000 0.906 132 L HN -0.015 nan 8.230 nan 0.000 0.436 133 R N 0.060 120.558 120.500 -0.002 0.000 2.115 133 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 133 R C 1.701 178.002 176.300 0.001 0.000 1.111 133 R CA 0.942 57.043 56.100 0.003 0.000 0.976 133 R CB -0.150 30.145 30.300 -0.008 0.000 0.870 133 R HN 0.359 nan 8.270 nan 0.000 0.445 134 R N -0.305 120.189 120.500 -0.010 0.000 2.427 134 R HA 0.151 4.491 4.340 -0.000 0.000 0.262 134 R C 0.673 176.920 176.300 -0.088 0.000 0.943 134 R CA 0.421 56.493 56.100 -0.046 0.000 1.081 134 R CB 0.912 31.169 30.300 -0.072 0.000 1.166 134 R HN 0.312 nan 8.270 nan 0.000 0.534 135 G N 1.351 110.118 108.800 -0.054 0.000 2.153 135 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.252 135 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.252 135 G C 0.733 175.534 174.900 -0.165 0.000 0.994 135 G CA 0.286 45.351 45.100 -0.057 0.000 0.698 135 G HN 0.364 nan 8.290 nan 0.000 0.521 136 I N -1.312 119.108 120.570 -0.249 0.000 2.286 136 I HA 0.131 4.301 4.170 -0.000 0.000 0.245 136 I C 0.940 176.822 176.117 -0.391 0.000 1.104 136 I CA 0.829 61.844 61.300 -0.475 0.000 1.397 136 I CB -0.017 37.534 38.000 -0.748 0.000 1.072 136 I HN 0.170 nan 8.210 nan 0.000 0.417 137 F N 1.270 121.045 119.950 -0.291 0.000 2.303 137 F HA 0.148 4.675 4.527 -0.000 0.000 0.368 137 F C 0.765 176.509 175.800 -0.093 0.000 1.105 137 F CA -0.766 57.070 58.000 -0.274 0.000 1.153 137 F CB 0.646 39.283 39.000 -0.604 0.000 1.362 137 F HN -0.039 nan 8.300 nan 0.000 0.511 138 F N 0.136 119.988 119.950 -0.164 0.000 2.622 138 F HA 0.345 4.872 4.527 -0.000 0.000 0.288 138 F C 0.691 176.512 175.800 0.034 0.000 1.120 138 F CA -0.230 57.720 58.000 -0.083 0.000 1.423 138 F CB -0.495 38.395 39.000 -0.185 0.000 1.127 138 F HN 0.205 nan 8.300 nan 0.000 0.588 139 S N 0.408 115.537 115.700 -0.953 0.000 2.638 139 S HA 0.651 5.121 4.470 -0.000 0.000 0.302 139 S C -1.050 173.427 174.600 -0.205 0.000 1.096 139 S CA -0.300 57.589 58.200 -0.519 0.000 0.953 139 S CB 0.988 63.753 63.200 -0.726 0.000 1.107 139 S HN 0.676 nan 8.310 nan 0.000 0.503 140 H N 0.731 119.678 119.070 -0.206 0.000 2.918 140 H HA 0.579 5.135 4.556 -0.000 0.000 0.303 140 H C -1.731 173.494 175.328 -0.172 0.000 1.380 140 H CA -1.060 54.821 56.048 -0.278 0.000 1.134 140 H CB 0.920 30.582 29.762 -0.168 0.000 1.842 140 H HN 0.715 nan 8.280 nan 0.000 0.533 141 R N 0.696 121.068 120.500 -0.212 0.000 2.512 141 R HA 0.195 4.535 4.340 -0.000 0.000 0.291 141 R C -1.294 175.027 176.300 0.034 0.000 1.097 141 R CA -0.627 55.373 56.100 -0.167 0.000 0.940 141 R CB 1.132 31.375 30.300 -0.095 0.000 1.198 141 R HN 0.739 nan 8.270 nan 0.000 0.429 142 D N 1.075 121.528 120.400 0.090 0.000 3.079 142 D HA -0.209 4.431 4.640 -0.000 0.000 0.214 142 D C 0.965 177.284 176.300 0.032 0.000 1.145 142 D CA 1.376 55.414 54.000 0.064 0.000 0.958 142 D CB -0.505 40.285 40.800 -0.017 0.000 1.117 142 D HN 0.533 nan 8.370 nan 0.000 0.416 143 M N 0.480 120.149 119.600 0.115 0.000 2.260 143 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 143 M C 1.471 177.656 176.300 -0.192 0.000 1.066 143 M CA 1.715 56.901 55.300 -0.189 0.000 1.082 143 M CB -0.228 32.095 32.600 -0.463 0.000 1.388 143 M HN 0.107 nan 8.290 nan 0.000 0.419 144 N N -0.377 118.264 118.700 -0.098 0.000 2.188 144 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 144 N C 1.554 177.032 175.510 -0.052 0.000 1.018 144 N CA 1.216 54.230 53.050 -0.059 0.000 0.858 144 N CB -0.233 38.254 38.487 0.000 0.000 0.989 144 N HN 0.480 nan 8.380 nan 0.000 0.426 145 Q N 0.856 120.625 119.800 -0.052 0.000 2.061 145 Q HA -0.057 4.283 4.340 -0.000 0.000 0.204 145 Q C 2.390 178.333 176.000 -0.096 0.000 0.984 145 Q CA 0.807 56.579 55.803 -0.051 0.000 0.846 145 Q CB -0.962 27.747 28.738 -0.048 0.000 0.902 145 Q HN 0.198 nan 8.270 nan 0.000 0.421 146 V N 1.436 121.228 119.914 -0.204 0.000 2.324 146 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 146 V C 2.474 178.424 176.094 -0.240 0.000 1.060 146 V CA 1.606 63.678 62.300 -0.380 0.000 1.042 146 V CB -0.709 30.686 31.823 -0.713 0.000 0.650 146 V HN 0.243 nan 8.190 nan 0.000 0.450 147 L N -0.506 120.633 121.223 -0.140 0.000 2.056 147 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 147 L C 2.453 179.381 176.870 0.097 0.000 1.078 147 L CA 1.494 56.352 54.840 0.030 0.000 0.749 147 L CB -0.788 41.288 42.059 0.029 0.000 0.901 147 L HN 0.329 nan 8.230 nan 0.000 0.433 148 D N 0.414 120.839 120.400 0.042 0.000 2.116 148 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 148 D C 2.189 178.537 176.300 0.081 0.000 0.998 148 D CA 1.687 55.720 54.000 0.055 0.000 0.836 148 D CB -0.016 40.803 40.800 0.031 0.000 0.951 148 D HN 0.343 nan 8.370 nan 0.000 0.449 149 A N 0.391 123.259 122.820 0.080 0.000 1.858 149 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 149 A C 2.240 179.939 177.584 0.193 0.000 1.190 149 A CA 1.412 53.519 52.037 0.118 0.000 0.617 149 A CB -1.229 17.838 19.000 0.112 0.000 0.827 149 A HN 0.288 nan 8.150 nan 0.000 0.443 150 Y N 0.744 121.127 120.300 0.138 0.000 2.165 150 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 150 Y C 2.328 178.319 175.900 0.152 0.000 1.155 150 Y CA 2.255 60.489 58.100 0.224 0.000 1.164 150 Y CB -0.278 38.393 38.460 0.352 0.000 0.978 150 Y HN 0.506 nan 8.280 nan 0.000 0.513 151 E N -0.528 119.785 120.200 0.189 0.000 2.106 151 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 151 E C 1.344 177.952 176.600 0.013 0.000 0.984 151 E CA 1.043 57.492 56.400 0.083 0.000 0.806 151 E CB -0.138 29.625 29.700 0.105 0.000 0.750 151 E HN 0.448 nan 8.360 nan 0.000 0.458 152 N N 0.649 119.368 118.700 0.031 0.000 2.434 152 N HA -0.032 4.708 4.740 -0.000 0.000 0.196 152 N C -0.371 175.137 175.510 -0.004 0.000 1.183 152 N CA 0.344 53.404 53.050 0.016 0.000 0.849 152 N CB 0.548 39.055 38.487 0.034 0.000 0.992 152 N HN 0.017 nan 8.380 nan 0.000 0.460 153 K N -0.343 120.028 120.400 -0.048 0.000 3.341 153 K HA -0.165 4.155 4.320 -0.000 0.000 0.305 153 K C -0.147 176.444 176.600 -0.014 0.000 1.270 153 K CA 0.838 57.074 56.287 -0.085 0.000 0.897 153 K CB -1.733 30.724 32.500 -0.073 0.000 1.264 153 K HN 0.394 nan 8.250 nan 0.000 0.468 154 K N 1.196 121.625 120.400 0.049 0.000 2.138 154 K HA 0.303 4.623 4.320 -0.000 0.000 0.251 154 K C -1.807 174.889 176.600 0.160 0.000 1.015 154 K CA -1.277 55.069 56.287 0.098 0.000 0.917 154 K CB 0.627 33.193 32.500 0.110 0.000 1.021 154 K HN -0.014 nan 8.250 nan 0.000 0.485 155 P HA 0.404 nan 4.420 nan 0.000 0.283 155 P C -1.102 176.398 177.300 0.333 0.000 1.278 155 P CA -0.472 62.776 63.100 0.246 0.000 0.834 155 P CB 0.722 32.615 31.700 0.321 0.000 1.150 156 F N -0.776 119.275 119.950 0.168 0.000 2.693 156 F HA 0.676 5.203 4.527 -0.000 0.000 0.309 156 F C -2.041 173.824 175.800 0.108 0.000 1.129 156 F CA -1.396 56.647 58.000 0.071 0.000 0.948 156 F CB 0.813 39.782 39.000 -0.051 0.000 1.315 156 F HN 0.450 nan 8.300 nan 0.000 0.447 157 Y N 1.087 121.462 120.300 0.125 0.000 2.634 157 Y HA 0.866 5.416 4.550 -0.000 0.000 0.340 157 Y C -1.907 174.060 175.900 0.110 0.000 1.058 157 Y CA -2.210 55.881 58.100 -0.014 0.000 1.081 157 Y CB 1.347 39.857 38.460 0.082 0.000 1.295 157 Y HN 0.784 nan 8.280 nan 0.000 0.487 158 L N 2.891 124.151 121.223 0.062 0.000 2.322 158 L HA 0.437 4.777 4.340 -0.000 0.000 0.279 158 L C -1.345 175.563 176.870 0.062 0.000 1.036 158 L CA -1.020 53.805 54.840 -0.026 0.000 0.807 158 L CB 1.523 43.578 42.059 -0.006 0.000 1.226 158 L HN 0.747 nan 8.230 nan 0.000 0.433 159 Y N 2.301 122.486 120.300 -0.192 0.000 2.354 159 Y HA 0.626 5.176 4.550 -0.000 0.000 0.330 159 Y C -0.752 175.060 175.900 -0.148 0.000 1.011 159 Y CA -0.844 57.185 58.100 -0.119 0.000 1.099 159 Y CB 1.919 40.302 38.460 -0.128 0.000 1.179 159 Y HN 0.580 nan 8.280 nan 0.000 0.442 160 T N 3.163 117.597 114.554 -0.199 0.000 2.787 160 T HA 0.902 5.252 4.350 -0.000 0.000 0.297 160 T C -0.907 173.709 174.700 -0.140 0.000 1.221 160 T CA -0.082 61.780 62.100 -0.397 0.000 1.006 160 T CB 1.616 70.271 68.868 -0.355 0.000 1.328 160 T HN 1.172 nan 8.240 nan 0.000 0.509 161 G N 0.587 109.313 108.800 -0.123 0.000 2.687 161 G HA2 0.655 4.615 3.960 -0.000 0.000 0.291 161 G HA3 0.655 4.615 3.960 -0.000 0.000 0.291 161 G C -1.950 173.030 174.900 0.133 0.000 1.420 161 G CA -0.796 44.335 45.100 0.051 0.000 0.796 161 G HN 0.700 nan 8.290 nan 0.000 0.485 162 R N -0.735 119.844 120.500 0.132 0.000 2.533 162 R HA 0.601 4.941 4.340 -0.000 0.000 0.288 162 R C -0.222 176.093 176.300 0.024 0.000 1.039 162 R CA -0.166 56.005 56.100 0.119 0.000 0.909 162 R CB 1.408 31.795 30.300 0.145 0.000 1.195 162 R HN 0.990 nan 8.270 nan 0.000 0.438 163 G N 4.439 113.234 108.800 -0.008 0.000 2.546 163 G HA2 0.331 4.291 3.960 -0.000 0.000 0.320 163 G HA3 0.331 4.291 3.960 -0.000 0.000 0.320 163 G C -2.194 172.682 174.900 -0.040 0.000 0.984 163 G CA -1.503 43.585 45.100 -0.020 0.000 1.183 163 G HN 0.515 nan 8.290 nan 0.000 0.443 164 P HA 0.076 nan 4.420 nan 0.000 0.235 164 P C 1.144 178.512 177.300 0.113 0.000 1.720 164 P CA 0.038 63.157 63.100 0.030 0.000 1.003 164 P CB 0.451 32.203 31.700 0.087 0.000 1.968 165 S N -1.428 114.289 115.700 0.028 0.000 2.402 165 S HA -0.037 4.433 4.470 -0.000 0.000 0.229 165 S C 1.014 175.632 174.600 0.030 0.000 1.021 165 S CA 0.884 59.128 58.200 0.074 0.000 0.974 165 S CB -0.061 63.155 63.200 0.027 0.000 0.800 165 S HN 0.474 nan 8.310 nan 0.000 0.484 166 S N -0.857 114.738 115.700 -0.175 0.000 2.656 166 S HA 0.352 4.822 4.470 -0.000 0.000 0.273 166 S C -0.154 174.110 174.600 -0.560 0.000 1.168 166 S CA -0.682 57.229 58.200 -0.482 0.000 0.817 166 S CB 1.471 64.554 63.200 -0.195 0.000 1.146 166 S HN 0.153 nan 8.310 nan 0.000 0.475 167 E N 0.433 120.249 120.200 -0.640 0.000 2.442 167 E HA 0.295 4.645 4.350 -0.000 0.000 0.195 167 E C 0.398 176.912 176.600 -0.144 0.000 1.030 167 E CA 0.268 56.455 56.400 -0.355 0.000 0.869 167 E CB 0.104 29.632 29.700 -0.288 0.000 0.857 167 E HN 0.619 nan 8.360 nan 0.000 0.505 168 A N 1.662 124.426 122.820 -0.092 0.000 2.415 168 A HA 0.357 4.677 4.320 -0.000 0.000 0.309 168 A C -0.233 177.499 177.584 0.246 0.000 1.356 168 A CA -0.201 51.903 52.037 0.111 0.000 0.998 168 A CB -0.041 19.013 19.000 0.090 0.000 1.145 168 A HN 0.182 nan 8.150 nan 0.000 0.545 169 M N 3.907 123.622 119.600 0.191 0.000 2.404 169 M HA 0.366 4.846 4.480 -0.000 0.000 0.338 169 M C 0.148 176.423 176.300 -0.042 0.000 1.150 169 M CA -0.395 54.986 55.300 0.136 0.000 1.016 169 M CB 1.479 34.105 32.600 0.044 0.000 1.672 169 M HN 0.914 nan 8.290 nan 0.000 0.448 170 H N -0.144 118.721 119.070 -0.340 0.000 2.737 170 H HA 0.385 4.941 4.556 -0.000 0.000 0.358 170 H C 0.459 175.425 175.328 -0.603 0.000 1.187 170 H CA -1.143 54.440 56.048 -0.775 0.000 1.221 170 H CB 1.314 30.240 29.762 -1.393 0.000 1.799 170 H HN 0.409 nan 8.280 nan 0.000 0.568 171 V N 1.693 121.411 119.914 -0.326 0.000 2.439 171 V HA -0.268 3.852 4.120 -0.000 0.000 0.253 171 V C 2.410 178.127 176.094 -0.629 0.000 1.074 171 V CA 2.587 64.646 62.300 -0.402 0.000 1.076 171 V CB -1.007 30.577 31.823 -0.398 0.000 0.664 171 V HN 1.033 nan 8.190 nan 0.000 0.461 172 G N -2.154 106.139 108.800 -0.845 0.000 2.448 172 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 172 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 172 G C 1.201 175.927 174.900 -0.290 0.000 1.135 172 G CA 0.786 45.233 45.100 -1.088 0.000 0.784 172 G HN 0.682 nan 8.290 nan 0.000 0.543 173 H N -0.392 118.632 119.070 -0.077 0.000 2.457 173 H HA 0.090 4.646 4.556 -0.000 0.000 0.294 173 H C 2.217 177.630 175.328 0.141 0.000 1.064 173 H CA 0.091 56.117 56.048 -0.038 0.000 1.330 173 H CB 0.220 29.865 29.762 -0.195 0.000 1.395 173 H HN 0.154 nan 8.280 nan 0.000 0.541 174 L N 0.489 121.825 121.223 0.188 0.000 2.313 174 L HA -0.123 4.217 4.340 -0.000 0.000 0.214 174 L C 2.040 179.141 176.870 0.385 0.000 1.119 174 L CA 0.660 55.685 54.840 0.310 0.000 0.809 174 L CB -0.654 41.518 42.059 0.188 0.000 0.933 174 L HN 0.362 nan 8.230 nan 0.000 0.449 175 I N 1.510 122.221 120.570 0.236 0.000 2.074 175 I HA -0.256 3.914 4.170 -0.000 0.000 0.238 175 I C 0.155 176.530 176.117 0.430 0.000 1.037 175 I CA 2.071 63.533 61.300 0.271 0.000 1.301 175 I CB -2.725 35.288 38.000 0.022 0.000 1.016 175 I HN 0.211 nan 8.210 nan 0.000 0.400 176 P HA -0.174 nan 4.420 nan 0.000 0.220 176 P C 1.969 179.377 177.300 0.181 0.000 1.148 176 P CA 1.667 64.955 63.100 0.312 0.000 0.803 176 P CB -0.192 31.537 31.700 0.049 0.000 0.782 177 F N -0.186 119.976 119.950 0.353 0.000 2.234 177 F HA 0.011 4.538 4.527 -0.000 0.000 0.296 177 F C 2.609 178.610 175.800 0.335 0.000 1.089 177 F CA 0.851 59.092 58.000 0.402 0.000 1.343 177 F CB -1.075 38.152 39.000 0.378 0.000 1.040 177 F HN -0.255 nan 8.300 nan 0.000 0.498 178 I N -1.110 119.744 120.570 0.475 0.000 2.163 178 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 178 I C 2.369 178.615 176.117 0.215 0.000 1.085 178 I CA 1.323 62.815 61.300 0.319 0.000 1.347 178 I CB -0.502 37.747 38.000 0.415 0.000 1.044 178 I HN 0.060 nan 8.210 nan 0.000 0.408 179 F N 1.716 121.715 119.950 0.082 0.000 2.113 179 F HA -0.208 4.319 4.527 -0.000 0.000 0.297 179 F C 2.609 178.388 175.800 -0.036 0.000 1.103 179 F CA 1.878 59.759 58.000 -0.198 0.000 1.248 179 F CB -0.797 38.039 39.000 -0.273 0.000 0.999 179 F HN -0.055 nan 8.300 nan 0.000 0.475 180 T N 0.660 115.257 114.554 0.071 0.000 2.788 180 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 180 T C 2.142 176.955 174.700 0.188 0.000 1.044 180 T CA 1.412 63.540 62.100 0.046 0.000 1.139 180 T CB -0.276 68.689 68.868 0.161 0.000 0.867 180 T HN 0.078 nan 8.240 nan 0.000 0.454 181 K N -0.091 120.456 120.400 0.245 0.000 2.097 181 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 181 K C 2.103 178.725 176.600 0.037 0.000 1.049 181 K CA 1.095 57.400 56.287 0.030 0.000 0.933 181 K CB -0.417 31.813 32.500 -0.449 0.000 0.717 181 K HN 0.502 nan 8.250 nan 0.000 0.442 182 W N 1.715 122.923 121.300 -0.154 0.000 2.379 182 W HA -0.137 4.523 4.660 -0.000 0.000 0.307 182 W C 1.836 178.259 176.519 -0.161 0.000 1.200 182 W CA 1.408 58.656 57.345 -0.160 0.000 1.297 182 W CB -0.489 28.824 29.460 -0.245 0.000 1.140 182 W HN -0.018 nan 8.180 nan 0.000 0.507 183 L N 0.377 121.458 121.223 -0.236 0.000 2.079 183 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 183 L C 2.721 179.521 176.870 -0.117 0.000 1.081 183 L CA 1.955 56.639 54.840 -0.259 0.000 0.752 183 L CB -1.048 40.851 42.059 -0.267 0.000 0.896 183 L HN 0.183 nan 8.230 nan 0.000 0.433 184 Q N -0.000 119.765 119.800 -0.058 0.000 2.046 184 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 184 Q C 1.739 177.722 176.000 -0.027 0.000 0.975 184 Q CA 1.798 57.612 55.803 0.018 0.000 0.836 184 Q CB 0.120 28.951 28.738 0.155 0.000 0.896 184 Q HN 0.466 nan 8.270 nan 0.000 0.428 185 D N -0.237 120.101 120.400 -0.104 0.000 2.084 185 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 185 D C 2.008 178.163 176.300 -0.243 0.000 0.990 185 D CA 1.078 54.997 54.000 -0.135 0.000 0.826 185 D CB -0.302 40.412 40.800 -0.145 0.000 0.971 185 D HN 0.121 nan 8.370 nan 0.000 0.453 186 V N 0.186 119.796 119.914 -0.507 0.000 2.343 186 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 186 V C 1.987 177.748 176.094 -0.555 0.000 1.051 186 V CA 1.488 63.376 62.300 -0.686 0.000 1.036 186 V CB -0.352 30.647 31.823 -1.372 0.000 0.654 186 V HN 0.100 nan 8.190 nan 0.000 0.451 187 F N -1.015 118.709 119.950 -0.376 0.000 2.656 187 F HA 0.260 4.787 4.527 0.000 0.000 0.291 187 F C 1.271 177.011 175.800 -0.099 0.000 1.122 187 F CA 0.653 58.447 58.000 -0.343 0.000 1.427 187 F CB -0.129 38.593 39.000 -0.463 0.000 1.125 187 F HN 0.237 nan 8.300 nan 0.000 0.583 188 N N 1.128 119.875 118.700 0.079 0.000 2.688 188 N HA -0.146 4.594 4.740 -0.000 0.000 0.261 188 N C -1.243 174.364 175.510 0.162 0.000 1.116 188 N CA 0.092 53.233 53.050 0.152 0.000 0.689 188 N CB -0.674 37.917 38.487 0.174 0.000 0.882 188 N HN 0.110 nan 8.380 nan 0.000 0.554 189 V N -1.047 118.849 119.914 -0.029 0.000 3.040 189 V HA 0.814 4.934 4.120 -0.000 0.000 0.312 189 V C -2.374 173.474 176.094 -0.410 0.000 1.115 189 V CA -1.736 60.318 62.300 -0.409 0.000 0.998 189 V CB 1.897 33.292 31.823 -0.713 0.000 1.042 189 V HN 0.081 nan 8.190 nan 0.000 0.433 190 P HA 0.388 nan 4.420 nan 0.000 0.271 190 P C -1.104 176.163 177.300 -0.055 0.000 1.218 190 P CA -0.070 62.810 63.100 -0.367 0.000 0.780 190 P CB 1.654 33.051 31.700 -0.504 0.000 0.901 191 L N 3.505 124.744 121.223 0.026 0.000 2.381 191 L HA 0.571 4.911 4.340 -0.000 0.000 0.268 191 L C -1.354 175.535 176.870 0.031 0.000 0.997 191 L CA -0.804 54.071 54.840 0.058 0.000 0.818 191 L CB 2.319 44.401 42.059 0.038 0.000 1.310 191 L HN 0.087 nan 8.230 nan 0.000 0.416 192 V N 6.191 126.141 119.914 0.061 0.000 2.444 192 V HA 0.533 4.653 4.120 -0.000 0.000 0.294 192 V C -0.389 175.777 176.094 0.120 0.000 1.022 192 V CA -0.280 62.027 62.300 0.011 0.000 0.850 192 V CB 1.739 33.413 31.823 -0.248 0.000 0.992 192 V HN 0.640 nan 8.190 nan 0.000 0.426 193 I N 4.917 125.484 120.570 -0.005 0.000 2.410 193 I HA 0.412 4.582 4.170 -0.000 0.000 0.286 193 I C -0.078 175.770 176.117 -0.448 0.000 1.009 193 I CA -0.357 60.892 61.300 -0.085 0.000 1.111 193 I CB 1.743 39.672 38.000 -0.119 0.000 1.262 193 I HN 0.580 nan 8.210 nan 0.000 0.443 194 Q N 7.045 126.626 119.800 -0.365 0.000 2.294 194 Q HA 0.362 4.702 4.340 -0.000 0.000 0.257 194 Q C -1.032 174.728 176.000 -0.399 0.000 0.955 194 Q CA -0.632 54.680 55.803 -0.819 0.000 0.936 194 Q CB 0.969 29.621 28.738 -0.143 0.000 1.188 194 Q HN 0.480 nan 8.270 nan 0.000 0.420 195 M N 3.983 123.296 119.600 -0.479 0.000 2.080 195 M HA 0.149 4.629 4.480 -0.000 0.000 0.350 195 M C -0.084 176.202 176.300 -0.023 0.000 1.143 195 M CA -0.344 54.850 55.300 -0.177 0.000 1.064 195 M CB 0.494 32.990 32.600 -0.172 0.000 1.429 195 M HN 0.575 nan 8.290 nan 0.000 0.418 196 T N -1.435 113.162 114.554 0.072 0.000 4.313 196 T HA 0.152 4.502 4.350 -0.000 0.000 0.272 196 T C 0.619 175.410 174.700 0.151 0.000 1.298 196 T CA -0.703 61.512 62.100 0.192 0.000 1.124 196 T CB -0.772 68.258 68.868 0.270 0.000 1.352 196 T HN 0.512 nan 8.240 nan 0.000 1.013 197 D N 1.832 122.331 120.400 0.166 0.000 2.144 197 D HA -0.209 4.431 4.640 -0.000 0.000 0.200 197 D C 1.606 178.027 176.300 0.201 0.000 0.978 197 D CA 1.229 55.331 54.000 0.169 0.000 0.833 197 D CB -0.254 40.661 40.800 0.192 0.000 0.961 197 D HN 0.598 nan 8.370 nan 0.000 0.470 198 D N 1.117 121.659 120.400 0.236 0.000 2.144 198 D HA -0.260 4.380 4.640 -0.000 0.000 0.199 198 D C 1.857 178.281 176.300 0.208 0.000 0.984 198 D CA 1.370 55.527 54.000 0.261 0.000 0.834 198 D CB -0.736 40.255 40.800 0.318 0.000 0.955 198 D HN 0.544 nan 8.370 nan 0.000 0.465 199 E N 0.768 120.982 120.200 0.023 0.000 2.077 199 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 199 E C 1.696 178.341 176.600 0.074 0.000 0.989 199 E CA 0.912 57.122 56.400 -0.316 0.000 0.800 199 E CB 0.162 29.284 29.700 -0.965 0.000 0.746 199 E HN -0.032 nan 8.360 nan 0.000 0.452 200 K N 0.163 120.617 120.400 0.090 0.000 2.097 200 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 200 K C 2.031 178.740 176.600 0.181 0.000 1.050 200 K CA 1.164 57.541 56.287 0.151 0.000 0.938 200 K CB -0.844 31.742 32.500 0.144 0.000 0.718 200 K HN 0.335 nan 8.250 nan 0.000 0.442 201 Y N 1.408 121.756 120.300 0.081 0.000 2.165 201 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 201 Y C 1.873 177.795 175.900 0.038 0.000 1.155 201 Y CA 1.176 59.307 58.100 0.052 0.000 1.164 201 Y CB -0.219 38.266 38.460 0.042 0.000 0.978 201 Y HN -0.131 nan 8.280 nan 0.000 0.513 202 L N -0.988 120.231 121.223 -0.008 0.000 2.056 202 L HA -0.210 4.130 4.340 -0.000 0.000 0.207 202 L C 2.273 178.982 176.870 -0.268 0.000 1.078 202 L CA 1.555 56.277 54.840 -0.196 0.000 0.749 202 L CB -1.281 40.702 42.059 -0.127 0.000 0.901 202 L HN 0.452 nan 8.230 nan 0.000 0.433 203 W N -0.164 121.047 121.300 -0.148 0.000 2.737 203 W HA 0.067 4.727 4.660 0.000 0.000 0.262 203 W C 0.811 177.284 176.519 -0.076 0.000 1.282 203 W CA 0.166 57.453 57.345 -0.097 0.000 1.386 203 W CB 0.314 29.736 29.460 -0.063 0.000 1.099 203 W HN 0.094 nan 8.180 nan 0.000 0.621 204 K N 0.289 120.757 120.400 0.114 0.000 2.295 204 K HA 0.097 4.417 4.320 -0.000 0.000 0.239 204 K C -0.551 176.039 176.600 -0.018 0.000 0.991 204 K CA -0.777 55.553 56.287 0.073 0.000 0.845 204 K CB 1.284 33.859 32.500 0.126 0.000 1.197 204 K HN -0.441 nan 8.250 nan 0.000 0.441 205 D N 2.587 122.994 120.400 0.011 0.000 2.671 205 D HA 0.163 4.803 4.640 -0.000 0.000 0.228 205 D C -0.826 175.489 176.300 0.024 0.000 1.102 205 D CA 0.192 54.187 54.000 -0.008 0.000 1.044 205 D CB -0.684 40.124 40.800 0.013 0.000 1.113 205 D HN 0.296 nan 8.370 nan 0.000 0.480 206 L N 0.081 121.313 121.223 0.015 0.000 2.283 206 L HA 0.503 4.843 4.340 -0.000 0.000 0.259 206 L C 0.685 177.636 176.870 0.135 0.000 1.027 206 L CA -1.088 53.789 54.840 0.063 0.000 0.828 206 L CB 2.088 44.190 42.059 0.071 0.000 1.380 206 L HN -0.028 nan 8.230 nan 0.000 0.425 207 T N -2.378 112.253 114.554 0.127 0.000 2.929 207 T HA 0.410 4.760 4.350 -0.000 0.000 0.284 207 T C 1.206 175.996 174.700 0.150 0.000 1.014 207 T CA -0.802 61.413 62.100 0.192 0.000 1.051 207 T CB 1.350 70.264 68.868 0.077 0.000 1.028 207 T HN 0.503 nan 8.240 nan 0.000 0.485 208 L N 0.665 121.887 121.223 -0.001 0.000 2.034 208 L HA -0.217 4.123 4.340 -0.000 0.000 0.217 208 L C 2.419 179.258 176.870 -0.050 0.000 1.077 208 L CA 1.960 56.673 54.840 -0.212 0.000 0.769 208 L CB -0.551 41.289 42.059 -0.365 0.000 0.890 208 L HN 0.796 nan 8.230 nan 0.000 0.435 209 D N -0.766 119.616 120.400 -0.030 0.000 2.104 209 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 209 D C 2.193 178.480 176.300 -0.022 0.000 0.994 209 D CA 1.271 55.280 54.000 0.016 0.000 0.830 209 D CB -0.147 40.657 40.800 0.006 0.000 0.959 209 D HN 0.512 nan 8.370 nan 0.000 0.452 210 Q N 0.718 120.439 119.800 -0.131 0.000 1.993 210 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 210 Q C 2.407 178.031 176.000 -0.627 0.000 0.984 210 Q CA 1.435 56.983 55.803 -0.425 0.000 0.837 210 Q CB -0.251 28.227 28.738 -0.433 0.000 0.902 210 Q HN 0.197 nan 8.270 nan 0.000 0.423 211 A N 0.710 123.339 122.820 -0.318 0.000 1.884 211 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 211 A C 1.994 179.563 177.584 -0.024 0.000 1.197 211 A CA 1.975 53.939 52.037 -0.121 0.000 0.637 211 A CB -1.190 17.870 19.000 0.100 0.000 0.827 211 A HN 0.550 nan 8.150 nan 0.000 0.450 212 Y N 1.994 122.246 120.300 -0.080 0.000 2.097 212 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 212 Y C 2.972 178.868 175.900 -0.008 0.000 1.152 212 Y CA 2.080 60.165 58.100 -0.025 0.000 1.136 212 Y CB -0.681 37.763 38.460 -0.027 0.000 0.975 212 Y HN 0.460 nan 8.280 nan 0.000 0.498 213 S N -0.619 114.988 115.700 -0.156 0.000 2.370 213 S HA -0.257 4.213 4.470 -0.000 0.000 0.226 213 S C 1.900 176.487 174.600 -0.023 0.000 1.033 213 S CA 1.468 59.576 58.200 -0.154 0.000 1.011 213 S CB -1.314 61.867 63.200 -0.031 0.000 0.852 213 S HN 0.499 nan 8.310 nan 0.000 0.457 214 Y N 2.420 122.666 120.300 -0.090 0.000 2.224 214 Y HA 0.127 4.677 4.550 -0.000 0.000 0.289 214 Y C 3.033 178.856 175.900 -0.128 0.000 1.146 214 Y CA -0.148 57.906 58.100 -0.077 0.000 1.182 214 Y CB -1.499 36.942 38.460 -0.031 0.000 0.983 214 Y HN 0.415 nan 8.280 nan 0.000 0.524 215 A N -0.442 122.374 122.820 -0.008 0.000 1.933 215 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 215 A C 2.522 179.996 177.584 -0.183 0.000 1.175 215 A CA 1.830 53.804 52.037 -0.105 0.000 0.628 215 A CB -1.048 17.878 19.000 -0.123 0.000 0.814 215 A HN 0.230 nan 8.150 nan 0.000 0.444 216 V N 0.022 119.769 119.914 -0.277 0.000 2.379 216 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 216 V C 2.578 178.593 176.094 -0.131 0.000 1.044 216 V CA 1.956 64.116 62.300 -0.234 0.000 1.036 216 V CB -0.656 30.992 31.823 -0.291 0.000 0.664 216 V HN 0.474 nan 8.190 nan 0.000 0.453 217 E N 0.636 120.785 120.200 -0.086 0.000 2.031 217 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 217 E C 2.074 178.625 176.600 -0.082 0.000 0.994 217 E CA 1.436 57.802 56.400 -0.056 0.000 0.800 217 E CB -0.671 29.021 29.700 -0.013 0.000 0.752 217 E HN 0.691 nan 8.360 nan 0.000 0.447 218 N N 0.732 119.376 118.700 -0.094 0.000 2.192 218 N HA -0.179 4.561 4.740 -0.000 0.000 0.188 218 N C 1.792 177.193 175.510 -0.182 0.000 1.013 218 N CA 0.884 53.854 53.050 -0.133 0.000 0.863 218 N CB -0.087 38.315 38.487 -0.142 0.000 0.990 218 N HN 0.099 nan 8.380 nan 0.000 0.430 219 A N 1.678 124.391 122.820 -0.178 0.000 1.972 219 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 219 A C 2.050 179.502 177.584 -0.219 0.000 1.169 219 A CA 1.256 53.164 52.037 -0.215 0.000 0.635 219 A CB -0.230 18.662 19.000 -0.180 0.000 0.810 219 A HN 0.224 nan 8.150 nan 0.000 0.446 220 K N -0.325 119.979 120.400 -0.160 0.000 2.026 220 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 220 K C 1.568 178.072 176.600 -0.159 0.000 1.048 220 K CA 1.794 57.994 56.287 -0.146 0.000 0.929 220 K CB -0.334 32.110 32.500 -0.093 0.000 0.713 220 K HN 0.507 nan 8.250 nan 0.000 0.439 221 D N 0.830 121.161 120.400 -0.117 0.000 2.144 221 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 221 D C 1.792 178.042 176.300 -0.084 0.000 0.984 221 D CA 0.945 54.922 54.000 -0.038 0.000 0.834 221 D CB -0.028 40.821 40.800 0.081 0.000 0.955 221 D HN 0.125 nan 8.370 nan 0.000 0.465 222 I N 0.442 120.874 120.570 -0.231 0.000 2.226 222 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 222 I C 2.078 178.171 176.117 -0.041 0.000 1.100 222 I CA 0.916 62.035 61.300 -0.301 0.000 1.374 222 I CB -0.175 37.497 38.000 -0.546 0.000 1.057 222 I HN 0.055 nan 8.210 nan 0.000 0.413 223 I N 0.812 121.259 120.570 -0.204 0.000 2.394 223 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 223 I C 2.674 178.708 176.117 -0.137 0.000 1.136 223 I CA 1.073 62.207 61.300 -0.276 0.000 1.425 223 I CB -0.412 37.263 38.000 -0.542 0.000 1.079 223 I HN 0.163 nan 8.210 nan 0.000 0.425 224 A N -0.355 122.363 122.820 -0.170 0.000 2.125 224 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 224 A C 2.194 179.690 177.584 -0.147 0.000 1.156 224 A CA 1.278 53.182 52.037 -0.222 0.000 0.671 224 A CB -1.062 17.643 19.000 -0.490 0.000 0.794 224 A HN 0.576 nan 8.150 nan 0.000 0.459 225 C N -1.061 118.185 119.300 -0.089 0.000 2.511 225 C HA 0.377 4.837 4.460 -0.000 0.000 0.277 225 C C 1.910 176.740 174.990 -0.266 0.000 1.451 225 C CA 0.372 59.317 59.018 -0.122 0.000 1.735 225 C CB -1.519 26.145 27.740 -0.127 0.000 1.704 225 C HN 1.103 nan 8.230 nan 0.000 0.571 226 G N 0.143 108.831 108.800 -0.186 0.000 2.142 226 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.225 226 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.225 226 G C -0.110 174.738 174.900 -0.086 0.000 1.015 226 G CA -0.573 44.459 45.100 -0.114 0.000 0.716 226 G HN 0.461 nan 8.290 nan 0.000 0.508 227 F N 0.769 120.780 119.950 0.102 0.000 2.506 227 F HA 0.311 4.838 4.527 0.000 0.000 0.351 227 F C 1.118 177.085 175.800 0.279 0.000 1.136 227 F CA -0.202 57.906 58.000 0.181 0.000 1.298 227 F CB 0.590 39.708 39.000 0.197 0.000 1.145 227 F HN 0.040 nan 8.300 nan 0.000 0.593 228 D N 3.296 123.938 120.400 0.404 0.000 2.371 228 D HA -0.019 4.621 4.640 -0.000 0.000 0.256 228 D C 0.998 177.439 176.300 0.235 0.000 1.193 228 D CA 0.280 54.436 54.000 0.261 0.000 0.881 228 D CB 0.711 41.610 40.800 0.165 0.000 1.143 228 D HN 0.615 nan 8.370 nan 0.000 0.473 229 I N 3.946 124.562 120.570 0.076 0.000 2.916 229 I HA -0.205 3.965 4.170 -0.000 0.000 0.267 229 I C 1.014 176.950 176.117 -0.301 0.000 1.263 229 I CA 0.563 61.591 61.300 -0.453 0.000 1.471 229 I CB 0.144 37.784 38.000 -0.601 0.000 1.089 229 I HN 0.279 nan 8.210 nan 0.000 0.468 230 N N 0.829 119.461 118.700 -0.113 0.000 2.299 230 N HA 0.021 4.761 4.740 -0.000 0.000 0.187 230 N C 0.792 176.297 175.510 -0.010 0.000 1.099 230 N CA 0.497 53.486 53.050 -0.101 0.000 0.867 230 N CB 0.315 38.729 38.487 -0.122 0.000 0.974 230 N HN 0.449 nan 8.380 nan 0.000 0.477 231 K N -0.224 120.235 120.400 0.098 0.000 2.438 231 K HA 0.109 4.429 4.320 -0.000 0.000 0.206 231 K C 0.208 176.940 176.600 0.220 0.000 1.081 231 K CA 0.051 56.517 56.287 0.299 0.000 1.053 231 K CB 1.331 34.078 32.500 0.412 0.000 0.908 231 K HN -0.029 nan 8.250 nan 0.000 0.556 232 T N -1.173 113.480 114.554 0.164 0.000 2.916 232 T HA 0.469 4.819 4.350 -0.000 0.000 0.298 232 T C -1.731 173.109 174.700 0.232 0.000 1.031 232 T CA -0.733 61.478 62.100 0.186 0.000 0.993 232 T CB 1.168 70.174 68.868 0.230 0.000 1.045 232 T HN 0.055 nan 8.240 nan 0.000 0.454 233 F N 5.672 125.623 119.950 0.001 0.000 2.402 233 F HA 0.715 5.242 4.527 -0.000 0.000 0.355 233 F C -1.211 174.648 175.800 0.097 0.000 1.123 233 F CA -1.985 56.022 58.000 0.011 0.000 1.021 233 F CB 0.683 39.601 39.000 -0.136 0.000 1.160 233 F HN 0.598 nan 8.300 nan 0.000 0.451 234 I N 8.181 128.646 120.570 -0.175 0.000 2.354 234 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 234 I C -0.926 174.871 176.117 -0.534 0.000 0.989 234 I CA -0.805 60.297 61.300 -0.329 0.000 1.188 234 I CB 1.108 39.016 38.000 -0.153 0.000 1.342 234 I HN 0.528 nan 8.210 nan 0.000 0.457 235 F N 3.445 122.960 119.950 -0.725 0.000 2.588 235 F HA 0.715 5.242 4.527 -0.000 0.000 0.314 235 F C -0.271 175.416 175.800 -0.189 0.000 1.069 235 F CA -1.213 56.436 58.000 -0.584 0.000 0.931 235 F CB 1.434 39.833 39.000 -1.002 0.000 1.260 235 F HN 0.311 nan 8.300 nan 0.000 0.465 236 S N 1.211 116.990 115.700 0.132 0.000 2.508 236 S HA 0.264 4.734 4.470 -0.000 0.000 0.284 236 S C 0.374 175.195 174.600 0.368 0.000 1.192 236 S CA -0.481 57.836 58.200 0.194 0.000 1.070 236 S CB 0.778 64.200 63.200 0.371 0.000 1.004 236 S HN 0.713 nan 8.310 nan 0.000 0.493 237 D N 3.303 123.914 120.400 0.352 0.000 2.092 237 D HA -0.100 4.540 4.640 -0.000 0.000 0.193 237 D C 1.878 178.418 176.300 0.401 0.000 0.994 237 D CA 1.078 55.374 54.000 0.493 0.000 0.828 237 D CB -0.197 40.902 40.800 0.499 0.000 0.963 237 D HN 0.439 nan 8.370 nan 0.000 0.450 238 L N 1.208 122.607 121.223 0.294 0.000 2.089 238 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 238 L C 1.887 178.834 176.870 0.128 0.000 1.079 238 L CA 1.667 56.609 54.840 0.171 0.000 0.758 238 L CB -0.849 41.269 42.059 0.098 0.000 0.891 238 L HN 0.004 nan 8.230 nan 0.000 0.433 239 D N -2.426 118.088 120.400 0.190 0.000 2.146 239 D HA -0.178 4.462 4.640 -0.000 0.000 0.209 239 D C 2.113 178.562 176.300 0.248 0.000 0.973 239 D CA 0.805 54.904 54.000 0.166 0.000 0.860 239 D CB -0.163 40.773 40.800 0.227 0.000 1.015 239 D HN 0.230 nan 8.370 nan 0.000 0.465 240 Y N 1.126 121.538 120.300 0.186 0.000 2.128 240 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 240 Y C 2.331 178.315 175.900 0.140 0.000 1.154 240 Y CA 1.424 59.601 58.100 0.128 0.000 1.149 240 Y CB -0.518 37.958 38.460 0.026 0.000 0.976 240 Y HN -0.108 nan 8.280 nan 0.000 0.505 241 M N -0.050 119.704 119.600 0.256 0.000 2.144 241 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 241 M C 2.017 178.348 176.300 0.053 0.000 1.067 241 M CA 2.206 57.665 55.300 0.266 0.000 1.095 241 M CB -0.946 31.844 32.600 0.317 0.000 1.365 241 M HN 0.237 nan 8.290 nan 0.000 0.406 242 G N -0.452 108.371 108.800 0.037 0.000 2.920 242 G HA2 0.149 4.109 3.960 -0.000 0.000 0.208 242 G HA3 0.149 4.109 3.960 -0.000 0.000 0.208 242 G C 1.022 175.904 174.900 -0.030 0.000 1.159 242 G CA 0.580 45.671 45.100 -0.016 0.000 0.784 242 G HN 0.669 nan 8.290 nan 0.000 0.535 243 M N -1.463 118.106 119.600 -0.052 0.000 2.449 243 M HA 0.429 4.909 4.480 -0.000 0.000 0.410 243 M C -0.021 176.195 176.300 -0.139 0.000 1.079 243 M CA -0.372 54.899 55.300 -0.049 0.000 0.922 243 M CB 0.972 33.593 32.600 0.035 0.000 1.676 243 M HN -0.046 nan 8.290 nan 0.000 0.572 244 S N 1.161 116.683 115.700 -0.297 0.000 2.451 244 S HA 0.474 4.944 4.470 -0.000 0.000 0.301 244 S C 0.917 175.410 174.600 -0.177 0.000 1.116 244 S CA -0.195 57.762 58.200 -0.405 0.000 1.093 244 S CB 1.414 63.994 63.200 -1.034 0.000 1.017 244 S HN 0.452 nan 8.310 nan 0.000 0.482 245 S N 3.141 118.773 115.700 -0.113 0.000 2.603 245 S HA 0.193 4.663 4.470 -0.000 0.000 0.220 245 S C 1.238 175.822 174.600 -0.028 0.000 0.967 245 S CA 0.359 58.532 58.200 -0.045 0.000 0.920 245 S CB 0.150 63.333 63.200 -0.027 0.000 0.773 245 S HN 0.844 nan 8.310 nan 0.000 0.529 246 G N -0.284 108.483 108.800 -0.055 0.000 2.663 246 G HA2 0.217 4.177 3.960 -0.000 0.000 0.200 246 G HA3 0.217 4.177 3.960 -0.000 0.000 0.200 246 G C 0.677 175.572 174.900 -0.008 0.000 1.114 246 G CA -0.191 44.891 45.100 -0.029 0.000 0.861 246 G HN 0.350 nan 8.290 nan 0.000 0.702 247 F N 1.258 121.055 119.950 -0.254 0.000 2.051 247 F HA -0.011 4.516 4.527 -0.000 0.000 0.296 247 F C 2.257 178.025 175.800 -0.053 0.000 1.122 247 F CA 1.167 59.033 58.000 -0.224 0.000 1.201 247 F CB -0.471 38.298 39.000 -0.386 0.000 0.978 247 F HN 0.157 nan 8.300 nan 0.000 0.472 248 Y N 1.320 121.534 120.300 -0.143 0.000 2.165 248 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 248 Y C 2.343 178.166 175.900 -0.127 0.000 1.155 248 Y CA 2.087 60.084 58.100 -0.172 0.000 1.164 248 Y CB -0.620 37.793 38.460 -0.079 0.000 0.978 248 Y HN 0.075 nan 8.280 nan 0.000 0.513 249 K N -0.308 120.008 120.400 -0.141 0.000 2.103 249 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 249 K C 1.823 178.315 176.600 -0.179 0.000 1.048 249 K CA 1.439 57.621 56.287 -0.174 0.000 0.930 249 K CB -0.207 32.268 32.500 -0.042 0.000 0.716 249 K HN 0.305 nan 8.250 nan 0.000 0.444 250 N N 0.475 119.100 118.700 -0.124 0.000 2.216 250 N HA -0.090 4.650 4.740 -0.000 0.000 0.183 250 N C 1.829 177.274 175.510 -0.110 0.000 1.017 250 N CA 0.759 53.789 53.050 -0.033 0.000 0.861 250 N CB -0.132 38.398 38.487 0.071 0.000 0.986 250 N HN -0.059 nan 8.380 nan 0.000 0.428 251 V N 0.859 120.601 119.914 -0.287 0.000 2.255 251 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 251 V C 2.452 178.395 176.094 -0.252 0.000 1.051 251 V CA 1.273 63.402 62.300 -0.285 0.000 1.018 251 V CB -0.592 31.011 31.823 -0.366 0.000 0.641 251 V HN 0.048 nan 8.190 nan 0.000 0.445 252 V N -0.243 119.413 119.914 -0.430 0.000 2.332 252 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 252 V C 2.445 178.445 176.094 -0.158 0.000 1.055 252 V CA 2.164 64.260 62.300 -0.341 0.000 1.038 252 V CB -0.776 30.768 31.823 -0.465 0.000 0.651 252 V HN 0.553 nan 8.190 nan 0.000 0.450 253 K N -0.175 120.157 120.400 -0.114 0.000 2.032 253 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 253 K C 2.040 178.703 176.600 0.105 0.000 1.048 253 K CA 1.758 58.040 56.287 -0.008 0.000 0.927 253 K CB -0.353 32.124 32.500 -0.038 0.000 0.712 253 K HN 0.400 nan 8.250 nan 0.000 0.441 254 I N 1.416 122.027 120.570 0.067 0.000 2.226 254 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 254 I C 2.394 178.571 176.117 0.100 0.000 1.100 254 I CA 1.305 62.683 61.300 0.130 0.000 1.374 254 I CB -0.311 37.779 38.000 0.149 0.000 1.057 254 I HN 0.219 nan 8.210 nan 0.000 0.413 255 Q N 0.606 120.419 119.800 0.022 0.000 2.234 255 Q HA -0.260 4.080 4.340 -0.000 0.000 0.206 255 Q C 2.117 178.100 176.000 -0.028 0.000 0.980 255 Q CA 1.308 57.116 55.803 0.008 0.000 0.869 255 Q CB -0.193 28.531 28.738 -0.023 0.000 0.912 255 Q HN 0.433 nan 8.270 nan 0.000 0.436 256 K N 0.006 120.343 120.400 -0.104 0.000 2.366 256 K HA -0.084 4.236 4.320 -0.000 0.000 0.198 256 K C 0.604 176.933 176.600 -0.451 0.000 1.044 256 K CA 0.636 56.752 56.287 -0.284 0.000 0.973 256 K CB 0.343 32.602 32.500 -0.402 0.000 0.767 256 K HN 0.309 nan 8.250 nan 0.000 0.475 257 H N -0.263 118.808 119.070 0.002 0.000 2.469 257 H HA 0.209 4.765 4.556 -0.000 0.000 0.286 257 H C -0.994 174.357 175.328 0.039 0.000 1.106 257 H CA -0.120 55.935 56.048 0.011 0.000 1.055 257 H CB 0.687 30.445 29.762 -0.007 0.000 1.618 257 H HN -0.142 nan 8.280 nan 0.000 0.559 258 V N 1.981 121.957 119.914 0.104 0.000 2.610 258 V HA 0.119 4.239 4.120 -0.000 0.000 0.298 258 V C 0.367 176.523 176.094 0.103 0.000 1.067 258 V CA -0.894 61.474 62.300 0.114 0.000 0.894 258 V CB 2.095 34.001 31.823 0.138 0.000 1.015 258 V HN 0.412 nan 8.190 nan 0.000 0.432 259 T N 0.896 115.511 114.554 0.102 0.000 2.874 259 T HA 0.419 4.769 4.350 -0.000 0.000 0.281 259 T C 0.924 175.726 174.700 0.171 0.000 0.994 259 T CA -0.239 61.939 62.100 0.129 0.000 1.015 259 T CB 1.116 70.052 68.868 0.113 0.000 1.028 259 T HN 0.436 nan 8.240 nan 0.000 0.523 260 F N 1.835 121.841 119.950 0.094 0.000 2.161 260 F HA -0.100 4.427 4.527 -0.000 0.000 0.300 260 F C 2.089 177.966 175.800 0.129 0.000 1.089 260 F CA 1.592 59.670 58.000 0.129 0.000 1.282 260 F CB -0.533 38.528 39.000 0.101 0.000 1.010 260 F HN 0.535 nan 8.300 nan 0.000 0.485 261 N N 0.709 119.529 118.700 0.199 0.000 2.069 261 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 261 N C 1.834 177.312 175.510 -0.052 0.000 1.031 261 N CA 1.885 54.984 53.050 0.081 0.000 0.852 261 N CB -0.668 37.891 38.487 0.120 0.000 1.018 261 N HN 0.542 nan 8.380 nan 0.000 0.423 262 Q N 0.345 120.140 119.800 -0.007 0.000 2.014 262 Q HA -0.143 4.197 4.340 -0.000 0.000 0.207 262 Q C 2.213 178.173 176.000 -0.067 0.000 0.993 262 Q CA 2.154 57.943 55.803 -0.023 0.000 0.850 262 Q CB -0.392 28.365 28.738 0.031 0.000 0.916 262 Q HN 0.436 nan 8.270 nan 0.000 0.417 263 V N -1.222 118.680 119.914 -0.021 0.000 2.759 263 V HA -0.166 3.954 4.120 -0.000 0.000 0.256 263 V C 2.104 178.085 176.094 -0.188 0.000 1.080 263 V CA 1.862 64.202 62.300 0.066 0.000 1.101 263 V CB -0.602 31.387 31.823 0.276 0.000 0.698 263 V HN 0.227 nan 8.190 nan 0.000 0.477 264 K N 1.444 121.630 120.400 -0.357 0.000 2.025 264 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 264 K C 2.145 178.604 176.600 -0.235 0.000 1.049 264 K CA 1.739 57.801 56.287 -0.375 0.000 0.933 264 K CB -0.763 31.482 32.500 -0.425 0.000 0.714 264 K HN 0.551 nan 8.250 nan 0.000 0.438 265 G N 0.493 109.173 108.800 -0.199 0.000 2.484 265 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 265 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 265 G C 1.377 176.109 174.900 -0.279 0.000 1.130 265 G CA 0.431 45.422 45.100 -0.181 0.000 0.784 265 G HN 0.238 nan 8.290 nan 0.000 0.543 266 I N -1.013 119.312 120.570 -0.409 0.000 2.429 266 I HA 0.136 4.306 4.170 -0.000 0.000 0.247 266 I C 1.658 177.189 176.117 -0.977 0.000 1.099 266 I CA 0.699 61.565 61.300 -0.724 0.000 1.422 266 I CB 0.045 37.468 38.000 -0.961 0.000 1.112 266 I HN 0.081 nan 8.210 nan 0.000 0.430 267 F N 0.384 119.988 119.950 -0.577 0.000 2.704 267 F HA 0.379 4.906 4.527 -0.000 0.000 0.304 267 F C 1.595 177.055 175.800 -0.567 0.000 1.094 267 F CA 0.259 57.833 58.000 -0.710 0.000 1.275 267 F CB 0.111 38.369 39.000 -1.236 0.000 1.073 267 F HN 0.111 nan 8.300 nan 0.000 0.586 268 G N 0.718 109.328 108.800 -0.317 0.000 2.198 268 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.257 268 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.257 268 G C 0.073 175.012 174.900 0.064 0.000 1.042 268 G CA -0.478 44.558 45.100 -0.107 0.000 0.791 268 G HN 0.089 nan 8.290 nan 0.000 0.502 269 F N 0.884 120.877 119.950 0.072 0.000 2.435 269 F HA 0.635 5.162 4.527 -0.000 0.000 0.316 269 F C 1.339 177.220 175.800 0.136 0.000 1.220 269 F CA -0.091 57.966 58.000 0.096 0.000 1.241 269 F CB 0.669 39.694 39.000 0.042 0.000 1.234 269 F HN 0.377 nan 8.300 nan 0.000 0.569 270 T N -3.233 111.588 114.554 0.446 0.000 2.883 270 T HA 0.328 4.678 4.350 -0.000 0.000 0.296 270 T C 0.111 175.027 174.700 0.361 0.000 1.117 270 T CA -0.823 61.510 62.100 0.387 0.000 1.006 270 T CB 1.545 70.545 68.868 0.220 0.000 1.191 270 T HN 0.298 nan 8.240 nan 0.000 0.508 271 D N 0.695 121.230 120.400 0.225 0.000 2.315 271 D HA -0.052 4.588 4.640 -0.000 0.000 0.211 271 D C 1.799 178.106 176.300 0.012 0.000 0.977 271 D CA 1.334 55.344 54.000 0.016 0.000 0.894 271 D CB -0.074 40.704 40.800 -0.037 0.000 0.910 271 D HN 0.533 nan 8.370 nan 0.000 0.490 272 S N -0.396 115.336 115.700 0.053 0.000 2.501 272 S HA -0.033 4.437 4.470 -0.000 0.000 0.220 272 S C 0.423 175.015 174.600 -0.014 0.000 0.997 272 S CA -0.246 57.963 58.200 0.015 0.000 0.919 272 S CB 0.072 63.287 63.200 0.026 0.000 0.778 272 S HN 0.055 nan 8.310 nan 0.000 0.523 273 D N 1.937 122.335 120.400 -0.003 0.000 2.357 273 D HA 0.143 4.783 4.640 -0.000 0.000 0.242 273 D C 0.707 176.920 176.300 -0.145 0.000 1.153 273 D CA 0.106 54.042 54.000 -0.106 0.000 0.918 273 D CB 0.727 41.433 40.800 -0.158 0.000 1.181 273 D HN 0.510 nan 8.370 nan 0.000 0.435 274 C N 0.166 119.330 119.300 -0.227 0.000 2.656 274 C HA 0.307 4.767 4.460 -0.000 0.000 0.391 274 C C 2.400 177.281 174.990 -0.183 0.000 1.300 274 C CA -0.850 58.055 59.018 -0.188 0.000 2.302 274 C CB -0.679 26.935 27.740 -0.209 0.000 2.655 274 C HN 0.701 nan 8.230 nan 0.000 0.656 275 I N 0.352 120.857 120.570 -0.108 0.000 2.756 275 I HA 0.139 4.309 4.170 -0.000 0.000 0.262 275 I C 1.894 177.974 176.117 -0.062 0.000 1.225 275 I CA 1.658 62.920 61.300 -0.064 0.000 1.472 275 I CB -1.093 36.892 38.000 -0.025 0.000 1.094 275 I HN 0.829 nan 8.210 nan 0.000 0.454 276 G N 1.824 110.570 108.800 -0.090 0.000 2.402 276 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 276 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 276 G C 1.733 176.579 174.900 -0.090 0.000 1.162 276 G CA 0.530 45.606 45.100 -0.040 0.000 0.777 276 G HN 0.403 nan 8.290 nan 0.000 0.539 277 K N -0.044 120.142 120.400 -0.356 0.000 2.057 277 K HA 0.046 4.366 4.320 -0.000 0.000 0.206 277 K C 2.371 178.668 176.600 -0.505 0.000 1.050 277 K CA 0.648 56.566 56.287 -0.615 0.000 0.935 277 K CB -0.155 31.640 32.500 -1.174 0.000 0.715 277 K HN 0.186 nan 8.250 nan 0.000 0.439 278 I N 1.445 121.770 120.570 -0.409 0.000 2.335 278 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 278 I C 2.144 178.309 176.117 0.081 0.000 1.129 278 I CA 1.643 62.844 61.300 -0.165 0.000 1.402 278 I CB -1.162 36.901 38.000 0.105 0.000 1.069 278 I HN 0.149 nan 8.210 nan 0.000 0.424 279 S N -0.902 114.849 115.700 0.086 0.000 2.539 279 S HA 0.042 4.512 4.470 -0.000 0.000 0.221 279 S C 1.670 176.376 174.600 0.177 0.000 0.987 279 S CA -0.486 57.796 58.200 0.137 0.000 0.929 279 S CB -0.688 62.578 63.200 0.110 0.000 0.832 279 S HN 0.299 nan 8.310 nan 0.000 0.492 280 F N 4.155 124.182 119.950 0.128 0.000 2.126 280 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 280 F C -1.288 174.635 175.800 0.206 0.000 1.096 280 F CA 0.761 58.886 58.000 0.208 0.000 1.255 280 F CB -1.417 37.800 39.000 0.362 0.000 0.997 280 F HN 0.171 nan 8.300 nan 0.000 0.479 281 P HA -0.260 nan 4.420 nan 0.000 0.218 281 P C 1.462 178.726 177.300 -0.059 0.000 1.150 281 P CA 2.430 65.507 63.100 -0.040 0.000 0.841 281 P CB -0.374 31.255 31.700 -0.119 0.000 0.784 282 A N -1.229 121.565 122.820 -0.042 0.000 1.968 282 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 282 A C 2.140 179.669 177.584 -0.092 0.000 1.169 282 A CA 1.116 53.149 52.037 -0.006 0.000 0.638 282 A CB -1.344 17.664 19.000 0.013 0.000 0.812 282 A HN 0.138 nan 8.150 nan 0.000 0.446 283 I N -0.891 119.533 120.570 -0.243 0.000 2.353 283 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 283 I C 2.686 178.713 176.117 -0.150 0.000 1.119 283 I CA 1.622 62.782 61.300 -0.232 0.000 1.417 283 I CB -0.276 37.611 38.000 -0.188 0.000 1.078 283 I HN 0.475 nan 8.210 nan 0.000 0.421 284 Q N 0.954 120.504 119.800 -0.416 0.000 2.297 284 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 284 Q C 2.129 178.266 176.000 0.229 0.000 0.962 284 Q CA 1.276 57.011 55.803 -0.115 0.000 0.879 284 Q CB 0.110 28.575 28.738 -0.455 0.000 0.947 284 Q HN 0.530 nan 8.270 nan 0.000 0.462 285 A N 0.258 123.170 122.820 0.153 0.000 1.903 285 A HA 0.095 4.415 4.320 -0.000 0.000 0.213 285 A C 2.268 179.946 177.584 0.156 0.000 1.185 285 A CA 0.996 53.190 52.037 0.262 0.000 0.628 285 A CB -0.844 18.310 19.000 0.256 0.000 0.830 285 A HN 0.485 nan 8.150 nan 0.000 0.446 286 A N 0.868 123.773 122.820 0.142 0.000 1.915 286 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 286 A C 0.086 177.753 177.584 0.138 0.000 1.198 286 A CA 2.114 54.240 52.037 0.148 0.000 0.647 286 A CB -1.828 17.080 19.000 -0.154 0.000 0.825 286 A HN 0.499 nan 8.150 nan 0.000 0.456 287 P HA 0.014 nan 4.420 nan 0.000 0.244 287 P C 0.676 177.868 177.300 -0.180 0.000 1.211 287 P CA 1.041 64.182 63.100 0.069 0.000 0.760 287 P CB -0.074 31.581 31.700 -0.075 0.000 0.961 288 S N -0.931 114.544 115.700 -0.376 0.000 2.527 288 S HA 0.099 4.569 4.470 -0.000 0.000 0.222 288 S C 0.356 174.598 174.600 -0.597 0.000 0.985 288 S CA 0.357 58.248 58.200 -0.516 0.000 0.921 288 S CB -0.403 62.329 63.200 -0.781 0.000 0.772 288 S HN 0.107 nan 8.310 nan 0.000 0.529 289 F N 1.446 121.428 119.950 0.053 0.000 2.427 289 F HA 0.348 4.875 4.527 -0.000 0.000 0.348 289 F C 1.445 177.156 175.800 -0.148 0.000 1.125 289 F CA -1.585 56.301 58.000 -0.190 0.000 0.989 289 F CB 0.868 39.505 39.000 -0.603 0.000 1.165 289 F HN -0.040 nan 8.300 nan 0.000 0.442 290 S N 1.270 116.920 115.700 -0.083 0.000 2.392 290 S HA -0.323 4.147 4.470 -0.000 0.000 0.232 290 S C 1.499 176.023 174.600 -0.125 0.000 1.041 290 S CA 1.777 59.745 58.200 -0.387 0.000 1.026 290 S CB -0.679 61.995 63.200 -0.875 0.000 0.845 290 S HN 0.766 nan 8.310 nan 0.000 0.465 291 N N 1.163 119.766 118.700 -0.161 0.000 2.551 291 N HA 0.097 4.837 4.740 -0.000 0.000 0.199 291 N C 0.696 176.164 175.510 -0.071 0.000 1.277 291 N CA 0.631 53.630 53.050 -0.085 0.000 0.870 291 N CB -0.557 37.885 38.487 -0.075 0.000 1.028 291 N HN 0.405 nan 8.380 nan 0.000 0.452 292 S N -0.724 114.903 115.700 -0.121 0.000 2.524 292 S HA 0.255 4.725 4.470 -0.000 0.000 0.216 292 S C -0.472 173.742 174.600 -0.643 0.000 0.987 292 S CA -0.185 57.837 58.200 -0.296 0.000 0.909 292 S CB -0.069 62.934 63.200 -0.328 0.000 0.781 292 S HN 0.359 nan 8.310 nan 0.000 0.521 293 F N 0.780 120.779 119.950 0.081 0.000 2.597 293 F HA 0.390 4.917 4.527 0.000 0.000 0.336 293 F C -2.220 173.562 175.800 -0.029 0.000 1.432 293 F CA -2.174 55.837 58.000 0.018 0.000 1.120 293 F CB 0.794 39.771 39.000 -0.039 0.000 1.253 293 F HN -0.043 nan 8.300 nan 0.000 0.546 294 P HA -0.275 nan 4.420 nan 0.000 0.216 294 P C 1.925 179.217 177.300 -0.014 0.000 1.154 294 P CA 1.689 64.803 63.100 0.023 0.000 0.865 294 P CB 0.144 31.847 31.700 0.005 0.000 0.789 295 Q N 0.028 119.799 119.800 -0.048 0.000 2.124 295 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 295 Q C 2.068 177.967 176.000 -0.169 0.000 0.977 295 Q CA 1.819 57.562 55.803 -0.101 0.000 0.850 295 Q CB -1.409 27.246 28.738 -0.138 0.000 0.901 295 Q HN 0.346 nan 8.270 nan 0.000 0.429 296 I N -1.823 118.579 120.570 -0.280 0.000 2.703 296 I HA 0.093 4.263 4.170 -0.000 0.000 0.259 296 I C 1.008 176.707 176.117 -0.696 0.000 1.151 296 I CA 0.771 61.757 61.300 -0.523 0.000 1.470 296 I CB -0.009 37.512 38.000 -0.799 0.000 1.112 296 I HN -0.001 nan 8.210 nan 0.000 0.437 297 F N 1.331 121.090 119.950 -0.318 0.000 2.647 297 F HA 0.456 4.983 4.527 -0.000 0.000 0.300 297 F C 0.929 176.590 175.800 -0.231 0.000 1.106 297 F CA -0.435 57.235 58.000 -0.550 0.000 1.313 297 F CB -0.172 38.397 39.000 -0.718 0.000 1.007 297 F HN -0.083 nan 8.300 nan 0.000 0.536 298 R N 2.150 122.668 120.500 0.031 0.000 3.322 298 R HA -0.276 4.064 4.340 -0.000 0.000 0.253 298 R C -0.563 175.780 176.300 0.072 0.000 0.987 298 R CA 0.898 57.038 56.100 0.066 0.000 0.666 298 R CB -1.736 28.627 30.300 0.106 0.000 1.072 298 R HN 0.561 nan 8.270 nan 0.000 0.447 299 D N -1.500 118.927 120.400 0.045 0.000 3.076 299 D HA -0.209 4.431 4.640 -0.000 0.000 0.218 299 D C -0.404 175.812 176.300 -0.139 0.000 1.156 299 D CA 1.277 55.297 54.000 0.035 0.000 0.921 299 D CB -0.257 40.648 40.800 0.174 0.000 1.113 299 D HN 0.467 nan 8.370 nan 0.000 0.418 300 R N 0.195 120.564 120.500 -0.219 0.000 2.539 300 R HA 0.277 4.617 4.340 -0.000 0.000 0.275 300 R C 1.700 177.851 176.300 -0.249 0.000 1.077 300 R CA 0.628 56.508 56.100 -0.367 0.000 1.097 300 R CB 0.619 30.773 30.300 -0.244 0.000 1.018 300 R HN 0.263 nan 8.270 nan 0.000 0.483 301 T N -3.415 111.023 114.554 -0.193 0.000 3.043 301 T HA 0.001 4.351 4.350 -0.000 0.000 0.272 301 T C 0.463 175.133 174.700 -0.050 0.000 0.990 301 T CA -0.189 61.845 62.100 -0.109 0.000 0.897 301 T CB 0.185 69.094 68.868 0.069 0.000 1.111 301 T HN 0.541 nan 8.240 nan 0.000 0.529 302 D N 1.036 121.401 120.400 -0.058 0.000 2.368 302 D HA 0.191 4.831 4.640 -0.000 0.000 0.218 302 D C 0.311 176.605 176.300 -0.010 0.000 1.112 302 D CA -0.619 53.382 54.000 0.000 0.000 0.834 302 D CB -0.417 40.397 40.800 0.023 0.000 0.953 302 D HN 0.465 nan 8.370 nan 0.000 0.505 303 I N 1.587 122.105 120.570 -0.087 0.000 2.379 303 I HA 0.026 4.196 4.170 -0.000 0.000 0.290 303 I C 0.587 176.717 176.117 0.023 0.000 1.063 303 I CA -0.637 60.619 61.300 -0.073 0.000 1.351 303 I CB 0.700 38.489 38.000 -0.352 0.000 1.410 303 I HN -0.112 nan 8.210 nan 0.000 0.505 304 Q N 5.908 125.746 119.800 0.064 0.000 2.283 304 Q HA -0.042 4.298 4.340 -0.000 0.000 0.301 304 Q C -0.788 175.172 176.000 -0.066 0.000 1.063 304 Q CA 0.552 56.368 55.803 0.021 0.000 0.952 304 Q CB 0.714 29.475 28.738 0.039 0.000 1.166 304 Q HN 0.718 nan 8.270 nan 0.000 0.381 305 C N 5.752 124.904 119.300 -0.248 0.000 2.417 305 C HA 0.777 5.237 4.460 -0.000 0.000 0.324 305 C C -1.420 173.307 174.990 -0.439 0.000 1.240 305 C CA -0.967 57.693 59.018 -0.595 0.000 1.632 305 C CB 0.257 27.584 27.740 -0.688 0.000 2.241 305 C HN 0.888 nan 8.230 nan 0.000 0.499 306 L N 7.420 128.384 121.223 -0.432 0.000 2.325 306 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 306 L C -0.707 175.951 176.870 -0.354 0.000 1.004 306 L CA -0.215 54.396 54.840 -0.382 0.000 0.823 306 L CB 1.174 42.975 42.059 -0.429 0.000 1.236 306 L HN 0.667 nan 8.230 nan 0.000 0.415 307 I N 7.918 128.252 120.570 -0.393 0.000 2.371 307 I HA 0.375 4.545 4.170 -0.000 0.000 0.282 307 I C -2.271 173.652 176.117 -0.322 0.000 1.031 307 I CA -1.569 59.442 61.300 -0.481 0.000 1.180 307 I CB 1.528 39.029 38.000 -0.831 0.000 1.336 307 I HN 0.464 nan 8.210 nan 0.000 0.467 308 P HA 0.327 nan 4.420 nan 0.000 0.293 308 P C -0.831 176.519 177.300 0.083 0.000 1.300 308 P CA -0.212 62.910 63.100 0.038 0.000 0.792 308 P CB 1.464 33.193 31.700 0.048 0.000 0.925 309 C N 0.602 120.028 119.300 0.211 0.000 3.320 309 C HA 0.852 5.312 4.460 -0.000 0.000 0.335 309 C C -0.024 175.024 174.990 0.097 0.000 1.430 309 C CA -1.187 57.916 59.018 0.142 0.000 1.271 309 C CB 1.182 29.013 27.740 0.152 0.000 1.609 309 C HN 0.636 nan 8.230 nan 0.000 0.457 310 A N 0.695 123.537 122.820 0.037 0.000 2.440 310 A HA 0.496 4.816 4.320 -0.000 0.000 0.251 310 A C 0.966 178.537 177.584 -0.022 0.000 1.089 310 A CA -0.049 51.946 52.037 -0.070 0.000 0.779 310 A CB -0.113 18.880 19.000 -0.011 0.000 1.022 310 A HN 1.675 nan 8.150 nan 0.000 0.492 311 I N 1.427 121.901 120.570 -0.160 0.000 2.479 311 I HA -0.252 3.918 4.170 -0.000 0.000 0.258 311 I C 1.684 177.827 176.117 0.043 0.000 1.165 311 I CA 2.356 63.569 61.300 -0.145 0.000 1.422 311 I CB -0.232 37.663 38.000 -0.175 0.000 1.087 311 I HN 0.778 nan 8.210 nan 0.000 0.441 312 D N -1.025 119.414 120.400 0.065 0.000 2.363 312 D HA -0.149 4.491 4.640 -0.000 0.000 0.226 312 D C 1.533 177.978 176.300 0.241 0.000 1.020 312 D CA 0.548 54.710 54.000 0.270 0.000 0.892 312 D CB -0.407 40.652 40.800 0.432 0.000 0.900 312 D HN 0.395 nan 8.370 nan 0.000 0.531 313 Q N 0.205 120.142 119.800 0.229 0.000 2.384 313 Q HA 0.019 4.359 4.340 -0.000 0.000 0.207 313 Q C 1.102 177.227 176.000 0.208 0.000 0.904 313 Q CA 0.389 56.362 55.803 0.285 0.000 0.933 313 Q CB 0.081 28.995 28.738 0.294 0.000 1.077 313 Q HN 0.384 nan 8.270 nan 0.000 0.522 314 D N 1.300 121.810 120.400 0.184 0.000 2.157 314 D HA -0.176 4.464 4.640 -0.000 0.000 0.191 314 D C -0.862 175.379 176.300 -0.099 0.000 1.004 314 D CA 1.888 55.960 54.000 0.120 0.000 0.854 314 D CB -0.346 40.406 40.800 -0.080 0.000 0.936 314 D HN 0.168 nan 8.370 nan 0.000 0.446 315 P HA -0.227 nan 4.420 nan 0.000 0.216 315 P C 1.101 178.214 177.300 -0.312 0.000 1.157 315 P CA 1.588 64.401 63.100 -0.477 0.000 0.880 315 P CB -0.410 30.874 31.700 -0.694 0.000 0.791 316 Y N -1.182 119.008 120.300 -0.184 0.000 2.193 316 Y HA -0.175 4.375 4.550 -0.000 0.000 0.285 316 Y C 2.317 178.015 175.900 -0.338 0.000 1.166 316 Y CA 1.263 59.233 58.100 -0.216 0.000 1.181 316 Y CB -1.173 36.890 38.460 -0.661 0.000 0.976 316 Y HN -0.121 nan 8.280 nan 0.000 0.520 317 F N -1.365 118.732 119.950 0.244 0.000 2.743 317 F HA 0.098 4.625 4.527 -0.000 0.000 0.297 317 F C 2.017 177.862 175.800 0.076 0.000 1.131 317 F CA 0.101 58.189 58.000 0.146 0.000 1.426 317 F CB -0.498 38.568 39.000 0.110 0.000 1.116 317 F HN -0.127 nan 8.300 nan 0.000 0.583 318 R N -0.118 120.445 120.500 0.104 0.000 2.073 318 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 318 R C 2.277 178.607 176.300 0.049 0.000 1.120 318 R CA 1.266 57.380 56.100 0.024 0.000 0.967 318 R CB -0.408 29.816 30.300 -0.127 0.000 0.862 318 R HN 0.310 nan 8.270 nan 0.000 0.436 319 M N 0.527 120.155 119.600 0.048 0.000 2.067 319 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 319 M C 1.600 178.007 176.300 0.178 0.000 1.069 319 M CA 1.912 57.270 55.300 0.097 0.000 1.117 319 M CB -0.250 32.437 32.600 0.145 0.000 1.334 319 M HN 0.055 nan 8.290 nan 0.000 0.407 320 T N 0.753 115.457 114.554 0.251 0.000 2.684 320 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 320 T C 1.763 176.649 174.700 0.310 0.000 1.036 320 T CA 1.759 64.058 62.100 0.332 0.000 1.148 320 T CB -0.394 68.713 68.868 0.398 0.000 0.863 320 T HN 0.485 nan 8.240 nan 0.000 0.436 321 R N 0.671 121.311 120.500 0.233 0.000 2.096 321 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 321 R C 2.362 178.745 176.300 0.139 0.000 1.127 321 R CA 1.583 57.790 56.100 0.177 0.000 0.968 321 R CB -0.331 30.042 30.300 0.121 0.000 0.861 321 R HN 0.436 nan 8.270 nan 0.000 0.440 322 D N -0.057 120.413 120.400 0.117 0.000 2.097 322 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 322 D C 1.873 178.218 176.300 0.074 0.000 0.989 322 D CA 1.519 55.565 54.000 0.077 0.000 0.827 322 D CB 0.231 41.066 40.800 0.060 0.000 0.966 322 D HN 0.132 nan 8.370 nan 0.000 0.456 323 V N -1.782 118.198 119.914 0.110 0.000 2.649 323 V HA 0.144 4.264 4.120 -0.000 0.000 0.248 323 V C 2.286 178.382 176.094 0.003 0.000 1.054 323 V CA 1.075 63.410 62.300 0.058 0.000 1.073 323 V CB -0.863 31.026 31.823 0.110 0.000 0.699 323 V HN 0.203 nan 8.190 nan 0.000 0.463 324 A N 1.668 124.571 122.820 0.138 0.000 1.909 324 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 324 A C 0.746 178.300 177.584 -0.051 0.000 1.223 324 A CA 2.909 55.017 52.037 0.117 0.000 0.658 324 A CB -2.279 16.925 19.000 0.340 0.000 0.831 324 A HN 0.626 nan 8.150 nan 0.000 0.462 325 P HA -0.128 nan 4.420 nan 0.000 0.216 325 P C 1.348 178.553 177.300 -0.158 0.000 1.153 325 P CA 1.307 64.367 63.100 -0.067 0.000 0.848 325 P CB -0.173 31.511 31.700 -0.027 0.000 0.787 326 R N -0.054 120.332 120.500 -0.190 0.000 2.249 326 R HA -0.049 4.291 4.340 -0.000 0.000 0.230 326 R C 1.557 177.564 176.300 -0.488 0.000 1.121 326 R CA 1.084 57.003 56.100 -0.302 0.000 0.997 326 R CB -0.756 29.358 30.300 -0.310 0.000 0.867 326 R HN 0.376 nan 8.270 nan 0.000 0.465 327 I N -4.573 115.693 120.570 -0.506 0.000 3.707 327 I HA 0.420 4.590 4.170 -0.000 0.000 0.330 327 I C 0.464 176.122 176.117 -0.765 0.000 1.572 327 I CA -0.147 60.769 61.300 -0.639 0.000 1.104 327 I CB 0.876 38.455 38.000 -0.702 0.000 1.240 327 I HN 0.063 nan 8.210 nan 0.000 0.475 328 G N 1.165 109.684 108.800 -0.468 0.000 2.203 328 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 328 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 328 G C -0.426 174.336 174.900 -0.229 0.000 1.012 328 G CA 0.443 45.341 45.100 -0.337 0.000 0.749 328 G HN 0.500 nan 8.290 nan 0.000 0.512 329 Y N 0.129 120.310 120.300 -0.199 0.000 2.509 329 Y HA 0.608 5.158 4.550 -0.000 0.000 0.341 329 Y C -1.729 174.175 175.900 0.008 0.000 1.038 329 Y CA -3.236 54.777 58.100 -0.145 0.000 1.089 329 Y CB 1.620 39.815 38.460 -0.442 0.000 1.241 329 Y HN -0.018 nan 8.280 nan 0.000 0.468 330 P HA 0.137 nan 4.420 nan 0.000 0.275 330 P C -1.092 176.360 177.300 0.252 0.000 1.228 330 P CA -0.575 62.636 63.100 0.186 0.000 0.786 330 P CB 1.238 33.014 31.700 0.127 0.000 0.927 331 K N 3.300 123.801 120.400 0.170 0.000 2.185 331 K HA 0.425 4.745 4.320 -0.000 0.000 0.271 331 K C -2.155 174.482 176.600 0.061 0.000 1.013 331 K CA -2.031 54.356 56.287 0.166 0.000 0.943 331 K CB -0.331 32.240 32.500 0.118 0.000 0.998 331 K HN 0.337 nan 8.250 nan 0.000 0.468 332 P HA 0.087 nan 4.420 nan 0.000 0.279 332 P C -0.936 176.285 177.300 -0.132 0.000 1.239 332 P CA -0.390 62.636 63.100 -0.123 0.000 0.789 332 P CB 1.376 32.956 31.700 -0.201 0.000 0.933 333 A N 3.187 125.891 122.820 -0.194 0.000 2.286 333 A HA 0.632 4.952 4.320 -0.000 0.000 0.286 333 A C -0.520 176.920 177.584 -0.239 0.000 1.097 333 A CA -0.317 51.608 52.037 -0.188 0.000 0.821 333 A CB -0.002 18.860 19.000 -0.230 0.000 1.076 333 A HN 0.496 nan 8.150 nan 0.000 0.490 334 L N 0.017 121.111 121.223 -0.215 0.000 2.393 334 L HA 0.600 4.940 4.340 -0.000 0.000 0.260 334 L C -0.763 175.928 176.870 -0.298 0.000 1.002 334 L CA 0.059 54.722 54.840 -0.295 0.000 0.818 334 L CB 2.006 43.859 42.059 -0.344 0.000 1.369 334 L HN 0.605 nan 8.230 nan 0.000 0.412 335 L N 2.584 123.660 121.223 -0.246 0.000 2.406 335 L HA 0.464 4.804 4.340 -0.000 0.000 0.270 335 L C -1.044 175.852 176.870 0.044 0.000 0.982 335 L CA -0.698 54.116 54.840 -0.043 0.000 0.843 335 L CB 1.220 43.378 42.059 0.165 0.000 1.225 335 L HN 0.538 nan 8.230 nan 0.000 0.412 336 H N 1.390 120.454 119.070 -0.012 0.000 2.487 336 H HA 0.453 5.009 4.556 -0.000 0.000 0.333 336 H C 0.012 175.002 175.328 -0.564 0.000 1.114 336 H CA -0.427 55.471 56.048 -0.249 0.000 1.310 336 H CB 1.973 31.465 29.762 -0.450 0.000 1.462 336 H HN 0.543 nan 8.280 nan 0.000 0.516 337 S N 1.102 116.437 115.700 -0.608 0.000 2.621 337 S HA 0.440 4.910 4.470 -0.000 0.000 0.302 337 S C 0.355 174.700 174.600 -0.425 0.000 1.093 337 S CA -0.800 56.769 58.200 -1.052 0.000 1.017 337 S CB 1.649 63.886 63.200 -1.605 0.000 1.077 337 S HN 0.679 nan 8.310 nan 0.000 0.517 338 T N -0.327 113.931 114.554 -0.493 0.000 2.754 338 T HA 0.518 4.868 4.350 -0.000 0.000 0.286 338 T C -0.238 174.266 174.700 -0.327 0.000 0.997 338 T CA -0.536 61.159 62.100 -0.676 0.000 0.982 338 T CB -0.334 67.935 68.868 -1.000 0.000 1.027 338 T HN 0.441 nan 8.240 nan 0.000 0.529 339 F N 0.538 120.523 119.950 0.058 0.000 2.443 339 F HA 0.417 4.944 4.527 -0.000 0.000 0.353 339 F C 0.425 176.257 175.800 0.052 0.000 1.101 339 F CA -1.236 56.819 58.000 0.092 0.000 1.226 339 F CB 0.145 39.213 39.000 0.113 0.000 1.140 339 F HN 0.516 nan 8.300 nan 0.000 0.557 340 F N 5.118 125.087 119.950 0.031 0.000 2.443 340 F HA 0.378 4.905 4.527 -0.000 0.000 0.353 340 F C -2.027 173.678 175.800 -0.159 0.000 1.101 340 F CA -2.616 55.220 58.000 -0.274 0.000 1.226 340 F CB 0.294 39.034 39.000 -0.433 0.000 1.140 340 F HN 0.265 nan 8.300 nan 0.000 0.557 341 P HA 0.264 nan 4.420 nan 0.000 0.271 341 P C -1.393 175.829 177.300 -0.130 0.000 1.218 341 P CA -0.395 62.522 63.100 -0.304 0.000 0.780 341 P CB 0.726 32.263 31.700 -0.273 0.000 0.901 342 A N 2.638 125.435 122.820 -0.038 0.000 2.327 342 A HA 0.257 4.577 4.320 -0.000 0.000 0.283 342 A C 1.474 179.088 177.584 0.050 0.000 1.127 342 A CA -0.594 51.446 52.037 0.005 0.000 0.810 342 A CB -0.208 18.775 19.000 -0.028 0.000 1.066 342 A HN 0.649 nan 8.150 nan 0.000 0.492 343 L N 0.500 121.770 121.223 0.079 0.000 2.021 343 L HA -0.288 4.052 4.340 -0.000 0.000 0.215 343 L C 2.386 179.316 176.870 0.100 0.000 1.074 343 L CA 1.690 56.571 54.840 0.070 0.000 0.760 343 L CB -0.337 41.759 42.059 0.061 0.000 0.889 343 L HN 0.799 nan 8.230 nan 0.000 0.433 344 Q N -0.331 119.516 119.800 0.078 0.000 2.364 344 Q HA 0.089 4.429 4.340 -0.000 0.000 0.209 344 Q C 0.623 176.635 176.000 0.018 0.000 0.977 344 Q CA 0.859 56.718 55.803 0.094 0.000 0.885 344 Q CB -0.052 28.711 28.738 0.041 0.000 0.941 344 Q HN 0.565 nan 8.270 nan 0.000 0.464 345 G N -2.412 106.361 108.800 -0.044 0.000 2.329 345 G HA2 0.303 4.263 3.960 -0.000 0.000 0.308 345 G HA3 0.303 4.263 3.960 -0.000 0.000 0.308 345 G C -0.381 174.419 174.900 -0.167 0.000 1.587 345 G CA -0.499 44.463 45.100 -0.231 0.000 0.978 345 G HN 0.063 nan 8.290 nan 0.000 0.685 346 A N 0.270 122.996 122.820 -0.157 0.000 2.248 346 A HA 0.134 4.454 4.320 -0.000 0.000 0.210 346 A C 2.124 179.619 177.584 -0.148 0.000 1.174 346 A CA 2.151 54.122 52.037 -0.109 0.000 0.750 346 A CB -0.225 18.742 19.000 -0.056 0.000 0.780 346 A HN 0.973 nan 8.150 nan 0.000 0.478 347 Q N 0.435 120.118 119.800 -0.196 0.000 2.200 347 Q HA -0.003 4.337 4.340 -0.000 0.000 0.197 347 Q C 0.974 176.875 176.000 -0.166 0.000 0.953 347 Q CA 1.362 57.052 55.803 -0.188 0.000 0.851 347 Q CB -1.653 26.962 28.738 -0.206 0.000 0.938 347 Q HN 0.471 nan 8.270 nan 0.000 0.488 348 T N 0.006 114.469 114.554 -0.150 0.000 2.813 348 T HA 0.552 4.902 4.350 -0.000 0.000 0.297 348 T C 0.174 174.812 174.700 -0.104 0.000 1.036 348 T CA 0.064 62.097 62.100 -0.112 0.000 1.044 348 T CB 0.729 69.546 68.868 -0.084 0.000 0.993 348 T HN 0.525 nan 8.240 nan 0.000 0.535 349 K N 1.616 121.967 120.400 -0.081 0.000 2.130 349 K HA 0.672 4.992 4.320 -0.000 0.000 0.268 349 K C 0.246 176.830 176.600 -0.026 0.000 0.983 349 K CA -0.833 55.414 56.287 -0.067 0.000 0.893 349 K CB 0.648 33.113 32.500 -0.059 0.000 1.066 349 K HN 0.963 nan 8.250 nan 0.000 0.450 350 M N -0.576 119.018 119.600 -0.010 0.000 2.753 350 M HA 0.818 5.298 4.480 -0.000 0.000 0.299 350 M C -0.127 176.220 176.300 0.079 0.000 1.219 350 M CA -0.610 54.694 55.300 0.008 0.000 0.900 350 M CB 2.088 34.648 32.600 -0.066 0.000 1.628 350 M HN 0.826 nan 8.290 nan 0.000 0.502 351 S N -0.868 114.915 115.700 0.139 0.000 2.597 351 S HA 0.598 5.068 4.470 -0.000 0.000 0.274 351 S C -0.148 174.685 174.600 0.388 0.000 1.132 351 S CA -0.427 57.916 58.200 0.238 0.000 0.835 351 S CB 1.028 64.325 63.200 0.163 0.000 1.092 351 S HN 1.069 nan 8.310 nan 0.000 0.457 352 A N 1.223 124.295 122.820 0.420 0.000 2.172 352 A HA 0.220 4.540 4.320 -0.000 0.000 0.216 352 A C 1.444 179.226 177.584 0.331 0.000 1.154 352 A CA 1.126 53.519 52.037 0.593 0.000 0.701 352 A CB -0.869 18.368 19.000 0.395 0.000 0.789 352 A HN 1.654 nan 8.150 nan 0.000 0.465 353 S N -0.298 115.529 115.700 0.211 0.000 2.945 353 S HA 0.414 4.884 4.470 -0.000 0.000 0.227 353 S C -0.457 174.193 174.600 0.082 0.000 1.353 353 S CA -0.159 58.099 58.200 0.097 0.000 1.236 353 S CB -0.081 63.168 63.200 0.081 0.000 1.069 353 S HN 0.289 nan 8.310 nan 0.000 0.509 354 D N 1.345 121.805 120.400 0.099 0.000 2.484 354 D HA 0.135 4.775 4.640 -0.000 0.000 0.223 354 D C -2.284 174.073 176.300 0.095 0.000 1.350 354 D CA -0.928 53.114 54.000 0.069 0.000 0.940 354 D CB 1.352 42.206 40.800 0.089 0.000 1.525 354 D HN 0.080 nan 8.370 nan 0.000 0.504 355 P HA -0.142 nan 4.420 nan 0.000 0.217 355 P C 0.579 177.905 177.300 0.044 0.000 1.148 355 P CA 0.940 63.942 63.100 -0.163 0.000 0.834 355 P CB 0.457 32.027 31.700 -0.217 0.000 0.783 356 N N -0.919 117.751 118.700 -0.050 0.000 2.235 356 N HA 0.024 4.764 4.740 -0.000 0.000 0.209 356 N C 1.463 176.905 175.510 -0.112 0.000 1.122 356 N CA 0.200 53.133 53.050 -0.196 0.000 0.845 356 N CB 0.067 38.164 38.487 -0.650 0.000 1.004 356 N HN 0.124 nan 8.380 nan 0.000 0.499 357 S N -0.919 114.809 115.700 0.048 0.000 2.470 357 S HA 0.146 4.616 4.470 -0.000 0.000 0.225 357 S C 0.797 175.410 174.600 0.022 0.000 1.006 357 S CA 0.236 58.461 58.200 0.041 0.000 0.934 357 S CB 0.302 63.553 63.200 0.084 0.000 0.778 357 S HN 0.269 nan 8.310 nan 0.000 0.517 358 S N -1.261 114.478 115.700 0.065 0.000 2.694 358 S HA 0.524 4.994 4.470 -0.000 0.000 0.273 358 S C -2.015 172.626 174.600 0.068 0.000 1.180 358 S CA -0.759 57.422 58.200 -0.030 0.000 0.864 358 S CB 0.329 63.241 63.200 -0.480 0.000 1.198 358 S HN 0.228 nan 8.310 nan 0.000 0.499 359 I N 2.610 123.190 120.570 0.017 0.000 2.330 359 I HA 0.367 4.537 4.170 -0.000 0.000 0.286 359 I C -0.923 175.170 176.117 -0.040 0.000 1.025 359 I CA -0.264 61.087 61.300 0.084 0.000 1.197 359 I CB 0.510 38.582 38.000 0.121 0.000 1.358 359 I HN 0.410 nan 8.210 nan 0.000 0.467 360 F N 5.323 125.285 119.950 0.018 0.000 2.418 360 F HA 0.188 4.715 4.527 -0.000 0.000 0.341 360 F C 1.453 177.233 175.800 -0.034 0.000 1.120 360 F CA -0.451 57.556 58.000 0.013 0.000 1.232 360 F CB 0.769 39.781 39.000 0.020 0.000 1.175 360 F HN 0.374 nan 8.300 nan 0.000 0.569 361 L N 1.114 122.375 121.223 0.063 0.000 2.549 361 L HA -0.143 4.197 4.340 -0.000 0.000 0.230 361 L C 1.777 178.681 176.870 0.058 0.000 1.162 361 L CA 1.267 56.083 54.840 -0.040 0.000 0.834 361 L CB -1.142 40.826 42.059 -0.151 0.000 0.947 361 L HN 0.796 nan 8.230 nan 0.000 0.452 362 T N -6.135 108.488 114.554 0.114 0.000 3.054 362 T HA 0.110 4.460 4.350 -0.000 0.000 0.255 362 T C 0.568 175.308 174.700 0.068 0.000 1.035 362 T CA -0.573 61.578 62.100 0.084 0.000 0.941 362 T CB -0.020 68.888 68.868 0.066 0.000 1.026 362 T HN 0.008 nan 8.240 nan 0.000 0.533 363 D N 3.843 124.294 120.400 0.086 0.000 2.423 363 D HA 0.208 4.848 4.640 -0.000 0.000 0.238 363 D C 0.902 177.228 176.300 0.043 0.000 1.142 363 D CA 0.451 54.492 54.000 0.067 0.000 0.884 363 D CB 1.293 42.147 40.800 0.090 0.000 1.199 363 D HN 0.500 nan 8.370 nan 0.000 0.438 364 T N -2.259 112.315 114.554 0.034 0.000 2.847 364 T HA 0.497 4.847 4.350 -0.000 0.000 0.279 364 T C 1.346 176.060 174.700 0.022 0.000 0.984 364 T CA -0.363 61.752 62.100 0.025 0.000 0.988 364 T CB 1.354 70.233 68.868 0.019 0.000 1.040 364 T HN 0.269 nan 8.240 nan 0.000 0.528 365 A N 1.118 123.948 122.820 0.017 0.000 1.892 365 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 365 A C 2.654 180.246 177.584 0.013 0.000 1.188 365 A CA 2.746 54.791 52.037 0.013 0.000 0.631 365 A CB -1.814 17.192 19.000 0.011 0.000 0.822 365 A HN 1.210 nan 8.150 nan 0.000 0.447 366 K N -0.509 119.899 120.400 0.013 0.000 2.026 366 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 366 K C 2.021 178.632 176.600 0.019 0.000 1.048 366 K CA 1.894 58.189 56.287 0.013 0.000 0.929 366 K CB -1.008 31.499 32.500 0.011 0.000 0.713 366 K HN 0.775 nan 8.250 nan 0.000 0.439 367 Q N -0.413 119.402 119.800 0.025 0.000 2.124 367 Q HA -0.019 4.321 4.340 -0.000 0.000 0.202 367 Q C 2.302 178.329 176.000 0.046 0.000 0.977 367 Q CA 1.549 57.374 55.803 0.038 0.000 0.850 367 Q CB -0.387 28.376 28.738 0.041 0.000 0.901 367 Q HN 0.648 nan 8.270 nan 0.000 0.429 368 I N 0.795 121.387 120.570 0.036 0.000 2.202 368 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 368 I C 2.557 178.685 176.117 0.018 0.000 1.091 368 I CA 1.155 62.474 61.300 0.032 0.000 1.368 368 I CB -0.296 37.715 38.000 0.019 0.000 1.058 368 I HN 0.160 nan 8.210 nan 0.000 0.410 369 K N 0.757 121.164 120.400 0.011 0.000 2.032 369 K HA -0.187 4.133 4.320 -0.000 0.000 0.209 369 K C 2.068 178.667 176.600 -0.002 0.000 1.048 369 K CA 2.119 58.405 56.287 -0.001 0.000 0.927 369 K CB -0.126 32.373 32.500 -0.002 0.000 0.712 369 K HN 0.229 nan 8.250 nan 0.000 0.441 370 T N 1.341 115.901 114.554 0.010 0.000 2.684 370 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 370 T C 1.716 176.433 174.700 0.028 0.000 1.036 370 T CA 1.605 63.712 62.100 0.010 0.000 1.148 370 T CB -0.128 68.757 68.868 0.029 0.000 0.863 370 T HN 0.322 nan 8.240 nan 0.000 0.436 371 K N 0.460 120.909 120.400 0.081 0.000 2.009 371 K HA -0.080 4.240 4.320 -0.000 0.000 0.210 371 K C 2.390 179.035 176.600 0.075 0.000 1.049 371 K CA 1.211 57.595 56.287 0.161 0.000 0.929 371 K CB -0.555 32.026 32.500 0.134 0.000 0.714 371 K HN 0.152 nan 8.250 nan 0.000 0.440 372 V N 2.290 122.202 119.914 -0.004 0.000 2.295 372 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 372 V C 1.939 177.993 176.094 -0.066 0.000 1.049 372 V CA 1.783 64.043 62.300 -0.066 0.000 1.024 372 V CB -0.572 31.200 31.823 -0.085 0.000 0.648 372 V HN 0.345 nan 8.190 nan 0.000 0.447 373 N N 0.705 119.368 118.700 -0.062 0.000 2.084 373 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 373 N C 2.014 177.454 175.510 -0.117 0.000 1.030 373 N CA 2.296 55.299 53.050 -0.078 0.000 0.849 373 N CB -0.344 38.104 38.487 -0.065 0.000 1.012 373 N HN 0.624 nan 8.380 nan 0.000 0.423 374 K N 0.906 121.204 120.400 -0.169 0.000 2.167 374 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 374 K C 1.580 177.892 176.600 -0.479 0.000 1.052 374 K CA 1.055 57.133 56.287 -0.349 0.000 0.956 374 K CB -0.634 31.580 32.500 -0.476 0.000 0.735 374 K HN 0.418 nan 8.250 nan 0.000 0.451 375 H N -1.388 117.674 119.070 -0.014 0.000 2.874 375 H HA 0.411 4.967 4.556 -0.000 0.000 0.264 375 H C 0.479 175.810 175.328 0.004 0.000 1.007 375 H CA 0.167 56.217 56.048 0.004 0.000 1.207 375 H CB 0.373 30.143 29.762 0.015 0.000 1.487 375 H HN 0.435 nan 8.280 nan 0.000 0.505 376 A N 2.141 124.987 122.820 0.043 0.000 2.473 376 A HA 0.072 4.392 4.320 -0.000 0.000 0.282 376 A C -0.251 177.358 177.584 0.042 0.000 1.163 376 A CA -0.216 51.821 52.037 -0.000 0.000 0.827 376 A CB -1.182 17.755 19.000 -0.104 0.000 1.098 376 A HN 0.268 nan 8.150 nan 0.000 0.515 377 F N 3.741 123.687 119.950 -0.006 0.000 2.623 377 F HA 0.183 4.710 4.527 -0.000 0.000 0.383 377 F C 0.908 176.723 175.800 0.025 0.000 1.077 377 F CA 1.309 59.317 58.000 0.014 0.000 1.268 377 F CB 0.551 39.562 39.000 0.019 0.000 1.053 377 F HN 0.468 nan 8.300 nan 0.000 0.571 378 S N 3.728 118.954 115.700 -0.790 0.000 2.489 378 S HA 0.561 5.031 4.470 -0.000 0.000 0.291 378 S C 0.724 175.050 174.600 -0.456 0.000 1.151 378 S CA -0.173 57.766 58.200 -0.435 0.000 1.082 378 S CB 1.213 64.257 63.200 -0.260 0.000 1.019 378 S HN 0.955 nan 8.310 nan 0.000 0.492 379 G N 2.867 111.669 108.800 0.003 0.000 3.284 379 G HA2 0.399 4.359 3.960 -0.000 0.000 0.236 379 G HA3 0.399 4.359 3.960 -0.000 0.000 0.236 379 G C 0.577 175.543 174.900 0.111 0.000 1.158 379 G CA -0.048 45.125 45.100 0.122 0.000 0.774 379 G HN 0.878 nan 8.290 nan 0.000 0.545 380 G N 0.053 108.913 108.800 0.100 0.000 2.599 380 G HA2 0.459 4.419 3.960 -0.000 0.000 0.264 380 G HA3 0.459 4.419 3.960 -0.000 0.000 0.264 380 G C 0.013 174.942 174.900 0.050 0.000 1.200 380 G CA -0.713 44.431 45.100 0.073 0.000 0.896 380 G HN 0.106 nan 8.290 nan 0.000 0.536 381 R N -0.112 120.489 120.500 0.168 0.000 2.560 381 R HA 0.152 4.492 4.340 -0.000 0.000 0.270 381 R C 0.800 177.117 176.300 0.028 0.000 1.074 381 R CA -0.674 55.482 56.100 0.094 0.000 1.140 381 R CB 0.564 30.954 30.300 0.151 0.000 1.073 381 R HN 0.531 nan 8.270 nan 0.000 0.527 382 D N 0.378 120.786 120.400 0.013 0.000 2.182 382 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 382 D C 0.800 177.097 176.300 -0.005 0.000 0.986 382 D CA 1.683 55.679 54.000 -0.006 0.000 0.847 382 D CB 0.169 40.967 40.800 -0.003 0.000 0.942 382 D HN 0.631 nan 8.370 nan 0.000 0.467 383 T N -3.179 111.386 114.554 0.019 0.000 2.901 383 T HA 0.399 4.749 4.350 -0.000 0.000 0.293 383 T C 1.070 175.791 174.700 0.036 0.000 1.084 383 T CA -0.861 61.248 62.100 0.016 0.000 1.008 383 T CB 1.788 70.669 68.868 0.022 0.000 1.170 383 T HN -0.083 nan 8.240 nan 0.000 0.509 384 I N 0.429 121.009 120.570 0.017 0.000 2.454 384 I HA -0.099 4.071 4.170 -0.000 0.000 0.254 384 I C 1.950 178.104 176.117 0.062 0.000 1.156 384 I CA 1.534 62.853 61.300 0.032 0.000 1.433 384 I CB -0.003 37.998 38.000 0.002 0.000 1.082 384 I HN 0.747 nan 8.210 nan 0.000 0.432 385 E N 0.999 121.225 120.200 0.045 0.000 2.028 385 E HA -0.233 4.117 4.350 -0.000 0.000 0.191 385 E C 2.007 178.640 176.600 0.054 0.000 0.988 385 E CA 1.496 57.916 56.400 0.034 0.000 0.799 385 E CB -0.221 29.497 29.700 0.031 0.000 0.755 385 E HN 0.499 nan 8.360 nan 0.000 0.447 386 E N -0.508 119.759 120.200 0.112 0.000 2.118 386 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 386 E C 1.959 178.658 176.600 0.165 0.000 0.992 386 E CA 1.268 57.797 56.400 0.216 0.000 0.804 386 E CB -0.168 29.649 29.700 0.195 0.000 0.741 386 E HN 0.316 nan 8.360 nan 0.000 0.458 387 H N 0.618 119.694 119.070 0.010 0.000 2.321 387 H HA -0.008 4.548 4.556 -0.000 0.000 0.300 387 H C 1.948 177.222 175.328 -0.090 0.000 1.087 387 H CA 1.480 57.496 56.048 -0.053 0.000 1.319 387 H CB 0.303 30.020 29.762 -0.075 0.000 1.379 387 H HN -0.093 nan 8.280 nan 0.000 0.501 388 R N 0.030 120.517 120.500 -0.021 0.000 2.120 388 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 388 R C 2.197 178.369 176.300 -0.214 0.000 1.123 388 R CA 1.317 57.356 56.100 -0.100 0.000 0.975 388 R CB -0.388 29.882 30.300 -0.050 0.000 0.866 388 R HN 0.457 nan 8.270 nan 0.000 0.446 389 Q N -0.246 119.376 119.800 -0.295 0.000 2.134 389 Q HA 0.039 4.379 4.340 -0.000 0.000 0.195 389 Q C 1.145 176.673 176.000 -0.787 0.000 0.958 389 Q CA 1.423 56.868 55.803 -0.595 0.000 0.840 389 Q CB 0.045 28.291 28.738 -0.819 0.000 0.918 389 Q HN 0.293 nan 8.270 nan 0.000 0.467 390 F N -0.253 119.617 119.950 -0.133 0.000 2.678 390 F HA 0.482 5.009 4.527 0.000 0.000 0.305 390 F C 1.192 176.852 175.800 -0.234 0.000 1.090 390 F CA 0.139 58.050 58.000 -0.148 0.000 1.272 390 F CB 0.389 39.324 39.000 -0.108 0.000 1.060 390 F HN 0.202 nan 8.300 nan 0.000 0.576 391 G N 0.662 109.292 108.800 -0.282 0.000 2.877 391 G HA2 0.019 3.979 3.960 -0.000 0.000 0.279 391 G HA3 0.019 3.979 3.960 -0.000 0.000 0.279 391 G C 0.283 174.809 174.900 -0.624 0.000 1.431 391 G CA -0.723 44.046 45.100 -0.552 0.000 0.883 391 G HN 0.624 nan 8.290 nan 0.000 0.547 392 G N -0.551 107.750 108.800 -0.833 0.000 2.547 392 G HA2 0.528 4.488 3.960 -0.000 0.000 0.291 392 G HA3 0.528 4.488 3.960 -0.000 0.000 0.291 392 G C -0.124 174.572 174.900 -0.339 0.000 1.211 392 G CA 0.138 44.823 45.100 -0.691 0.000 0.950 392 G HN 0.898 nan 8.290 nan 0.000 0.504 393 N N -0.365 118.262 118.700 -0.122 0.000 2.479 393 N HA 0.139 4.879 4.740 -0.000 0.000 0.261 393 N C 0.634 176.214 175.510 0.117 0.000 0.979 393 N CA -0.604 52.448 53.050 0.003 0.000 0.930 393 N CB 1.399 39.908 38.487 0.037 0.000 1.172 393 N HN 0.242 nan 8.380 nan 0.000 0.499 394 C N 1.201 120.510 119.300 0.015 0.000 2.481 394 C HA 0.089 4.549 4.460 -0.000 0.000 0.275 394 C C 1.576 176.636 174.990 0.116 0.000 1.419 394 C CA 0.000 58.976 59.018 -0.071 0.000 1.773 394 C CB -0.374 26.943 27.740 -0.704 0.000 1.862 394 C HN 0.658 nan 8.230 nan 0.000 0.530 395 D N 0.913 121.369 120.400 0.095 0.000 2.347 395 D HA -0.048 4.592 4.640 -0.000 0.000 0.215 395 D C 1.906 178.291 176.300 0.140 0.000 0.976 395 D CA 1.159 55.231 54.000 0.119 0.000 0.884 395 D CB 0.098 40.938 40.800 0.066 0.000 0.915 395 D HN 0.561 nan 8.370 nan 0.000 0.526 396 V N -2.871 117.151 119.914 0.180 0.000 3.502 396 V HA 0.184 4.304 4.120 -0.000 0.000 0.288 396 V C 0.341 176.647 176.094 0.354 0.000 1.461 396 V CA -0.419 62.017 62.300 0.226 0.000 1.029 396 V CB 0.752 32.724 31.823 0.249 0.000 0.843 396 V HN -0.202 nan 8.190 nan 0.000 0.438 397 D N 1.220 121.808 120.400 0.313 0.000 2.352 397 D HA 0.216 4.856 4.640 -0.000 0.000 0.245 397 D C 1.270 177.734 176.300 0.273 0.000 1.224 397 D CA 0.246 54.426 54.000 0.300 0.000 0.879 397 D CB 2.042 43.008 40.800 0.277 0.000 1.057 397 D HN 0.118 nan 8.370 nan 0.000 0.491 398 V N 3.660 123.727 119.914 0.257 0.000 2.392 398 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 398 V C 2.490 178.652 176.094 0.113 0.000 1.059 398 V CA 1.532 63.939 62.300 0.177 0.000 1.051 398 V CB -0.434 31.474 31.823 0.141 0.000 0.658 398 V HN 0.520 nan 8.190 nan 0.000 0.455 399 S N -0.429 115.288 115.700 0.029 0.000 2.370 399 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 399 S C 1.772 176.436 174.600 0.107 0.000 1.033 399 S CA 1.917 60.100 58.200 -0.028 0.000 1.011 399 S CB -0.456 62.698 63.200 -0.077 0.000 0.852 399 S HN 0.619 nan 8.310 nan 0.000 0.457 400 F N 2.013 121.965 119.950 0.003 0.000 2.186 400 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 400 F C 2.087 177.964 175.800 0.127 0.000 1.090 400 F CA 1.177 59.197 58.000 0.033 0.000 1.307 400 F CB -0.417 38.586 39.000 0.006 0.000 1.019 400 F HN 0.118 nan 8.300 nan 0.000 0.489 401 M N -1.289 118.408 119.600 0.161 0.000 2.080 401 M HA -0.281 4.199 4.480 -0.000 0.000 0.260 401 M C 2.080 178.500 176.300 0.200 0.000 1.068 401 M CA 1.871 57.248 55.300 0.128 0.000 1.109 401 M CB -0.930 31.777 32.600 0.178 0.000 1.342 401 M HN 0.136 nan 8.290 nan 0.000 0.405 402 Y N 0.859 121.176 120.300 0.029 0.000 2.114 402 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 402 Y C 2.194 178.241 175.900 0.246 0.000 1.165 402 Y CA 1.681 59.884 58.100 0.172 0.000 1.148 402 Y CB -0.745 37.831 38.460 0.193 0.000 0.972 402 Y HN 0.145 nan 8.280 nan 0.000 0.504 403 L N -1.246 120.101 121.223 0.206 0.000 2.127 403 L HA -0.282 4.058 4.340 -0.000 0.000 0.211 403 L C 2.241 179.063 176.870 -0.079 0.000 1.089 403 L CA 1.758 56.630 54.840 0.053 0.000 0.757 403 L CB -0.935 41.050 42.059 -0.123 0.000 0.899 403 L HN 0.193 nan 8.230 nan 0.000 0.434 404 T N -0.537 113.871 114.554 -0.242 0.000 2.833 404 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 404 T C 1.461 176.039 174.700 -0.204 0.000 1.054 404 T CA 1.415 63.336 62.100 -0.299 0.000 1.135 404 T CB -0.214 68.412 68.868 -0.405 0.000 0.869 404 T HN 0.161 nan 8.240 nan 0.000 0.466 405 F N -0.533 119.283 119.950 -0.223 0.000 2.387 405 F HA 0.286 4.813 4.527 -0.000 0.000 0.294 405 F C 1.295 176.930 175.800 -0.275 0.000 1.093 405 F CA 0.266 58.075 58.000 -0.319 0.000 1.420 405 F CB -0.042 38.422 39.000 -0.893 0.000 1.086 405 F HN 0.145 nan 8.300 nan 0.000 0.531 406 F N -1.333 118.847 119.950 0.384 0.000 2.728 406 F HA 0.303 4.830 4.527 -0.000 0.000 0.314 406 F C 0.222 176.048 175.800 0.044 0.000 1.094 406 F CA -0.487 57.657 58.000 0.240 0.000 1.217 406 F CB 0.030 39.164 39.000 0.224 0.000 1.056 406 F HN -0.305 nan 8.300 nan 0.000 0.577 407 L N 1.617 122.896 121.223 0.093 0.000 2.268 407 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 407 L C 1.278 178.023 176.870 -0.207 0.000 1.064 407 L CA -0.010 54.818 54.840 -0.020 0.000 0.824 407 L CB 0.239 42.290 42.059 -0.015 0.000 1.202 407 L HN 0.055 nan 8.230 nan 0.000 0.433 408 E N 1.789 121.841 120.200 -0.245 0.000 2.031 408 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 408 E C 0.018 176.467 176.600 -0.252 0.000 0.994 408 E CA 0.951 57.117 56.400 -0.390 0.000 0.800 408 E CB 0.030 29.583 29.700 -0.246 0.000 0.752 408 E HN 0.739 nan 8.360 nan 0.000 0.447 409 D N 1.554 121.873 120.400 -0.135 0.000 2.368 409 D HA -0.065 4.575 4.640 -0.000 0.000 0.268 409 D C 0.351 176.608 176.300 -0.071 0.000 1.298 409 D CA 0.127 54.078 54.000 -0.083 0.000 0.938 409 D CB 0.477 41.251 40.800 -0.043 0.000 1.101 409 D HN -0.143 nan 8.370 nan 0.000 0.509 410 D N 2.922 123.282 120.400 -0.066 0.000 2.104 410 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 410 D C 1.123 177.420 176.300 -0.006 0.000 0.994 410 D CA 0.967 54.943 54.000 -0.040 0.000 0.830 410 D CB 0.114 40.895 40.800 -0.032 0.000 0.959 410 D HN 0.526 nan 8.370 nan 0.000 0.452 411 D N 0.142 120.540 120.400 -0.003 0.000 2.117 411 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 411 D C 1.909 178.223 176.300 0.024 0.000 0.987 411 D CA 0.822 54.830 54.000 0.012 0.000 0.829 411 D CB -0.116 40.689 40.800 0.008 0.000 0.961 411 D HN 0.242 nan 8.370 nan 0.000 0.460 412 K N 0.254 120.664 120.400 0.017 0.000 2.057 412 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 412 K C 2.153 178.786 176.600 0.055 0.000 1.050 412 K CA 0.411 56.717 56.287 0.031 0.000 0.935 412 K CB -0.154 32.357 32.500 0.018 0.000 0.715 412 K HN -0.016 nan 8.250 nan 0.000 0.439 413 L N 1.762 123.011 121.223 0.043 0.000 2.042 413 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 413 L C 2.129 179.103 176.870 0.172 0.000 1.076 413 L CA 2.029 56.916 54.840 0.077 0.000 0.749 413 L CB -0.499 41.563 42.059 0.004 0.000 0.893 413 L HN 0.245 nan 8.230 nan 0.000 0.432 414 E N -0.768 119.502 120.200 0.118 0.000 2.106 414 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 414 E C 2.161 178.822 176.600 0.101 0.000 0.984 414 E CA 1.350 57.821 56.400 0.118 0.000 0.806 414 E CB -0.424 29.318 29.700 0.071 0.000 0.750 414 E HN 0.649 nan 8.360 nan 0.000 0.458 415 Q N 0.356 120.207 119.800 0.084 0.000 2.119 415 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 415 Q C 2.201 178.256 176.000 0.092 0.000 0.972 415 Q CA 1.589 57.434 55.803 0.070 0.000 0.847 415 Q CB -0.153 28.618 28.738 0.054 0.000 0.903 415 Q HN 0.473 nan 8.270 nan 0.000 0.433 416 I N 0.367 121.017 120.570 0.132 0.000 2.252 416 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 416 I C 2.858 179.071 176.117 0.160 0.000 1.102 416 I CA 0.943 62.342 61.300 0.164 0.000 1.385 416 I CB -0.419 37.707 38.000 0.210 0.000 1.064 416 I HN 0.183 nan 8.210 nan 0.000 0.414 417 R N 1.418 122.027 120.500 0.181 0.000 2.091 417 R HA -0.247 4.093 4.340 -0.000 0.000 0.238 417 R C 2.300 178.575 176.300 -0.042 0.000 1.136 417 R CA 1.795 57.846 56.100 -0.081 0.000 0.959 417 R CB -0.082 30.225 30.300 0.012 0.000 0.856 417 R HN 0.066 nan 8.270 nan 0.000 0.437 418 K N 0.995 121.408 120.400 0.022 0.000 2.002 418 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 418 K C 1.517 178.126 176.600 0.014 0.000 1.048 418 K CA 2.219 58.511 56.287 0.008 0.000 0.930 418 K CB -0.364 32.148 32.500 0.020 0.000 0.714 418 K HN 0.173 nan 8.250 nan 0.000 0.438 419 D N -0.946 119.485 120.400 0.052 0.000 2.178 419 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 419 D C 1.717 178.082 176.300 0.109 0.000 0.980 419 D CA 0.954 54.994 54.000 0.067 0.000 0.842 419 D CB -0.303 40.548 40.800 0.086 0.000 0.948 419 D HN 0.241 nan 8.370 nan 0.000 0.472 420 Y N 1.498 121.784 120.300 -0.023 0.000 2.220 420 Y HA -0.129 4.421 4.550 -0.000 0.000 0.291 420 Y C 2.263 178.110 175.900 -0.088 0.000 1.129 420 Y CA 1.306 59.401 58.100 -0.008 0.000 1.161 420 Y CB -0.396 38.044 38.460 -0.032 0.000 0.997 420 Y HN -0.107 nan 8.280 nan 0.000 0.522 421 T N -0.812 113.690 114.554 -0.086 0.000 2.915 421 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 421 T C 1.967 176.545 174.700 -0.203 0.000 1.071 421 T CA 1.511 63.501 62.100 -0.183 0.000 1.132 421 T CB -0.477 68.320 68.868 -0.118 0.000 0.878 421 T HN 0.498 nan 8.240 nan 0.000 0.479 422 S N 0.268 115.879 115.700 -0.147 0.000 2.562 422 S HA 0.339 4.809 4.470 -0.000 0.000 0.221 422 S C 1.976 176.457 174.600 -0.199 0.000 0.975 422 S CA 0.645 58.760 58.200 -0.142 0.000 0.918 422 S CB -0.284 62.869 63.200 -0.079 0.000 0.772 422 S HN 0.675 nan 8.310 nan 0.000 0.531 423 G N 0.808 109.436 108.800 -0.287 0.000 2.205 423 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.261 423 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.261 423 G C 1.105 175.976 174.900 -0.049 0.000 0.980 423 G CA 0.269 45.155 45.100 -0.356 0.000 0.632 423 G HN 1.232 nan 8.290 nan 0.000 0.533 424 A N -0.523 122.284 122.820 -0.022 0.000 1.933 424 A HA 0.401 4.721 4.320 -0.000 0.000 0.218 424 A C 1.506 179.145 177.584 0.091 0.000 1.175 424 A CA 1.905 53.958 52.037 0.028 0.000 0.628 424 A CB -0.071 18.939 19.000 0.016 0.000 0.814 424 A HN 1.003 nan 8.150 nan 0.000 0.444 425 M N 1.049 120.742 119.600 0.155 0.000 2.129 425 M HA 0.477 4.957 4.480 -0.000 0.000 0.348 425 M C -1.309 175.208 176.300 0.362 0.000 1.116 425 M CA -0.452 54.984 55.300 0.228 0.000 1.022 425 M CB 0.729 33.480 32.600 0.252 0.000 1.599 425 M HN 0.221 nan 8.290 nan 0.000 0.449 426 L N 3.051 124.392 121.223 0.197 0.000 2.418 426 L HA 0.224 4.564 4.340 -0.000 0.000 0.265 426 L C 1.723 178.678 176.870 0.142 0.000 1.143 426 L CA -0.336 54.526 54.840 0.036 0.000 0.809 426 L CB 1.067 43.099 42.059 -0.044 0.000 1.124 426 L HN 0.813 nan 8.230 nan 0.000 0.456 427 T N -0.131 114.482 114.554 0.099 0.000 2.897 427 T HA -0.130 4.220 4.350 -0.000 0.000 0.271 427 T C 1.595 176.286 174.700 -0.014 0.000 1.084 427 T CA 1.537 63.727 62.100 0.150 0.000 1.123 427 T CB -0.276 68.658 68.868 0.110 0.000 0.865 427 T HN 0.831 nan 8.240 nan 0.000 0.496 428 G N 0.645 109.429 108.800 -0.027 0.000 2.421 428 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.217 428 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.217 428 G C 1.490 176.376 174.900 -0.023 0.000 1.143 428 G CA 0.666 45.745 45.100 -0.035 0.000 0.784 428 G HN 0.682 nan 8.290 nan 0.000 0.541 429 E N -0.073 120.126 120.200 -0.001 0.000 2.158 429 E HA 0.091 4.441 4.350 -0.000 0.000 0.191 429 E C 2.349 178.945 176.600 -0.008 0.000 0.982 429 E CA 0.003 56.408 56.400 0.008 0.000 0.823 429 E CB -0.092 29.630 29.700 0.037 0.000 0.766 429 E HN 0.336 nan 8.360 nan 0.000 0.468 430 L N 1.202 122.401 121.223 -0.041 0.000 1.976 430 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 430 L C 2.276 179.099 176.870 -0.078 0.000 1.071 430 L CA 1.481 56.253 54.840 -0.112 0.000 0.746 430 L CB -0.080 41.760 42.059 -0.365 0.000 0.890 430 L HN 0.006 nan 8.230 nan 0.000 0.432 431 K N 0.245 120.594 120.400 -0.085 0.000 2.052 431 K HA -0.295 4.025 4.320 -0.000 0.000 0.215 431 K C 2.007 178.584 176.600 -0.038 0.000 1.053 431 K CA 1.861 58.108 56.287 -0.066 0.000 0.934 431 K CB -0.292 32.169 32.500 -0.065 0.000 0.717 431 K HN 0.005 nan 8.250 nan 0.000 0.450 432 K N 0.084 120.468 120.400 -0.027 0.000 2.059 432 K HA -0.154 4.166 4.320 -0.000 0.000 0.212 432 K C 1.829 178.428 176.600 -0.001 0.000 1.050 432 K CA 1.822 58.102 56.287 -0.012 0.000 0.927 432 K CB -0.619 31.878 32.500 -0.006 0.000 0.714 432 K HN 0.235 nan 8.250 nan 0.000 0.447 433 A N 0.271 123.093 122.820 0.003 0.000 1.877 433 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 433 A C 2.102 179.703 177.584 0.027 0.000 1.186 433 A CA 1.629 53.677 52.037 0.018 0.000 0.620 433 A CB -0.768 18.248 19.000 0.027 0.000 0.822 433 A HN 0.354 nan 8.150 nan 0.000 0.443 434 L N 0.176 121.413 121.223 0.024 0.000 2.042 434 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 434 L C 2.186 179.079 176.870 0.039 0.000 1.076 434 L CA 1.818 56.687 54.840 0.049 0.000 0.749 434 L CB -0.486 41.589 42.059 0.025 0.000 0.893 434 L HN 0.448 nan 8.230 nan 0.000 0.432 435 I N -0.488 120.088 120.570 0.010 0.000 2.361 435 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 435 I C 2.199 178.323 176.117 0.011 0.000 1.133 435 I CA 1.308 62.611 61.300 0.005 0.000 1.413 435 I CB -0.427 37.570 38.000 -0.005 0.000 1.073 435 I HN 0.384 nan 8.210 nan 0.000 0.424 436 E N 0.212 120.421 120.200 0.015 0.000 2.274 436 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 436 E C 2.220 178.834 176.600 0.022 0.000 0.996 436 E CA 0.837 57.247 56.400 0.016 0.000 0.840 436 E CB 0.119 29.829 29.700 0.017 0.000 0.772 436 E HN 0.361 nan 8.360 nan 0.000 0.491 437 V N 1.086 121.020 119.914 0.034 0.000 2.500 437 V HA -0.137 3.983 4.120 -0.000 0.000 0.243 437 V C 2.168 178.270 176.094 0.014 0.000 1.039 437 V CA 0.968 63.295 62.300 0.046 0.000 1.053 437 V CB -0.207 31.672 31.823 0.094 0.000 0.695 437 V HN 0.215 nan 8.190 nan 0.000 0.463 438 L N -0.405 120.818 121.223 -0.001 0.000 2.109 438 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 438 L C 2.695 179.534 176.870 -0.051 0.000 1.086 438 L CA 1.437 56.239 54.840 -0.064 0.000 0.760 438 L CB -0.568 41.472 42.059 -0.032 0.000 0.910 438 L HN 0.375 nan 8.230 nan 0.000 0.437 439 Q N 0.102 119.892 119.800 -0.017 0.000 2.061 439 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 439 Q C -0.488 175.510 176.000 -0.004 0.000 0.984 439 Q CA 1.783 57.582 55.803 -0.007 0.000 0.846 439 Q CB -1.084 27.655 28.738 0.002 0.000 0.902 439 Q HN 0.466 nan 8.270 nan 0.000 0.421 440 P HA -0.150 nan 4.420 nan 0.000 0.219 440 P C 1.466 178.772 177.300 0.010 0.000 1.150 440 P CA 0.930 64.036 63.100 0.009 0.000 0.814 440 P CB 0.027 31.736 31.700 0.014 0.000 0.787 441 L N -0.250 120.966 121.223 -0.011 0.000 1.976 441 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 441 L C 2.434 179.297 176.870 -0.010 0.000 1.071 441 L CA 1.899 56.726 54.840 -0.022 0.000 0.746 441 L CB -1.276 40.714 42.059 -0.115 0.000 0.890 441 L HN -0.234 nan 8.230 nan 0.000 0.432 442 I N 0.100 120.643 120.570 -0.045 0.000 2.252 442 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 442 I C 2.620 178.765 176.117 0.047 0.000 1.102 442 I CA 1.443 62.731 61.300 -0.020 0.000 1.385 442 I CB -1.122 36.853 38.000 -0.042 0.000 1.064 442 I HN 0.346 nan 8.210 nan 0.000 0.414 443 A N -0.254 122.584 122.820 0.030 0.000 1.873 443 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 443 A C 2.412 180.025 177.584 0.049 0.000 1.193 443 A CA 2.110 54.169 52.037 0.037 0.000 0.629 443 A CB -0.743 18.271 19.000 0.023 0.000 0.826 443 A HN 0.470 nan 8.150 nan 0.000 0.447 444 E N -1.170 119.060 120.200 0.051 0.000 2.106 444 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 444 E C 1.985 178.625 176.600 0.066 0.000 0.984 444 E CA 1.201 57.631 56.400 0.049 0.000 0.806 444 E CB -0.364 29.364 29.700 0.047 0.000 0.750 444 E HN 0.823 nan 8.360 nan 0.000 0.458 445 H N 0.971 120.038 119.070 -0.005 0.000 2.389 445 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 445 H C 1.811 177.133 175.328 -0.009 0.000 1.081 445 H CA 1.697 57.740 56.048 -0.008 0.000 1.345 445 H CB 0.256 30.011 29.762 -0.012 0.000 1.393 445 H HN 0.257 nan 8.280 nan 0.000 0.520 446 Q N -0.033 119.865 119.800 0.164 0.000 2.170 446 Q HA -0.052 4.288 4.340 -0.000 0.000 0.203 446 Q C 2.514 178.515 176.000 0.000 0.000 0.976 446 Q CA 1.118 56.977 55.803 0.093 0.000 0.858 446 Q CB -0.016 28.777 28.738 0.092 0.000 0.907 446 Q HN 0.502 nan 8.270 nan 0.000 0.433 447 A N 1.241 124.060 122.820 -0.002 0.000 1.898 447 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 447 A C 1.992 179.550 177.584 -0.044 0.000 1.181 447 A CA 1.075 53.103 52.037 -0.014 0.000 0.620 447 A CB -0.239 18.761 19.000 -0.001 0.000 0.819 447 A HN 0.170 nan 8.150 nan 0.000 0.442 448 R N -1.096 119.357 120.500 -0.080 0.000 2.115 448 R HA 0.003 4.343 4.340 -0.000 0.000 0.226 448 R C 2.411 178.625 176.300 -0.144 0.000 1.100 448 R CA 1.110 57.148 56.100 -0.104 0.000 0.980 448 R CB -0.207 30.020 30.300 -0.122 0.000 0.875 448 R HN 0.540 nan 8.270 nan 0.000 0.445 449 R N 1.267 121.640 120.500 -0.212 0.000 2.148 449 R HA -0.104 4.236 4.340 -0.000 0.000 0.227 449 R C 1.859 178.104 176.300 -0.092 0.000 1.103 449 R CA 1.349 57.332 56.100 -0.195 0.000 0.983 449 R CB 0.063 30.235 30.300 -0.213 0.000 0.874 449 R HN -0.006 nan 8.270 nan 0.000 0.451 450 K N 0.424 120.787 120.400 -0.062 0.000 2.288 450 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 450 K C 1.048 177.634 176.600 -0.023 0.000 1.048 450 K CA 1.159 57.428 56.287 -0.030 0.000 0.956 450 K CB 0.251 32.741 32.500 -0.016 0.000 0.746 450 K HN 0.292 nan 8.250 nan 0.000 0.461 451 E N 0.040 120.222 120.200 -0.030 0.000 2.435 451 E HA -0.020 4.330 4.350 -0.000 0.000 0.195 451 E C -0.315 176.282 176.600 -0.006 0.000 1.029 451 E CA 0.030 56.422 56.400 -0.014 0.000 0.865 451 E CB 0.546 30.238 29.700 -0.013 0.000 0.833 451 E HN -0.033 nan 8.360 nan 0.000 0.510 452 V N 3.341 123.242 119.914 -0.022 0.000 2.381 452 V HA 0.002 4.122 4.120 -0.000 0.000 0.257 452 V C 0.692 176.790 176.094 0.006 0.000 1.057 452 V CA -0.046 62.248 62.300 -0.011 0.000 1.013 452 V CB -0.078 31.714 31.823 -0.052 0.000 1.069 452 V HN 0.220 nan 8.190 nan 0.000 0.484 453 T N 0.537 115.109 114.554 0.029 0.000 2.849 453 T HA 0.148 4.498 4.350 -0.000 0.000 0.284 453 T C 0.959 175.684 174.700 0.041 0.000 1.004 453 T CA -0.637 61.482 62.100 0.032 0.000 1.021 453 T CB 1.106 69.996 68.868 0.037 0.000 1.013 453 T HN 0.545 nan 8.240 nan 0.000 0.527 454 D N 0.807 121.229 120.400 0.037 0.000 2.149 454 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 454 D C 2.092 178.429 176.300 0.062 0.000 0.990 454 D CA 1.319 55.345 54.000 0.044 0.000 0.839 454 D CB 0.103 40.926 40.800 0.039 0.000 0.948 454 D HN 0.827 nan 8.370 nan 0.000 0.460 455 E N 0.811 121.047 120.200 0.060 0.000 2.208 455 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 455 E C 2.451 179.106 176.600 0.092 0.000 0.988 455 E CA 0.256 56.695 56.400 0.066 0.000 0.828 455 E CB -0.445 29.285 29.700 0.049 0.000 0.763 455 E HN 0.384 nan 8.360 nan 0.000 0.478 456 I N 1.301 121.937 120.570 0.109 0.000 2.202 456 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 456 I C 2.477 178.762 176.117 0.280 0.000 1.091 456 I CA 0.777 62.188 61.300 0.185 0.000 1.368 456 I CB -0.240 37.869 38.000 0.182 0.000 1.058 456 I HN -0.073 nan 8.210 nan 0.000 0.410 457 V N 1.458 121.477 119.914 0.176 0.000 2.343 457 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 457 V C 3.028 179.230 176.094 0.180 0.000 1.051 457 V CA 2.564 64.954 62.300 0.149 0.000 1.036 457 V CB -1.419 30.434 31.823 0.050 0.000 0.654 457 V HN 0.532 nan 8.190 nan 0.000 0.451 458 K N 0.156 120.641 120.400 0.142 0.000 2.026 458 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 458 K C 2.104 178.795 176.600 0.150 0.000 1.048 458 K CA 1.946 58.315 56.287 0.136 0.000 0.929 458 K CB -0.893 31.670 32.500 0.105 0.000 0.713 458 K HN 0.644 nan 8.250 nan 0.000 0.439 459 E N -1.252 119.024 120.200 0.126 0.000 2.085 459 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 459 E C 1.926 178.574 176.600 0.080 0.000 0.994 459 E CA 1.310 57.750 56.400 0.066 0.000 0.801 459 E CB -0.212 29.484 29.700 -0.007 0.000 0.743 459 E HN 0.579 nan 8.360 nan 0.000 0.453 460 F N 0.271 120.270 119.950 0.081 0.000 2.126 460 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 460 F C 2.200 178.082 175.800 0.136 0.000 1.096 460 F CA 1.253 59.308 58.000 0.092 0.000 1.255 460 F CB -0.010 39.015 39.000 0.042 0.000 0.997 460 F HN 0.064 nan 8.300 nan 0.000 0.479 461 M N -0.880 118.900 119.600 0.300 0.000 2.563 461 M HA 0.053 4.533 4.480 -0.000 0.000 0.231 461 M C 0.036 176.550 176.300 0.357 0.000 1.136 461 M CA 0.364 55.809 55.300 0.242 0.000 1.026 461 M CB -0.339 32.358 32.600 0.162 0.000 1.597 461 M HN -0.229 nan 8.290 nan 0.000 0.495 462 T N 4.176 118.924 114.554 0.323 0.000 2.728 462 T HA 0.260 4.610 4.350 -0.000 0.000 0.296 462 T C -2.298 172.522 174.700 0.201 0.000 0.940 462 T CA -1.188 61.060 62.100 0.247 0.000 1.013 462 T CB 0.764 69.705 68.868 0.123 0.000 0.912 462 T HN 0.102 nan 8.240 nan 0.000 0.484 463 P HA 0.123 nan 4.420 nan 0.000 0.264 463 P C -0.228 176.930 177.300 -0.236 0.000 1.193 463 P CA 0.008 62.932 63.100 -0.292 0.000 0.763 463 P CB 0.573 32.263 31.700 -0.016 0.000 0.810 464 R N 0.924 121.199 120.500 -0.375 0.000 2.752 464 R HA 0.402 4.742 4.340 -0.000 0.000 0.277 464 R C -1.314 174.842 176.300 -0.241 0.000 1.024 464 R CA -1.150 54.819 56.100 -0.218 0.000 0.866 464 R CB 0.842 31.059 30.300 -0.139 0.000 1.278 464 R HN 0.247 nan 8.270 nan 0.000 0.473 465 K N 1.486 121.792 120.400 -0.156 0.000 2.249 465 K HA 0.356 4.676 4.320 -0.000 0.000 0.280 465 K C -0.525 176.006 176.600 -0.115 0.000 1.033 465 K CA -0.461 55.745 56.287 -0.135 0.000 0.946 465 K CB 0.758 33.211 32.500 -0.079 0.000 1.005 465 K HN 0.457 nan 8.250 nan 0.000 0.469 466 L N 1.791 122.962 121.223 -0.088 0.000 2.400 466 L HA 0.203 4.543 4.340 -0.000 0.000 0.264 466 L C 0.767 177.636 176.870 -0.002 0.000 1.061 466 L CA -0.670 54.159 54.840 -0.017 0.000 0.799 466 L CB 1.573 43.678 42.059 0.076 0.000 1.240 466 L HN 0.656 nan 8.230 nan 0.000 0.461 467 S N 0.953 116.591 115.700 -0.104 0.000 3.361 467 S HA 0.233 4.703 4.470 -0.000 0.000 0.246 467 S C -0.711 173.548 174.600 -0.568 0.000 1.237 467 S CA 0.252 58.271 58.200 -0.302 0.000 1.240 467 S CB -1.121 61.853 63.200 -0.377 0.000 1.154 467 S HN 0.215 nan 8.310 nan 0.000 0.461 468 F N 0.270 120.176 119.950 -0.074 0.000 2.601 468 F HA 0.404 4.931 4.527 -0.000 0.000 0.309 468 F C -0.246 175.450 175.800 -0.175 0.000 1.089 468 F CA -1.319 56.602 58.000 -0.131 0.000 0.940 468 F CB 1.654 40.635 39.000 -0.031 0.000 1.273 468 F HN -0.088 nan 8.300 nan 0.000 0.450 469 D N 1.906 122.198 120.400 -0.180 0.000 2.391 469 D HA 0.511 5.151 4.640 -0.000 0.000 0.245 469 D C -1.510 174.524 176.300 -0.444 0.000 1.069 469 D CA -0.187 53.705 54.000 -0.180 0.000 0.831 469 D CB 0.911 41.644 40.800 -0.112 0.000 1.204 469 D HN 0.182 nan 8.370 nan 0.000 0.503 470 F N 2.020 121.996 119.950 0.043 0.000 2.507 470 F HA 0.395 4.922 4.527 -0.000 0.000 0.325 470 F C 0.473 176.274 175.800 0.001 0.000 1.116 470 F CA -0.883 57.145 58.000 0.047 0.000 0.930 470 F CB 1.773 40.827 39.000 0.091 0.000 1.146 470 F HN 0.031 nan 8.300 nan 0.000 0.447 471 Q N 1.968 121.836 119.800 0.113 0.000 2.266 471 Q HA 0.346 4.686 4.340 -0.000 0.000 0.261 471 Q C -1.254 174.703 176.000 -0.073 0.000 0.985 471 Q CA -0.615 55.159 55.803 -0.048 0.000 0.873 471 Q CB 2.281 30.997 28.738 -0.035 0.000 1.306 471 Q HN 0.677 nan 8.270 nan 0.000 0.447 472 H N 1.438 120.216 119.070 -0.487 0.000 3.277 472 H HA 0.369 4.925 4.556 -0.000 0.000 0.329 472 H C -1.626 173.270 175.328 -0.719 0.000 1.034 472 H CA -0.345 55.448 56.048 -0.426 0.000 1.530 472 H CB 0.238 29.871 29.762 -0.214 0.000 1.837 472 H HN 0.607 nan 8.280 nan 0.000 0.493 473 H N 3.787 122.605 119.070 -0.419 0.000 2.524 473 H HA 0.596 5.152 4.556 -0.000 0.000 0.353 473 H C -0.573 174.427 175.328 -0.547 0.000 1.136 473 H CA -0.780 54.944 56.048 -0.540 0.000 1.193 473 H CB 1.253 30.867 29.762 -0.247 0.000 1.558 473 H HN 0.749 nan 8.280 nan 0.000 0.515 474 H N -0.576 118.397 119.070 -0.162 0.000 3.123 474 H HA 0.323 4.879 4.556 -0.000 0.000 0.346 474 H C -1.368 173.890 175.328 -0.117 0.000 1.138 474 H CA -0.848 55.129 56.048 -0.118 0.000 1.273 474 H CB 0.188 29.860 29.762 -0.150 0.000 1.926 474 H HN 0.570 nan 8.280 nan 0.000 0.524 475 H N 0.000 119.163 119.070 0.154 0.000 2.539 475 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 475 H CA 0.000 56.103 56.048 0.092 0.000 1.023 475 H CB 0.000 29.793 29.762 0.052 0.000 1.292 475 H HN 0.000 nan 8.280 nan 0.000 0.496