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 1pr3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQA XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALKMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNCTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKEEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVR IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.034 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.620 32.600 0.033 0.000 1.302 2 K N 2.029 122.445 120.400 0.027 0.000 2.382 2 K HA 0.265 4.585 4.320 -0.001 0.000 0.275 2 K C -0.759 175.871 176.600 0.050 0.000 1.009 2 K CA -0.003 56.304 56.287 0.033 0.000 0.970 2 K CB 0.177 32.680 32.500 0.005 0.000 0.934 2 K HN 0.497 nan 8.250 nan 0.000 0.479 3 N N 2.069 120.809 118.700 0.068 0.000 2.439 3 N HA 0.164 4.904 4.740 -0.001 0.000 0.249 3 N C -0.724 174.823 175.510 0.062 0.000 1.003 3 N CA -0.312 52.785 53.050 0.078 0.000 0.942 3 N CB 1.206 39.750 38.487 0.095 0.000 1.115 3 N HN 0.102 nan 8.380 nan 0.000 0.505 4 V N 0.567 120.498 119.914 0.029 0.000 2.448 4 V HA 0.633 4.752 4.120 -0.001 0.000 0.295 4 V C 0.845 176.828 176.094 -0.186 0.000 1.025 4 V CA -1.031 61.196 62.300 -0.123 0.000 0.859 4 V CB 1.654 33.347 31.823 -0.218 0.000 0.988 4 V HN 0.619 nan 8.190 nan 0.000 0.431 5 G N 2.905 111.546 108.800 -0.267 0.000 2.367 5 G HA2 0.692 4.652 3.960 -0.001 0.000 0.314 5 G HA3 0.692 4.652 3.960 -0.001 0.000 0.314 5 G C -1.311 173.294 174.900 -0.491 0.000 1.130 5 G CA -0.295 44.743 45.100 -0.104 0.000 0.864 5 G HN 0.404 nan 8.290 nan 0.000 0.486 6 F N 0.688 120.554 119.950 -0.139 0.000 2.493 6 F HA 0.575 5.102 4.527 -0.000 0.000 0.329 6 F C -0.190 175.730 175.800 0.200 0.000 1.126 6 F CA -0.755 57.175 58.000 -0.117 0.000 0.937 6 F CB 2.242 41.017 39.000 -0.375 0.000 1.146 6 F HN 0.134 nan 8.300 nan 0.000 0.442 7 I N 1.377 122.088 120.570 0.236 0.000 2.608 7 I HA 0.646 4.815 4.170 -0.001 0.000 0.295 7 I C 0.601 176.762 176.117 0.072 0.000 1.049 7 I CA -0.905 60.468 61.300 0.121 0.000 1.063 7 I CB 1.733 39.563 38.000 -0.284 0.000 1.248 7 I HN 0.734 nan 8.210 nan 0.000 0.424 8 G N 3.861 112.616 108.800 -0.074 0.000 2.198 8 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.260 8 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.260 8 G C 0.560 175.427 174.900 -0.055 0.000 1.025 8 G CA 0.617 45.625 45.100 -0.153 0.000 0.769 8 G HN 0.917 nan 8.290 nan 0.000 0.507 9 W N -0.772 120.578 121.300 0.084 0.000 2.937 9 W HA 0.228 4.888 4.660 -0.000 0.000 0.245 9 W C 1.296 177.860 176.519 0.075 0.000 1.306 9 W CA 0.463 57.887 57.345 0.131 0.000 1.470 9 W CB -0.453 29.168 29.460 0.268 0.000 1.132 9 W HN 0.362 nan 8.180 nan 0.000 0.675 10 R N 0.608 120.763 120.500 -0.575 0.000 2.334 10 R HA 0.179 4.519 4.340 -0.001 0.000 0.216 10 R C 1.598 177.758 176.300 -0.232 0.000 0.905 10 R CA 0.330 56.142 56.100 -0.481 0.000 1.064 10 R CB 0.201 30.031 30.300 -0.783 0.000 1.046 10 R HN 0.034 nan 8.270 nan 0.000 0.508 11 G N 0.341 109.039 108.800 -0.170 0.000 2.588 11 G HA2 0.004 3.964 3.960 -0.001 0.000 0.278 11 G HA3 0.004 3.964 3.960 -0.001 0.000 0.278 11 G C 0.617 175.491 174.900 -0.044 0.000 1.307 11 G CA -0.524 44.518 45.100 -0.097 0.000 1.016 11 G HN 0.034 nan 8.290 nan 0.000 0.503 12 M N -0.763 118.821 119.600 -0.028 0.000 2.077 12 M HA -0.093 4.387 4.480 -0.001 0.000 0.261 12 M C 2.484 178.787 176.300 0.005 0.000 1.070 12 M CA 1.541 56.835 55.300 -0.010 0.000 1.125 12 M CB -0.319 32.277 32.600 -0.007 0.000 1.339 12 M HN 0.244 nan 8.290 nan 0.000 0.409 13 V N 0.529 120.449 119.914 0.009 0.000 2.295 13 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 13 V C 2.601 178.718 176.094 0.039 0.000 1.049 13 V CA 2.137 64.448 62.300 0.018 0.000 1.024 13 V CB -1.766 30.070 31.823 0.022 0.000 0.648 13 V HN 0.762 nan 8.190 nan 0.000 0.447 14 G N -0.727 108.106 108.800 0.054 0.000 2.469 14 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.219 14 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.219 14 G C 1.866 176.851 174.900 0.141 0.000 1.150 14 G CA 1.304 46.476 45.100 0.119 0.000 0.763 14 G HN 0.506 nan 8.290 nan 0.000 0.561 15 S N -0.237 115.515 115.700 0.087 0.000 2.368 15 S HA -0.110 4.359 4.470 -0.001 0.000 0.225 15 S C 2.528 177.170 174.600 0.069 0.000 1.030 15 S CA 1.185 59.437 58.200 0.087 0.000 0.999 15 S CB -0.241 62.982 63.200 0.039 0.000 0.844 15 S HN 0.198 nan 8.310 nan 0.000 0.459 16 V N 1.881 121.818 119.914 0.039 0.000 2.343 16 V HA -0.138 3.982 4.120 -0.001 0.000 0.247 16 V C 2.232 178.334 176.094 0.013 0.000 1.051 16 V CA 1.532 63.839 62.300 0.011 0.000 1.036 16 V CB -0.674 31.140 31.823 -0.014 0.000 0.654 16 V HN 0.388 nan 8.190 nan 0.000 0.451 17 L N -0.418 120.827 121.223 0.037 0.000 1.994 17 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 17 L C 2.359 179.270 176.870 0.067 0.000 1.071 17 L CA 2.162 57.025 54.840 0.039 0.000 0.745 17 L CB -0.608 41.503 42.059 0.086 0.000 0.892 17 L HN 0.157 nan 8.230 nan 0.000 0.431 18 M N -0.510 119.176 119.600 0.143 0.000 2.108 18 M HA -0.206 4.274 4.480 -0.001 0.000 0.261 18 M C 2.012 178.410 176.300 0.163 0.000 1.066 18 M CA 1.630 57.055 55.300 0.209 0.000 1.107 18 M CB -1.491 31.254 32.600 0.242 0.000 1.356 18 M HN 0.323 nan 8.290 nan 0.000 0.406 19 D N -0.200 120.256 120.400 0.093 0.000 2.097 19 D HA -0.118 4.522 4.640 -0.001 0.000 0.195 19 D C 2.207 178.529 176.300 0.036 0.000 0.989 19 D CA 0.948 54.983 54.000 0.059 0.000 0.827 19 D CB -0.266 40.552 40.800 0.031 0.000 0.966 19 D HN 0.204 nan 8.370 nan 0.000 0.456 20 R N 0.191 120.690 120.500 -0.001 0.000 2.105 20 R HA -0.016 4.324 4.340 -0.001 0.000 0.239 20 R C 2.380 178.654 176.300 -0.044 0.000 1.135 20 R CA 0.590 56.665 56.100 -0.042 0.000 0.967 20 R CB -0.586 29.657 30.300 -0.096 0.000 0.861 20 R HN 0.345 nan 8.270 nan 0.000 0.442 21 M N -0.026 119.545 119.600 -0.048 0.000 2.117 21 M HA -0.132 4.348 4.480 -0.001 0.000 0.262 21 M C 2.215 178.509 176.300 -0.010 0.000 1.065 21 M CA 1.563 56.771 55.300 -0.154 0.000 1.114 21 M CB -0.129 32.211 32.600 -0.434 0.000 1.361 21 M HN 0.026 nan 8.290 nan 0.000 0.408 22 S N 0.098 115.903 115.700 0.176 0.000 2.355 22 S HA -0.152 4.318 4.470 -0.001 0.000 0.222 22 S C 1.761 176.411 174.600 0.084 0.000 1.031 22 S CA 1.062 59.383 58.200 0.201 0.000 0.993 22 S CB -0.320 62.968 63.200 0.148 0.000 0.859 22 S HN 0.492 nan 8.310 nan 0.000 0.453 23 Q N 0.474 120.301 119.800 0.046 0.000 2.152 23 Q HA -0.134 4.206 4.340 -0.001 0.000 0.206 23 Q C 1.232 177.241 176.000 0.016 0.000 0.985 23 Q CA 1.051 56.867 55.803 0.022 0.000 0.863 23 Q CB -0.085 28.658 28.738 0.008 0.000 0.904 23 Q HN 0.410 nan 8.270 nan 0.000 0.422 24 E N -0.108 120.093 120.200 0.001 0.000 2.463 24 E HA 0.046 4.396 4.350 -0.001 0.000 0.193 24 E C -0.356 176.241 176.600 -0.006 0.000 1.041 24 E CA -0.078 56.317 56.400 -0.008 0.000 0.879 24 E CB 0.175 29.856 29.700 -0.032 0.000 0.997 24 E HN 0.304 nan 8.360 nan 0.000 0.478 25 N N 1.595 120.307 118.700 0.020 0.000 2.725 25 N HA -0.170 4.569 4.740 -0.001 0.000 0.249 25 N C 0.100 175.613 175.510 0.005 0.000 1.103 25 N CA 0.833 53.910 53.050 0.044 0.000 0.707 25 N CB -0.705 37.803 38.487 0.035 0.000 1.043 25 N HN 0.099 nan 8.380 nan 0.000 0.553 26 D N -0.805 119.540 120.400 -0.091 0.000 2.218 26 D HA -0.084 4.555 4.640 -0.001 0.000 0.204 26 D C 1.355 177.526 176.300 -0.215 0.000 0.976 26 D CA 0.973 54.852 54.000 -0.201 0.000 0.853 26 D CB -0.153 40.443 40.800 -0.341 0.000 0.939 26 D HN 0.519 nan 8.370 nan 0.000 0.481 27 F N 0.845 120.784 119.950 -0.019 0.000 2.604 27 F HA -0.024 4.502 4.527 -0.001 0.000 0.298 27 F C 2.303 178.100 175.800 -0.005 0.000 1.131 27 F CA 0.433 58.422 58.000 -0.018 0.000 1.457 27 F CB 0.114 39.086 39.000 -0.045 0.000 1.095 27 F HN -0.158 nan 8.300 nan 0.000 0.574 28 E N 0.419 120.701 120.200 0.136 0.000 2.274 28 E HA -0.101 4.249 4.350 -0.001 0.000 0.194 28 E C 0.744 177.376 176.600 0.054 0.000 0.996 28 E CA 0.701 57.151 56.400 0.084 0.000 0.840 28 E CB -0.352 29.381 29.700 0.055 0.000 0.772 28 E HN 0.498 nan 8.360 nan 0.000 0.491 29 N N 0.415 119.136 118.700 0.036 0.000 2.235 29 N HA 0.074 4.813 4.740 -0.001 0.000 0.209 29 N C 0.044 175.569 175.510 0.025 0.000 1.122 29 N CA 0.041 53.101 53.050 0.018 0.000 0.845 29 N CB 0.537 39.019 38.487 -0.007 0.000 1.004 29 N HN 0.010 nan 8.380 nan 0.000 0.499 30 L N -3.200 118.057 121.223 0.057 0.000 2.765 30 L HA 0.503 4.842 4.340 -0.001 0.000 0.263 30 L C -1.525 175.411 176.870 0.110 0.000 1.068 30 L CA -0.807 54.076 54.840 0.072 0.000 0.903 30 L CB 1.493 43.594 42.059 0.069 0.000 1.512 30 L HN -0.103 nan 8.230 nan 0.000 0.404 31 N N 2.667 121.430 118.700 0.105 0.000 2.527 31 N HA 0.434 5.174 4.740 -0.001 0.000 0.236 31 N C -2.700 172.898 175.510 0.147 0.000 0.999 31 N CA -1.338 51.777 53.050 0.109 0.000 0.935 31 N CB 1.709 40.243 38.487 0.078 0.000 1.132 31 N HN 0.487 nan 8.380 nan 0.000 0.511 32 P HA 0.166 nan 4.420 nan 0.000 0.292 32 P C -0.911 176.421 177.300 0.055 0.000 1.287 32 P CA -0.348 62.870 63.100 0.196 0.000 0.800 32 P CB 1.844 33.664 31.700 0.200 0.000 0.945 33 V N 4.992 124.898 119.914 -0.015 0.000 2.407 33 V HA 0.339 4.459 4.120 -0.001 0.000 0.291 33 V C -0.199 175.785 176.094 -0.183 0.000 1.018 33 V CA -0.429 61.843 62.300 -0.046 0.000 0.842 33 V CB 0.828 32.671 31.823 0.033 0.000 0.996 33 V HN 0.349 nan 8.190 nan 0.000 0.426 34 F N 4.663 124.524 119.950 -0.148 0.000 2.404 34 F HA 0.703 5.229 4.527 -0.001 0.000 0.339 34 F C -0.040 175.678 175.800 -0.136 0.000 1.105 34 F CA -0.430 57.486 58.000 -0.140 0.000 1.087 34 F CB 1.030 39.714 39.000 -0.527 0.000 1.143 34 F HN 0.280 nan 8.300 nan 0.000 0.491 35 F N 0.306 120.460 119.950 0.340 0.000 2.557 35 F HA 0.708 5.235 4.527 -0.000 0.000 0.336 35 F C 0.335 176.307 175.800 0.288 0.000 1.058 35 F CA -0.788 57.350 58.000 0.230 0.000 0.988 35 F CB 2.135 41.173 39.000 0.064 0.000 1.275 35 F HN 0.314 nan 8.300 nan 0.000 0.488 36 T N -1.448 113.269 114.554 0.272 0.000 2.868 36 T HA 0.358 4.708 4.350 -0.001 0.000 0.306 36 T C 0.307 174.993 174.700 -0.023 0.000 1.224 36 T CA -0.061 62.097 62.100 0.097 0.000 1.012 36 T CB 1.340 70.270 68.868 0.103 0.000 1.221 36 T HN 0.767 nan 8.240 nan 0.000 0.499 37 T N -0.258 114.244 114.554 -0.087 0.000 3.044 37 T HA 0.274 4.624 4.350 -0.001 0.000 0.250 37 T C 1.163 175.933 174.700 0.117 0.000 1.081 37 T CA 0.262 62.331 62.100 -0.052 0.000 1.040 37 T CB 0.047 68.899 68.868 -0.026 0.000 0.962 37 T HN 0.488 nan 8.240 nan 0.000 0.506 38 S N 0.635 116.369 115.700 0.057 0.000 2.584 38 S HA 0.171 4.640 4.470 -0.001 0.000 0.270 38 S C 0.777 175.430 174.600 0.088 0.000 1.346 38 S CA -0.401 57.838 58.200 0.064 0.000 1.018 38 S CB 0.907 64.121 63.200 0.024 0.000 0.899 38 S HN 0.511 nan 8.310 nan 0.000 0.542 39 Q N 0.981 120.828 119.800 0.078 0.000 2.217 39 Q HA 0.318 4.658 4.340 -0.001 0.000 0.217 39 Q C 0.510 176.539 176.000 0.049 0.000 0.844 39 Q CA -0.285 55.563 55.803 0.075 0.000 0.957 39 Q CB 0.782 29.566 28.738 0.076 0.000 1.127 39 Q HN 0.778 nan 8.270 nan 0.000 0.503 56 K N 0.775 121.025 120.400 -0.250 0.000 2.177 56 K HA 0.680 5.000 4.320 -0.001 0.000 0.238 56 K C -0.312 176.298 176.600 0.017 0.000 1.015 56 K CA -0.745 55.400 56.287 -0.238 0.000 0.922 56 K CB 1.566 33.702 32.500 -0.607 0.000 1.127 56 K HN 0.495 nan 8.250 nan 0.000 0.469 57 S N 0.383 116.189 115.700 0.176 0.000 2.499 57 S HA 0.206 4.676 4.470 -0.001 0.000 0.275 57 S C 0.852 175.671 174.600 0.365 0.000 1.257 57 S CA -0.491 57.853 58.200 0.240 0.000 1.050 57 S CB 0.883 64.218 63.200 0.227 0.000 0.937 57 S HN 0.638 nan 8.310 nan 0.000 0.490 58 A N 4.688 127.562 122.820 0.091 0.000 2.178 58 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 58 A C 0.944 178.448 177.584 -0.134 0.000 1.157 58 A CA 1.024 52.986 52.037 -0.125 0.000 0.689 58 A CB -0.539 18.171 19.000 -0.482 0.000 0.787 58 A HN 0.841 nan 8.150 nan 0.000 0.465 59 F N -0.456 119.650 119.950 0.260 0.000 2.721 59 F HA 0.177 4.703 4.527 -0.000 0.000 0.301 59 F C 0.708 176.572 175.800 0.106 0.000 1.096 59 F CA -1.024 57.079 58.000 0.173 0.000 1.308 59 F CB 0.148 39.236 39.000 0.147 0.000 1.086 59 F HN 0.088 nan 8.300 nan 0.000 0.587 60 D N 2.239 122.794 120.400 0.258 0.000 2.398 60 D HA 0.008 4.648 4.640 -0.001 0.000 0.250 60 D C 1.581 177.949 176.300 0.112 0.000 1.287 60 D CA 0.218 54.332 54.000 0.191 0.000 0.992 60 D CB 0.365 41.295 40.800 0.217 0.000 1.071 60 D HN 0.029 nan 8.370 nan 0.000 0.514 61 I N 2.728 123.340 120.570 0.070 0.000 2.264 61 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 61 I C 2.041 178.155 176.117 -0.005 0.000 1.111 61 I CA 0.994 62.294 61.300 -0.000 0.000 1.382 61 I CB -0.561 37.436 38.000 -0.005 0.000 1.060 61 I HN 0.422 nan 8.210 nan 0.000 0.418 62 E N 0.646 120.870 120.200 0.039 0.000 2.106 62 E HA -0.180 4.170 4.350 -0.001 0.000 0.192 62 E C 2.047 178.688 176.600 0.068 0.000 0.984 62 E CA 0.756 57.185 56.400 0.048 0.000 0.806 62 E CB -0.114 29.620 29.700 0.057 0.000 0.750 62 E HN 0.466 nan 8.360 nan 0.000 0.458 63 E N 0.420 120.685 120.200 0.110 0.000 2.152 63 E HA -0.056 4.294 4.350 -0.001 0.000 0.192 63 E C 2.263 178.973 176.600 0.184 0.000 0.983 63 E CA 0.363 56.874 56.400 0.185 0.000 0.818 63 E CB -0.018 29.863 29.700 0.302 0.000 0.758 63 E HN 0.292 nan 8.360 nan 0.000 0.467 64 L N 0.287 121.521 121.223 0.017 0.000 2.240 64 L HA -0.055 4.285 4.340 -0.001 0.000 0.211 64 L C 2.303 179.004 176.870 -0.281 0.000 1.106 64 L CA 0.672 55.382 54.840 -0.217 0.000 0.793 64 L CB -0.147 41.681 42.059 -0.385 0.000 0.927 64 L HN -0.041 nan 8.230 nan 0.000 0.446 65 K N 0.571 120.875 120.400 -0.160 0.000 2.147 65 K HA -0.175 4.145 4.320 -0.001 0.000 0.205 65 K C 1.854 178.546 176.600 0.152 0.000 1.049 65 K CA 1.231 57.488 56.287 -0.051 0.000 0.936 65 K CB 0.005 32.539 32.500 0.056 0.000 0.722 65 K HN 0.179 nan 8.250 nan 0.000 0.446 66 K N 0.446 120.918 120.400 0.120 0.000 2.486 66 K HA 0.044 4.364 4.320 -0.001 0.000 0.194 66 K C 0.182 176.896 176.600 0.190 0.000 1.033 66 K CA 0.310 56.690 56.287 0.156 0.000 1.004 66 K CB 0.102 32.675 32.500 0.123 0.000 0.798 66 K HN 0.027 nan 8.250 nan 0.000 0.495 67 L N 1.168 122.513 121.223 0.204 0.000 2.350 67 L HA 0.071 4.411 4.340 -0.001 0.000 0.275 67 L C 0.786 177.901 176.870 0.409 0.000 1.099 67 L CA -0.397 54.581 54.840 0.230 0.000 0.808 67 L CB 1.007 43.138 42.059 0.120 0.000 1.149 67 L HN 0.058 nan 8.230 nan 0.000 0.442 68 D N 2.350 122.921 120.400 0.286 0.000 2.249 68 D HA 0.179 4.819 4.640 -0.001 0.000 0.205 68 D C 0.338 176.856 176.300 0.364 0.000 0.962 68 D CA 1.292 55.461 54.000 0.282 0.000 0.860 68 D CB 0.665 41.564 40.800 0.164 0.000 0.955 68 D HN 0.292 nan 8.370 nan 0.000 0.505 69 I N 0.854 121.596 120.570 0.287 0.000 2.722 69 I HA 0.230 4.399 4.170 -0.001 0.000 0.295 69 I C -1.029 175.122 176.117 0.056 0.000 1.161 69 I CA -0.807 60.639 61.300 0.244 0.000 1.032 69 I CB 3.092 41.118 38.000 0.045 0.000 1.244 69 I HN -0.322 nan 8.210 nan 0.000 0.421 70 I N 5.609 126.193 120.570 0.023 0.000 2.406 70 I HA 0.403 4.573 4.170 -0.001 0.000 0.290 70 I C -0.432 175.397 176.117 -0.481 0.000 0.999 70 I CA -0.774 60.325 61.300 -0.335 0.000 1.124 70 I CB 1.900 39.598 38.000 -0.504 0.000 1.289 70 I HN 0.147 nan 8.210 nan 0.000 0.441 71 V N 5.155 124.719 119.914 -0.584 0.000 2.349 71 V HA 0.396 4.515 4.120 -0.001 0.000 0.284 71 V C 0.151 176.027 176.094 -0.364 0.000 1.014 71 V CA -0.410 61.603 62.300 -0.478 0.000 0.826 71 V CB 1.672 33.168 31.823 -0.546 0.000 1.009 71 V HN 0.836 nan 8.190 nan 0.000 0.431 72 T N 3.758 118.103 114.554 -0.349 0.000 2.807 72 T HA 0.357 4.707 4.350 -0.001 0.000 0.279 72 T C 0.127 174.793 174.700 -0.057 0.000 0.993 72 T CA -0.212 61.767 62.100 -0.202 0.000 0.970 72 T CB 1.002 69.732 68.868 -0.231 0.000 0.950 72 T HN 0.693 nan 8.240 nan 0.000 0.441 73 C N 4.173 123.470 119.300 -0.006 0.000 3.115 73 C HA 0.273 4.732 4.460 -0.001 0.000 0.277 73 C C 1.928 176.918 174.990 0.001 0.000 1.460 73 C CA -0.512 58.521 59.018 0.025 0.000 1.789 73 C CB -0.678 27.093 27.740 0.051 0.000 2.674 73 C HN 0.964 nan 8.230 nan 0.000 0.582 74 Q N 2.054 121.830 119.800 -0.038 0.000 2.046 74 Q HA 0.286 4.626 4.340 -0.001 0.000 0.200 74 Q C 1.037 177.057 176.000 0.033 0.000 0.975 74 Q CA 2.130 57.877 55.803 -0.094 0.000 0.836 74 Q CB -0.037 28.476 28.738 -0.376 0.000 0.896 74 Q HN 0.680 nan 8.270 nan 0.000 0.428 75 G N -3.564 105.315 108.800 0.132 0.000 2.339 75 G HA2 0.225 4.185 3.960 -0.001 0.000 0.381 75 G HA3 0.225 4.185 3.960 -0.001 0.000 0.381 75 G C 0.393 175.418 174.900 0.207 0.000 1.400 75 G CA -0.228 44.960 45.100 0.146 0.000 1.002 75 G HN 0.311 nan 8.290 nan 0.000 0.633 76 G N -0.354 108.536 108.800 0.150 0.000 2.446 76 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.217 76 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.217 76 G C 1.260 176.242 174.900 0.137 0.000 1.168 76 G CA 2.070 47.249 45.100 0.131 0.000 0.771 76 G HN 0.717 nan 8.290 nan 0.000 0.551 77 D N -0.218 120.265 120.400 0.139 0.000 2.104 77 D HA -0.175 4.465 4.640 -0.001 0.000 0.194 77 D C 1.999 178.409 176.300 0.184 0.000 0.994 77 D CA 1.289 55.369 54.000 0.133 0.000 0.830 77 D CB -0.511 40.366 40.800 0.128 0.000 0.959 77 D HN 0.389 nan 8.370 nan 0.000 0.452 78 Y N 2.034 122.425 120.300 0.151 0.000 2.114 78 Y HA -0.278 4.272 4.550 -0.001 0.000 0.282 78 Y C 2.448 178.487 175.900 0.230 0.000 1.165 78 Y CA 2.086 60.313 58.100 0.211 0.000 1.148 78 Y CB -0.689 37.874 38.460 0.172 0.000 0.972 78 Y HN -0.109 nan 8.280 nan 0.000 0.504 79 T N 1.102 115.777 114.554 0.201 0.000 2.622 79 T HA -0.221 4.129 4.350 -0.001 0.000 0.266 79 T C 1.644 176.330 174.700 -0.024 0.000 1.047 79 T CA 1.703 63.894 62.100 0.152 0.000 1.159 79 T CB -0.473 68.528 68.868 0.222 0.000 0.863 79 T HN 0.416 nan 8.240 nan 0.000 0.422 80 N N 0.842 119.547 118.700 0.007 0.000 2.258 80 N HA -0.123 4.617 4.740 -0.001 0.000 0.187 80 N C 1.863 177.356 175.510 -0.028 0.000 1.012 80 N CA 1.002 54.047 53.050 -0.009 0.000 0.870 80 N CB -0.217 38.275 38.487 0.009 0.000 0.977 80 N HN 0.647 nan 8.380 nan 0.000 0.434 81 E N 0.442 120.618 120.200 -0.040 0.000 2.030 81 E HA -0.030 4.320 4.350 -0.001 0.000 0.189 81 E C 1.755 178.297 176.600 -0.096 0.000 0.974 81 E CA 0.540 56.910 56.400 -0.050 0.000 0.807 81 E CB 0.199 29.897 29.700 -0.004 0.000 0.771 81 E HN -0.041 nan 8.360 nan 0.000 0.451 82 V N 0.737 120.535 119.914 -0.193 0.000 2.407 82 V HA -0.189 3.931 4.120 -0.001 0.000 0.245 82 V C 2.147 178.118 176.094 -0.205 0.000 1.041 82 V CA 1.671 63.850 62.300 -0.203 0.000 1.040 82 V CB -0.700 30.880 31.823 -0.404 0.000 0.671 82 V HN 0.391 nan 8.190 nan 0.000 0.455 83 Y N 2.754 122.766 120.300 -0.479 0.000 2.069 83 Y HA -0.203 4.346 4.550 -0.001 0.000 0.278 83 Y C 0.221 175.873 175.900 -0.413 0.000 1.175 83 Y CA 2.618 60.258 58.100 -0.767 0.000 1.134 83 Y CB -1.664 36.191 38.460 -1.010 0.000 0.965 83 Y HN 0.293 nan 8.280 nan 0.000 0.498 84 P HA -0.196 nan 4.420 nan 0.000 0.215 84 P C 0.972 178.119 177.300 -0.256 0.000 1.153 84 P CA 2.211 65.119 63.100 -0.320 0.000 0.853 84 P CB -0.097 31.514 31.700 -0.148 0.000 0.788 85 K N -0.624 119.667 120.400 -0.182 0.000 2.032 85 K HA -0.144 4.176 4.320 -0.001 0.000 0.209 85 K C 2.311 178.834 176.600 -0.129 0.000 1.048 85 K CA 1.068 57.280 56.287 -0.124 0.000 0.927 85 K CB -0.930 31.521 32.500 -0.083 0.000 0.712 85 K HN 0.063 nan 8.250 nan 0.000 0.441 86 L N 2.079 123.199 121.223 -0.172 0.000 1.989 86 L HA -0.178 4.162 4.340 -0.001 0.000 0.211 86 L C 1.839 178.676 176.870 -0.055 0.000 1.071 86 L CA 1.897 56.650 54.840 -0.146 0.000 0.749 86 L CB -0.333 41.580 42.059 -0.243 0.000 0.890 86 L HN -0.020 nan 8.230 nan 0.000 0.431 87 K N 0.027 120.315 120.400 -0.187 0.000 2.280 87 K HA 0.009 4.329 4.320 -0.001 0.000 0.202 87 K C 1.972 178.510 176.600 -0.103 0.000 1.047 87 K CA 1.127 57.325 56.287 -0.150 0.000 0.942 87 K CB -0.735 31.490 32.500 -0.458 0.000 0.739 87 K HN 0.492 nan 8.250 nan 0.000 0.457 88 A N 1.168 123.919 122.820 -0.115 0.000 2.119 88 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 88 A C 2.083 179.648 177.584 -0.032 0.000 1.153 88 A CA 1.713 53.704 52.037 -0.077 0.000 0.692 88 A CB -0.570 18.380 19.000 -0.082 0.000 0.799 88 A HN 0.443 nan 8.150 nan 0.000 0.458 89 T N -5.199 109.354 114.554 -0.002 0.000 3.081 89 T HA 0.397 4.747 4.350 -0.001 0.000 0.255 89 T C 1.381 176.110 174.700 0.049 0.000 1.113 89 T CA 1.178 63.295 62.100 0.027 0.000 1.082 89 T CB 0.231 69.127 68.868 0.045 0.000 0.939 89 T HN 1.539 nan 8.240 nan 0.000 0.506 90 G N 0.433 109.264 108.800 0.052 0.000 2.179 90 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.220 90 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.220 90 G C -0.125 174.821 174.900 0.077 0.000 0.990 90 G CA -0.301 44.821 45.100 0.037 0.000 0.646 90 G HN 0.667 nan 8.290 nan 0.000 0.517 91 W N 2.138 123.409 121.300 -0.049 0.000 2.493 91 W HA 0.394 5.054 4.660 -0.001 0.000 0.337 91 W C 0.624 177.118 176.519 -0.040 0.000 1.234 91 W CA 0.894 58.223 57.345 -0.027 0.000 1.286 91 W CB 0.551 30.003 29.460 -0.014 0.000 1.188 91 W HN 0.125 nan 8.180 nan 0.000 0.564 92 D N 3.783 123.819 120.400 -0.607 0.000 2.395 92 D HA 0.187 4.827 4.640 -0.001 0.000 0.213 92 D C 1.115 176.830 176.300 -0.976 0.000 1.110 92 D CA 0.379 53.995 54.000 -0.640 0.000 0.835 92 D CB -0.184 40.421 40.800 -0.324 0.000 0.965 92 D HN 0.377 nan 8.370 nan 0.000 0.505 93 G N -0.603 107.104 108.800 -1.821 0.000 2.516 93 G HA2 0.233 4.192 3.960 -0.001 0.000 0.276 93 G HA3 0.233 4.192 3.960 -0.001 0.000 0.276 93 G C -0.708 173.563 174.900 -1.049 0.000 1.390 93 G CA -0.382 43.998 45.100 -1.200 0.000 1.050 93 G HN 0.117 nan 8.290 nan 0.000 0.519 94 Y N -1.090 119.115 120.300 -0.159 0.000 2.323 94 Y HA 0.385 4.935 4.550 -0.000 0.000 0.331 94 Y C -0.203 176.036 175.900 0.564 0.000 1.092 94 Y CA -0.616 57.586 58.100 0.169 0.000 1.150 94 Y CB 1.626 40.178 38.460 0.155 0.000 1.200 94 Y HN 0.465 nan 8.280 nan 0.000 0.472 95 W N 5.629 127.244 121.300 0.524 0.000 2.336 95 W HA 0.602 5.262 4.660 -0.000 0.000 0.315 95 W C -1.993 174.710 176.519 0.305 0.000 1.016 95 W CA -0.987 56.635 57.345 0.462 0.000 1.318 95 W CB 1.270 31.047 29.460 0.528 0.000 1.247 95 W HN 0.221 nan 8.180 nan 0.000 0.414 96 V N 6.695 126.626 119.914 0.029 0.000 2.350 96 V HA 0.193 4.313 4.120 -0.001 0.000 0.276 96 V C -0.218 175.799 176.094 -0.129 0.000 1.028 96 V CA -0.133 62.194 62.300 0.044 0.000 0.860 96 V CB 1.301 33.111 31.823 -0.022 0.000 0.990 96 V HN 0.376 nan 8.190 nan 0.000 0.453 97 D N 3.155 123.593 120.400 0.064 0.000 2.498 97 D HA 0.647 5.287 4.640 -0.001 0.000 0.247 97 D C 0.470 176.824 176.300 0.091 0.000 1.070 97 D CA -0.244 53.805 54.000 0.080 0.000 0.842 97 D CB 2.645 43.627 40.800 0.302 0.000 1.361 97 D HN 0.470 nan 8.370 nan 0.000 0.484 98 A N 2.410 125.271 122.820 0.068 0.000 2.044 98 A HA 0.441 4.761 4.320 -0.001 0.000 0.213 98 A C 1.057 178.692 177.584 0.084 0.000 1.169 98 A CA 0.655 52.732 52.037 0.066 0.000 0.724 98 A CB -0.055 18.974 19.000 0.048 0.000 0.840 98 A HN 0.563 nan 8.150 nan 0.000 0.463 99 A N 0.352 123.234 122.820 0.104 0.000 2.386 99 A HA 0.435 4.755 4.320 -0.001 0.000 0.248 99 A C 1.425 179.071 177.584 0.103 0.000 1.082 99 A CA 0.379 52.480 52.037 0.108 0.000 0.789 99 A CB 0.157 19.239 19.000 0.136 0.000 1.025 99 A HN 0.916 nan 8.150 nan 0.000 0.490 100 S N 1.173 116.928 115.700 0.090 0.000 2.562 100 S HA 0.145 4.615 4.470 -0.001 0.000 0.221 100 S C 1.758 176.396 174.600 0.063 0.000 0.975 100 S CA 0.788 59.038 58.200 0.083 0.000 0.918 100 S CB -0.581 62.674 63.200 0.091 0.000 0.772 100 S HN 1.369 nan 8.310 nan 0.000 0.531 101 A N 3.045 125.898 122.820 0.054 0.000 1.882 101 A HA -0.147 4.172 4.320 -0.001 0.000 0.220 101 A C 2.098 179.669 177.584 -0.021 0.000 1.253 101 A CA 2.127 54.174 52.037 0.017 0.000 0.664 101 A CB -1.123 17.881 19.000 0.008 0.000 0.838 101 A HN 0.623 nan 8.150 nan 0.000 0.460 102 L N -1.512 119.675 121.223 -0.061 0.000 2.591 102 L HA 0.015 4.355 4.340 -0.001 0.000 0.228 102 L C 2.096 178.946 176.870 -0.033 0.000 1.133 102 L CA 0.373 55.152 54.840 -0.102 0.000 0.880 102 L CB -0.382 41.524 42.059 -0.255 0.000 1.033 102 L HN 0.391 nan 8.230 nan 0.000 0.450 103 K N 0.713 121.122 120.400 0.016 0.000 2.117 103 K HA -0.215 4.105 4.320 -0.001 0.000 0.215 103 K C 1.153 177.777 176.600 0.041 0.000 1.053 103 K CA 1.664 57.977 56.287 0.043 0.000 0.935 103 K CB -0.046 32.502 32.500 0.080 0.000 0.719 103 K HN 0.233 nan 8.250 nan 0.000 0.460 104 M N 1.093 120.728 119.600 0.058 0.000 2.738 104 M HA 0.158 4.638 4.480 -0.001 0.000 0.295 104 M C -0.627 175.693 176.300 0.034 0.000 1.266 104 M CA -0.018 55.323 55.300 0.068 0.000 0.985 104 M CB 0.357 33.043 32.600 0.143 0.000 1.365 104 M HN -0.221 nan 8.290 nan 0.000 0.492 105 K N 0.908 121.308 120.400 0.000 0.000 2.118 105 K HA 0.218 4.538 4.320 -0.001 0.000 0.267 105 K C 0.782 177.370 176.600 -0.021 0.000 0.991 105 K CA -0.217 56.062 56.287 -0.013 0.000 0.916 105 K CB 0.995 33.475 32.500 -0.033 0.000 1.041 105 K HN -0.033 nan 8.250 nan 0.000 0.455 106 D N 0.903 121.293 120.400 -0.016 0.000 2.219 106 D HA -0.144 4.495 4.640 -0.001 0.000 0.205 106 D C 0.437 176.712 176.300 -0.043 0.000 0.970 106 D CA 1.167 55.153 54.000 -0.022 0.000 0.851 106 D CB 0.147 40.939 40.800 -0.014 0.000 0.943 106 D HN 0.611 nan 8.370 nan 0.000 0.488 107 D N -0.317 120.055 120.400 -0.046 0.000 2.325 107 D HA 0.198 4.837 4.640 -0.001 0.000 0.225 107 D C 0.065 176.296 176.300 -0.114 0.000 1.096 107 D CA -0.201 53.759 54.000 -0.067 0.000 0.844 107 D CB -0.021 40.755 40.800 -0.040 0.000 0.925 107 D HN -0.004 nan 8.370 nan 0.000 0.513 108 A N 0.239 122.987 122.820 -0.121 0.000 2.401 108 A HA 0.700 5.019 4.320 -0.001 0.000 0.310 108 A C -0.721 176.754 177.584 -0.180 0.000 1.075 108 A CA -0.794 51.138 52.037 -0.176 0.000 0.746 108 A CB 1.384 20.314 19.000 -0.115 0.000 1.277 108 A HN 0.179 nan 8.150 nan 0.000 0.425 109 I N 1.772 122.177 120.570 -0.276 0.000 2.530 109 I HA 0.377 4.546 4.170 -0.001 0.000 0.297 109 I C -0.686 175.417 176.117 -0.024 0.000 1.011 109 I CA -0.589 60.617 61.300 -0.157 0.000 1.107 109 I CB 2.014 39.901 38.000 -0.189 0.000 1.285 109 I HN 0.509 nan 8.210 nan 0.000 0.436 110 I N 5.985 126.567 120.570 0.020 0.000 2.312 110 I HA 0.180 4.349 4.170 -0.001 0.000 0.291 110 I C 0.026 176.196 176.117 0.088 0.000 1.031 110 I CA -0.752 60.581 61.300 0.056 0.000 1.293 110 I CB 1.230 39.243 38.000 0.022 0.000 1.403 110 I HN 0.274 nan 8.210 nan 0.000 0.484 111 V N 5.997 125.996 119.914 0.141 0.000 2.465 111 V HA 0.531 4.650 4.120 -0.001 0.000 0.279 111 V C -0.374 175.768 176.094 0.082 0.000 1.045 111 V CA -0.422 61.958 62.300 0.133 0.000 0.938 111 V CB 1.547 33.470 31.823 0.167 0.000 0.986 111 V HN 0.654 nan 8.190 nan 0.000 0.467 112 L N 4.407 125.664 121.223 0.056 0.000 2.399 112 L HA 0.353 4.693 4.340 -0.001 0.000 0.266 112 L C 0.875 177.768 176.870 0.039 0.000 1.516 112 L CA 0.673 55.543 54.840 0.050 0.000 0.715 112 L CB 0.530 42.590 42.059 0.003 0.000 0.933 112 L HN 0.956 nan 8.230 nan 0.000 0.524 113 D N -0.215 120.221 120.400 0.061 0.000 2.218 113 D HA -0.232 4.408 4.640 -0.001 0.000 0.194 113 D C -1.117 175.233 176.300 0.083 0.000 1.007 113 D CA 1.760 55.796 54.000 0.059 0.000 0.879 113 D CB -0.631 40.206 40.800 0.060 0.000 0.918 113 D HN 0.407 nan 8.370 nan 0.000 0.449 114 P HA -0.025 nan 4.420 nan 0.000 0.230 114 P C 1.063 178.451 177.300 0.147 0.000 1.158 114 P CA 0.635 63.810 63.100 0.125 0.000 0.769 114 P CB 0.289 32.037 31.700 0.080 0.000 0.807 115 V N -0.376 119.609 119.914 0.118 0.000 2.911 115 V HA 0.070 4.190 4.120 -0.001 0.000 0.237 115 V C 1.095 177.266 176.094 0.129 0.000 1.156 115 V CA 1.198 63.602 62.300 0.172 0.000 1.180 115 V CB -0.376 31.469 31.823 0.036 0.000 0.932 115 V HN 0.202 nan 8.190 nan 0.000 0.483 116 N N 0.175 118.863 118.700 -0.020 0.000 2.535 116 N HA 0.090 4.830 4.740 -0.001 0.000 0.294 116 N C 0.946 176.287 175.510 -0.282 0.000 1.408 116 N CA -0.187 52.696 53.050 -0.277 0.000 0.927 116 N CB 0.744 39.088 38.487 -0.237 0.000 1.276 116 N HN 0.255 nan 8.380 nan 0.000 0.505 117 Q N 1.522 121.282 119.800 -0.068 0.000 2.096 117 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 117 Q C 1.768 177.763 176.000 -0.009 0.000 0.982 117 Q CA 1.946 57.752 55.803 0.006 0.000 0.850 117 Q CB -0.483 28.306 28.738 0.085 0.000 0.901 117 Q HN 0.667 nan 8.270 nan 0.000 0.422 118 H N -1.504 117.591 119.070 0.043 0.000 2.422 118 H HA -0.068 4.488 4.556 -0.001 0.000 0.298 118 H C 1.908 177.267 175.328 0.052 0.000 1.098 118 H CA 1.582 57.654 56.048 0.041 0.000 1.315 118 H CB -0.782 29.000 29.762 0.032 0.000 1.382 118 H HN 0.210 nan 8.280 nan 0.000 0.523 119 V N 1.646 121.345 119.914 -0.359 0.000 2.379 119 V HA -0.165 3.955 4.120 -0.001 0.000 0.245 119 V C 2.961 179.052 176.094 -0.005 0.000 1.044 119 V CA 1.365 63.572 62.300 -0.155 0.000 1.036 119 V CB -0.462 31.232 31.823 -0.215 0.000 0.664 119 V HN 0.254 nan 8.190 nan 0.000 0.453 120 I N -0.133 120.444 120.570 0.012 0.000 2.179 120 I HA -0.205 3.965 4.170 -0.001 0.000 0.242 120 I C 2.610 178.815 176.117 0.145 0.000 1.088 120 I CA 1.465 62.855 61.300 0.150 0.000 1.357 120 I CB -0.462 37.586 38.000 0.081 0.000 1.051 120 I HN 0.239 nan 8.210 nan 0.000 0.409 121 S N 0.377 116.125 115.700 0.081 0.000 2.351 121 S HA -0.190 4.280 4.470 -0.001 0.000 0.220 121 S C 1.953 176.611 174.600 0.097 0.000 1.035 121 S CA 1.280 59.528 58.200 0.080 0.000 1.031 121 S CB -0.276 62.966 63.200 0.069 0.000 0.928 121 S HN 0.389 nan 8.310 nan 0.000 0.433 122 E N 0.847 121.100 120.200 0.089 0.000 2.070 122 E HA -0.140 4.209 4.350 -0.001 0.000 0.197 122 E C 2.328 178.979 176.600 0.086 0.000 1.004 122 E CA 1.344 57.791 56.400 0.078 0.000 0.805 122 E CB -0.997 28.745 29.700 0.069 0.000 0.744 122 E HN 0.554 nan 8.360 nan 0.000 0.451 123 G N 1.159 110.023 108.800 0.106 0.000 2.440 123 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.218 123 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.218 123 G C 1.785 176.785 174.900 0.166 0.000 1.154 123 G CA 0.736 45.899 45.100 0.106 0.000 0.767 123 G HN 0.190 nan 8.290 nan 0.000 0.552 124 L N 0.096 121.467 121.223 0.245 0.000 2.046 124 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 124 L C 3.021 179.983 176.870 0.153 0.000 1.077 124 L CA 1.146 56.143 54.840 0.261 0.000 0.747 124 L CB -0.300 41.879 42.059 0.200 0.000 0.896 124 L HN 0.117 nan 8.230 nan 0.000 0.432 125 K N 0.576 121.040 120.400 0.106 0.000 1.991 125 K HA -0.244 4.076 4.320 -0.001 0.000 0.212 125 K C 1.971 178.603 176.600 0.054 0.000 1.049 125 K CA 1.453 57.782 56.287 0.070 0.000 0.932 125 K CB -0.583 31.951 32.500 0.056 0.000 0.717 125 K HN 0.230 nan 8.250 nan 0.000 0.441 126 K N 0.117 120.546 120.400 0.048 0.000 2.160 126 K HA -0.182 4.138 4.320 -0.001 0.000 0.206 126 K C 0.795 177.402 176.600 0.012 0.000 1.047 126 K CA 1.737 58.039 56.287 0.024 0.000 0.930 126 K CB -0.050 32.459 32.500 0.016 0.000 0.720 126 K HN 0.453 nan 8.250 nan 0.000 0.450 127 G N 0.178 108.996 108.800 0.029 0.000 2.148 127 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.157 127 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.157 127 G C -0.130 174.747 174.900 -0.038 0.000 1.012 127 G CA -0.164 44.935 45.100 -0.003 0.000 0.677 127 G HN 0.130 nan 8.290 nan 0.000 0.506 128 I N 0.814 121.380 120.570 -0.006 0.000 2.683 128 I HA 0.151 4.321 4.170 -0.001 0.000 0.286 128 I C 1.039 177.118 176.117 -0.062 0.000 1.175 128 I CA 0.644 61.886 61.300 -0.098 0.000 1.429 128 I CB 0.956 38.835 38.000 -0.201 0.000 1.371 128 I HN -0.001 nan 8.210 nan 0.000 0.569 129 K N 3.623 123.920 120.400 -0.172 0.000 2.402 129 K HA 0.184 4.504 4.320 -0.001 0.000 0.204 129 K C -0.019 176.633 176.600 0.086 0.000 1.056 129 K CA 0.195 56.343 56.287 -0.232 0.000 1.069 129 K CB 0.691 32.903 32.500 -0.481 0.000 0.888 129 K HN 0.504 nan 8.250 nan 0.000 0.546 130 T N 1.531 116.051 114.554 -0.056 0.000 2.815 130 T HA 0.530 4.880 4.350 -0.001 0.000 0.289 130 T C -0.912 173.649 174.700 -0.231 0.000 1.000 130 T CA -0.376 61.770 62.100 0.077 0.000 0.958 130 T CB 0.465 69.362 68.868 0.049 0.000 0.944 130 T HN -0.169 nan 8.240 nan 0.000 0.442 131 F N 2.121 122.198 119.950 0.212 0.000 2.507 131 F HA 0.677 5.204 4.527 -0.000 0.000 0.325 131 F C -0.125 175.750 175.800 0.126 0.000 1.116 131 F CA -0.993 57.090 58.000 0.139 0.000 0.930 131 F CB 1.736 40.808 39.000 0.120 0.000 1.146 131 F HN 0.184 nan 8.300 nan 0.000 0.447 132 V N 1.876 121.918 119.914 0.212 0.000 2.656 132 V HA 0.694 4.814 4.120 -0.001 0.000 0.307 132 V C 0.300 176.472 176.094 0.130 0.000 1.051 132 V CA -1.127 61.266 62.300 0.154 0.000 0.893 132 V CB 1.781 33.662 31.823 0.097 0.000 0.999 132 V HN 0.910 nan 8.190 nan 0.000 0.426 133 G N 2.074 110.940 108.800 0.109 0.000 2.483 133 G HA2 0.496 4.455 3.960 -0.001 0.000 0.248 133 G HA3 0.496 4.455 3.960 -0.001 0.000 0.248 133 G C 0.361 175.309 174.900 0.080 0.000 1.248 133 G CA 0.333 45.486 45.100 0.089 0.000 0.838 133 G HN 1.078 nan 8.290 nan 0.000 0.566 134 G N 0.129 108.973 108.800 0.072 0.000 2.528 134 G HA2 0.367 4.326 3.960 -0.001 0.000 0.289 134 G HA3 0.367 4.326 3.960 -0.001 0.000 0.289 134 G C 0.236 175.178 174.900 0.070 0.000 1.192 134 G CA -0.690 44.446 45.100 0.061 0.000 0.921 134 G HN 0.843 nan 8.290 nan 0.000 0.512 135 N N -1.015 117.727 118.700 0.070 0.000 2.356 135 N HA -0.057 4.683 4.740 -0.001 0.000 0.252 135 N C 1.757 177.327 175.510 0.100 0.000 1.241 135 N CA 0.422 53.525 53.050 0.090 0.000 0.861 135 N CB 0.498 39.036 38.487 0.086 0.000 1.075 135 N HN 0.569 nan 8.380 nan 0.000 0.461 136 C N 1.192 120.570 119.300 0.130 0.000 2.413 136 C HA -0.173 4.287 4.460 -0.001 0.000 0.277 136 C C 2.659 177.766 174.990 0.195 0.000 1.228 136 C CA 1.366 60.473 59.018 0.148 0.000 1.731 136 C CB -2.049 25.782 27.740 0.152 0.000 2.042 136 C HN 0.884 nan 8.230 nan 0.000 0.468 137 T N 0.515 115.213 114.554 0.240 0.000 2.720 137 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 137 T C 1.653 176.432 174.700 0.132 0.000 1.037 137 T CA 2.124 64.346 62.100 0.204 0.000 1.144 137 T CB -1.009 67.933 68.868 0.124 0.000 0.864 137 T HN 0.427 nan 8.240 nan 0.000 0.444 138 V N 1.696 121.658 119.914 0.080 0.000 2.358 138 V HA -0.140 3.979 4.120 -0.001 0.000 0.246 138 V C 3.108 179.195 176.094 -0.011 0.000 1.047 138 V CA 1.987 64.295 62.300 0.014 0.000 1.035 138 V CB -0.985 30.823 31.823 -0.026 0.000 0.658 138 V HN 0.534 nan 8.190 nan 0.000 0.452 139 S N 0.229 115.942 115.700 0.022 0.000 2.356 139 S HA -0.090 4.380 4.470 -0.001 0.000 0.223 139 S C 1.901 176.502 174.600 0.002 0.000 1.032 139 S CA 1.453 59.659 58.200 0.010 0.000 1.005 139 S CB -0.357 62.883 63.200 0.067 0.000 0.867 139 S HN 0.477 nan 8.310 nan 0.000 0.449 140 L N 0.850 122.110 121.223 0.061 0.000 2.191 140 L HA -0.083 4.256 4.340 -0.001 0.000 0.212 140 L C 2.501 179.414 176.870 0.072 0.000 1.103 140 L CA 1.012 55.893 54.840 0.068 0.000 0.769 140 L CB -0.481 41.649 42.059 0.118 0.000 0.908 140 L HN 0.400 nan 8.230 nan 0.000 0.438 141 M N 0.076 119.735 119.600 0.098 0.000 2.081 141 M HA -0.180 4.300 4.480 -0.001 0.000 0.261 141 M C 2.288 178.576 176.300 -0.021 0.000 1.075 141 M CA 1.768 57.151 55.300 0.138 0.000 1.133 141 M CB -0.014 32.647 32.600 0.102 0.000 1.330 141 M HN 0.131 nan 8.290 nan 0.000 0.414 142 L N 0.186 121.331 121.223 -0.130 0.000 2.079 142 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 142 L C 2.630 179.376 176.870 -0.206 0.000 1.081 142 L CA 0.974 55.676 54.840 -0.231 0.000 0.752 142 L CB -0.741 41.151 42.059 -0.279 0.000 0.896 142 L HN 0.448 nan 8.230 nan 0.000 0.433 143 M N -0.720 118.774 119.600 -0.177 0.000 2.296 143 M HA -0.120 4.360 4.480 -0.001 0.000 0.265 143 M C 2.410 178.640 176.300 -0.117 0.000 1.064 143 M CA 1.731 56.898 55.300 -0.222 0.000 1.109 143 M CB -1.169 31.202 32.600 -0.382 0.000 1.396 143 M HN 0.298 nan 8.290 nan 0.000 0.430 144 A N 0.452 123.244 122.820 -0.048 0.000 1.878 144 A HA 0.036 4.355 4.320 -0.001 0.000 0.213 144 A C 1.689 179.279 177.584 0.011 0.000 1.192 144 A CA 0.870 52.923 52.037 0.026 0.000 0.619 144 A CB -0.327 18.744 19.000 0.119 0.000 0.837 144 A HN 0.569 nan 8.150 nan 0.000 0.446 145 I N -3.534 117.031 120.570 -0.010 0.000 3.654 145 I HA 0.434 4.604 4.170 -0.001 0.000 0.337 145 I C 1.273 177.366 176.117 -0.041 0.000 1.568 145 I CA 0.270 61.558 61.300 -0.020 0.000 1.115 145 I CB -0.118 37.871 38.000 -0.018 0.000 1.300 145 I HN 0.079 nan 8.210 nan 0.000 0.471 146 G N 1.959 110.579 108.800 -0.300 0.000 2.469 146 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.219 146 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.219 146 G C 1.452 176.131 174.900 -0.368 0.000 1.150 146 G CA 1.070 45.804 45.100 -0.609 0.000 0.763 146 G HN 0.553 nan 8.290 nan 0.000 0.561 147 G N 1.188 109.840 108.800 -0.246 0.000 2.529 147 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.219 147 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.219 147 G C 1.806 176.711 174.900 0.009 0.000 1.177 147 G CA 1.004 46.140 45.100 0.059 0.000 0.773 147 G HN 0.444 nan 8.290 nan 0.000 0.573 148 L N -0.885 120.295 121.223 -0.072 0.000 2.043 148 L HA -0.097 4.243 4.340 -0.001 0.000 0.212 148 L C 2.793 179.524 176.870 -0.232 0.000 1.075 148 L CA 1.174 55.898 54.840 -0.193 0.000 0.752 148 L CB -0.559 41.302 42.059 -0.331 0.000 0.891 148 L HN 0.163 nan 8.230 nan 0.000 0.432 149 F N 0.042 119.914 119.950 -0.130 0.000 2.186 149 F HA -0.168 4.358 4.527 -0.001 0.000 0.299 149 F C 2.605 178.372 175.800 -0.054 0.000 1.090 149 F CA 1.285 59.222 58.000 -0.104 0.000 1.307 149 F CB -0.325 38.605 39.000 -0.117 0.000 1.019 149 F HN 0.129 nan 8.300 nan 0.000 0.489 150 E N 0.394 120.690 120.200 0.160 0.000 2.401 150 E HA -0.164 4.186 4.350 -0.001 0.000 0.199 150 E C 1.179 177.806 176.600 0.044 0.000 1.023 150 E CA 0.788 57.262 56.400 0.124 0.000 0.859 150 E CB 0.115 29.939 29.700 0.207 0.000 0.780 150 E HN 0.129 nan 8.360 nan 0.000 0.523 151 K N 0.515 120.919 120.400 0.005 0.000 2.374 151 K HA 0.033 4.353 4.320 -0.001 0.000 0.202 151 K C -0.167 176.400 176.600 -0.054 0.000 1.040 151 K CA 0.461 56.730 56.287 -0.030 0.000 1.085 151 K CB 0.391 32.864 32.500 -0.045 0.000 0.873 151 K HN 0.091 nan 8.250 nan 0.000 0.539 152 D N 0.511 120.878 120.400 -0.055 0.000 2.723 152 D HA -0.165 4.475 4.640 -0.001 0.000 0.236 152 D C -0.108 176.114 176.300 -0.130 0.000 1.138 152 D CA 0.234 54.190 54.000 -0.074 0.000 0.676 152 D CB -0.823 39.951 40.800 -0.043 0.000 1.069 152 D HN 0.016 nan 8.370 nan 0.000 0.430 153 L N -0.353 120.753 121.223 -0.195 0.000 2.616 153 L HA 0.313 4.652 4.340 -0.001 0.000 0.229 153 L C 0.546 177.218 176.870 -0.331 0.000 1.110 153 L CA 0.294 54.997 54.840 -0.229 0.000 0.884 153 L CB 0.603 42.539 42.059 -0.206 0.000 1.115 153 L HN 0.161 nan 8.230 nan 0.000 0.481 154 V N 0.368 120.018 119.914 -0.439 0.000 2.368 154 V HA 0.090 4.210 4.120 -0.001 0.000 0.266 154 V C 1.389 177.260 176.094 -0.372 0.000 1.045 154 V CA -0.142 61.825 62.300 -0.556 0.000 0.899 154 V CB 1.230 32.434 31.823 -1.031 0.000 1.006 154 V HN 0.325 nan 8.190 nan 0.000 0.470 155 E N 6.042 126.020 120.200 -0.370 0.000 2.060 155 E HA 0.037 4.386 4.350 -0.001 0.000 0.189 155 E C 0.288 176.859 176.600 -0.049 0.000 0.974 155 E CA 0.682 56.952 56.400 -0.217 0.000 0.808 155 E CB 0.481 30.021 29.700 -0.267 0.000 0.768 155 E HN 0.766 nan 8.360 nan 0.000 0.453 156 W N -0.915 120.283 121.300 -0.169 0.000 3.057 156 W HA 0.522 5.182 4.660 -0.001 0.000 0.328 156 W C -1.769 174.675 176.519 -0.126 0.000 1.232 156 W CA -0.887 56.383 57.345 -0.126 0.000 1.187 156 W CB 0.422 29.841 29.460 -0.069 0.000 1.417 156 W HN -0.268 nan 8.180 nan 0.000 0.569 157 I N 2.826 123.656 120.570 0.434 0.000 2.644 157 I HA 0.217 4.387 4.170 -0.001 0.000 0.291 157 I C -0.138 176.231 176.117 0.420 0.000 1.180 157 I CA -0.733 60.743 61.300 0.293 0.000 1.040 157 I CB 2.602 40.591 38.000 -0.019 0.000 1.255 157 I HN 0.437 nan 8.210 nan 0.000 0.422 158 S N 5.505 121.502 115.700 0.496 0.000 2.462 158 S HA 0.828 5.298 4.470 -0.001 0.000 0.294 158 S C -0.643 174.152 174.600 0.324 0.000 1.144 158 S CA -0.563 57.847 58.200 0.349 0.000 1.088 158 S CB 1.796 65.207 63.200 0.353 0.000 1.009 158 S HN 0.323 nan 8.310 nan 0.000 0.484 159 V N 1.399 121.467 119.914 0.257 0.000 2.864 159 V HA 0.918 5.038 4.120 -0.001 0.000 0.314 159 V C -0.033 176.153 176.094 0.154 0.000 1.073 159 V CA -0.839 61.633 62.300 0.288 0.000 0.956 159 V CB 1.681 33.697 31.823 0.321 0.000 1.023 159 V HN 1.244 nan 8.190 nan 0.000 0.435 160 A N 1.920 124.808 122.820 0.114 0.000 2.385 160 A HA 0.807 5.127 4.320 -0.001 0.000 0.290 160 A C -0.158 177.402 177.584 -0.039 0.000 1.094 160 A CA -0.299 51.744 52.037 0.010 0.000 0.729 160 A CB 1.468 20.491 19.000 0.039 0.000 1.194 160 A HN 1.018 nan 8.150 nan 0.000 0.442 161 T N -1.041 113.432 114.554 -0.134 0.000 2.945 161 T HA 0.707 5.056 4.350 -0.001 0.000 0.286 161 T C -0.945 173.577 174.700 -0.296 0.000 1.025 161 T CA -0.402 61.635 62.100 -0.104 0.000 1.039 161 T CB 0.916 69.731 68.868 -0.089 0.000 1.068 161 T HN 0.432 nan 8.240 nan 0.000 0.497 162 Y N 0.591 120.856 120.300 -0.060 0.000 2.787 162 Y HA 0.384 4.934 4.550 -0.001 0.000 0.352 162 Y C 0.471 176.355 175.900 -0.027 0.000 1.027 162 Y CA -0.995 57.103 58.100 -0.004 0.000 1.219 162 Y CB 0.642 39.145 38.460 0.072 0.000 1.110 162 Y HN 0.615 nan 8.280 nan 0.000 0.614 163 Q N 1.656 121.441 119.800 -0.024 0.000 2.261 163 Q HA 0.690 5.029 4.340 -0.001 0.000 0.252 163 Q C 0.090 176.169 176.000 0.131 0.000 0.915 163 Q CA -0.666 55.044 55.803 -0.155 0.000 0.915 163 Q CB 1.712 30.178 28.738 -0.454 0.000 1.204 163 Q HN 0.716 nan 8.270 nan 0.000 0.421 164 A N 1.454 124.532 122.820 0.430 0.000 2.346 164 A HA 0.440 4.760 4.320 -0.001 0.000 0.252 164 A C 0.884 178.657 177.584 0.315 0.000 1.089 164 A CA 0.363 52.599 52.037 0.332 0.000 0.797 164 A CB 0.360 19.527 19.000 0.278 0.000 1.047 164 A HN 0.929 nan 8.150 nan 0.000 0.494 165 A N 0.447 123.427 122.820 0.267 0.000 2.014 165 A HA 0.005 4.324 4.320 -0.001 0.000 0.218 165 A C 2.301 180.030 177.584 0.241 0.000 1.163 165 A CA 1.944 54.192 52.037 0.351 0.000 0.652 165 A CB -1.074 18.170 19.000 0.407 0.000 0.808 165 A HN 1.662 nan 8.150 nan 0.000 0.449 166 S N -0.288 115.514 115.700 0.170 0.000 2.440 166 S HA -0.041 4.429 4.470 -0.001 0.000 0.238 166 S C 1.873 176.535 174.600 0.103 0.000 1.010 166 S CA 1.308 59.569 58.200 0.101 0.000 0.972 166 S CB -0.966 62.267 63.200 0.055 0.000 0.774 166 S HN 0.648 nan 8.310 nan 0.000 0.501 167 G N 0.755 109.660 108.800 0.175 0.000 2.484 167 G HA2 0.243 4.202 3.960 -0.001 0.000 0.218 167 G HA3 0.243 4.202 3.960 -0.001 0.000 0.218 167 G C 1.470 176.458 174.900 0.147 0.000 1.130 167 G CA 0.545 45.758 45.100 0.189 0.000 0.784 167 G HN 0.757 nan 8.290 nan 0.000 0.543 168 A N -0.540 122.363 122.820 0.138 0.000 1.911 168 A HA 0.586 4.906 4.320 -0.001 0.000 0.212 168 A C 1.300 178.884 177.584 0.001 0.000 1.189 168 A CA 1.566 53.643 52.037 0.067 0.000 0.639 168 A CB -0.109 18.913 19.000 0.037 0.000 0.839 168 A HN 1.543 nan 8.150 nan 0.000 0.449 169 G N -3.810 104.991 108.800 0.002 0.000 2.350 169 G HA2 0.489 4.449 3.960 -0.001 0.000 0.304 169 G HA3 0.489 4.449 3.960 -0.001 0.000 0.304 169 G C 0.497 175.383 174.900 -0.024 0.000 1.421 169 G CA -0.062 45.026 45.100 -0.020 0.000 0.934 169 G HN 0.964 nan 8.290 nan 0.000 0.632 170 A N 0.078 122.885 122.820 -0.022 0.000 1.908 170 A HA 0.000 4.320 4.320 -0.001 0.000 0.218 170 A C 2.165 179.731 177.584 -0.030 0.000 1.181 170 A CA 2.307 54.333 52.037 -0.017 0.000 0.627 170 A CB -0.424 18.564 19.000 -0.021 0.000 0.818 170 A HN 0.636 nan 8.150 nan 0.000 0.445 171 K N -0.580 119.785 120.400 -0.058 0.000 2.148 171 K HA -0.127 4.193 4.320 -0.001 0.000 0.204 171 K C 1.655 178.191 176.600 -0.106 0.000 1.050 171 K CA 1.505 57.747 56.287 -0.074 0.000 0.942 171 K CB -0.251 32.197 32.500 -0.087 0.000 0.724 171 K HN 0.537 nan 8.250 nan 0.000 0.446 172 N N 0.712 119.308 118.700 -0.174 0.000 2.188 172 N HA -0.072 4.668 4.740 -0.001 0.000 0.184 172 N C 1.670 177.219 175.510 0.065 0.000 1.018 172 N CA 1.170 54.037 53.050 -0.305 0.000 0.858 172 N CB -0.013 38.142 38.487 -0.552 0.000 0.989 172 N HN 0.100 nan 8.380 nan 0.000 0.426 173 M N 0.159 119.803 119.600 0.075 0.000 2.117 173 M HA -0.090 4.389 4.480 -0.001 0.000 0.262 173 M C 1.925 178.280 176.300 0.091 0.000 1.065 173 M CA 1.456 56.827 55.300 0.118 0.000 1.114 173 M CB -0.126 32.519 32.600 0.074 0.000 1.361 173 M HN 0.084 nan 8.290 nan 0.000 0.408 174 R N -0.093 120.433 120.500 0.044 0.000 2.096 174 R HA -0.163 4.177 4.340 -0.001 0.000 0.235 174 R C 2.117 178.436 176.300 0.031 0.000 1.127 174 R CA 1.510 57.625 56.100 0.026 0.000 0.968 174 R CB -0.400 29.899 30.300 -0.001 0.000 0.861 174 R HN 0.476 nan 8.270 nan 0.000 0.440 175 E N 0.908 121.136 120.200 0.047 0.000 2.106 175 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 175 E C 1.894 178.551 176.600 0.095 0.000 0.984 175 E CA 0.774 57.207 56.400 0.055 0.000 0.806 175 E CB 0.036 29.782 29.700 0.077 0.000 0.750 175 E HN 0.138 nan 8.360 nan 0.000 0.458 176 L N 0.880 122.221 121.223 0.196 0.000 2.017 176 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 176 L C 2.071 178.980 176.870 0.064 0.000 1.073 176 L CA 1.669 56.590 54.840 0.136 0.000 0.745 176 L CB -0.518 41.637 42.059 0.160 0.000 0.894 176 L HN 0.227 nan 8.230 nan 0.000 0.432 177 L N -1.045 120.214 121.223 0.059 0.000 2.046 177 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 177 L C 2.504 179.383 176.870 0.016 0.000 1.077 177 L CA 1.420 56.283 54.840 0.038 0.000 0.747 177 L CB -0.800 41.280 42.059 0.036 0.000 0.896 177 L HN 0.247 nan 8.230 nan 0.000 0.432 178 S N -0.676 115.018 115.700 -0.010 0.000 2.368 178 S HA -0.244 4.226 4.470 -0.001 0.000 0.225 178 S C 1.950 176.502 174.600 -0.080 0.000 1.030 178 S CA 1.260 59.434 58.200 -0.044 0.000 0.999 178 S CB -0.230 62.926 63.200 -0.075 0.000 0.844 178 S HN 0.426 nan 8.310 nan 0.000 0.459 179 Q N 0.434 120.152 119.800 -0.136 0.000 2.061 179 Q HA -0.070 4.269 4.340 -0.001 0.000 0.204 179 Q C 2.265 178.334 176.000 0.115 0.000 0.984 179 Q CA 1.413 57.105 55.803 -0.185 0.000 0.846 179 Q CB -0.283 28.356 28.738 -0.166 0.000 0.902 179 Q HN 0.550 nan 8.270 nan 0.000 0.421 180 M N -0.504 119.148 119.600 0.086 0.000 2.159 180 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 180 M C 2.202 178.557 176.300 0.092 0.000 1.063 180 M CA 1.502 56.862 55.300 0.100 0.000 1.110 180 M CB -0.547 32.094 32.600 0.068 0.000 1.374 180 M HN 0.347 nan 8.290 nan 0.000 0.411 181 G N 0.858 109.698 108.800 0.066 0.000 2.459 181 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.217 181 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.217 181 G C 1.464 176.413 174.900 0.082 0.000 1.183 181 G CA 0.706 45.840 45.100 0.058 0.000 0.776 181 G HN 0.359 nan 8.290 nan 0.000 0.552 182 L N 0.159 121.450 121.223 0.113 0.000 2.083 182 L HA -0.028 4.312 4.340 -0.001 0.000 0.209 182 L C 2.908 179.888 176.870 0.183 0.000 1.083 182 L CA 0.418 55.357 54.840 0.164 0.000 0.752 182 L CB -0.425 41.780 42.059 0.244 0.000 0.899 182 L HN 0.180 nan 8.230 nan 0.000 0.433 183 L N -0.519 120.832 121.223 0.214 0.000 2.017 183 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 183 L C 2.811 179.723 176.870 0.071 0.000 1.073 183 L CA 1.371 56.288 54.840 0.128 0.000 0.745 183 L CB -0.611 41.523 42.059 0.126 0.000 0.894 183 L HN 0.372 nan 8.230 nan 0.000 0.432 184 E N 0.449 120.691 120.200 0.069 0.000 2.046 184 E HA -0.227 4.123 4.350 -0.001 0.000 0.190 184 E C 2.081 178.706 176.600 0.041 0.000 0.982 184 E CA 1.239 57.666 56.400 0.046 0.000 0.800 184 E CB -0.018 29.708 29.700 0.043 0.000 0.756 184 E HN 0.519 nan 8.360 nan 0.000 0.449 185 Q N -0.101 119.728 119.800 0.049 0.000 2.197 185 Q HA -0.152 4.188 4.340 -0.001 0.000 0.207 185 Q C 2.036 178.058 176.000 0.037 0.000 0.984 185 Q CA 1.478 57.306 55.803 0.042 0.000 0.869 185 Q CB -0.211 28.557 28.738 0.049 0.000 0.906 185 Q HN 0.307 nan 8.270 nan 0.000 0.426 186 A N 0.353 123.198 122.820 0.041 0.000 2.121 186 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 186 A C 1.670 179.264 177.584 0.016 0.000 1.154 186 A CA 1.432 53.485 52.037 0.028 0.000 0.679 186 A CB 0.087 19.099 19.000 0.021 0.000 0.795 186 A HN 0.310 nan 8.150 nan 0.000 0.458 187 V N -4.867 115.057 119.914 0.017 0.000 3.265 187 V HA 0.307 4.426 4.120 -0.001 0.000 0.346 187 V C 1.209 177.311 176.094 0.013 0.000 1.447 187 V CA 0.525 62.832 62.300 0.012 0.000 1.179 187 V CB -0.650 31.177 31.823 0.007 0.000 1.103 187 V HN 0.196 nan 8.190 nan 0.000 0.530 188 S N 2.685 118.395 115.700 0.017 0.000 2.380 188 S HA -0.229 4.241 4.470 -0.001 0.000 0.229 188 S C 2.207 176.815 174.600 0.013 0.000 1.043 188 S CA 2.872 61.082 58.200 0.017 0.000 1.038 188 S CB -0.164 63.047 63.200 0.019 0.000 0.872 188 S HN 1.111 nan 8.310 nan 0.000 0.456 189 S N 0.473 116.180 115.700 0.011 0.000 2.377 189 S HA 0.021 4.491 4.470 -0.001 0.000 0.223 189 S C 1.621 176.226 174.600 0.008 0.000 1.030 189 S CA 0.955 59.160 58.200 0.009 0.000 0.970 189 S CB -0.593 62.612 63.200 0.008 0.000 0.830 189 S HN 0.519 nan 8.310 nan 0.000 0.473 190 E N 1.983 122.187 120.200 0.007 0.000 2.077 190 E HA 0.036 4.386 4.350 -0.001 0.000 0.193 190 E C 1.989 178.593 176.600 0.006 0.000 0.989 190 E CA 1.047 57.451 56.400 0.005 0.000 0.800 190 E CB -0.595 29.108 29.700 0.004 0.000 0.746 190 E HN 0.464 nan 8.360 nan 0.000 0.452 191 L N 0.547 121.774 121.223 0.007 0.000 2.083 191 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 191 L C 2.080 178.954 176.870 0.008 0.000 1.083 191 L CA 1.270 56.115 54.840 0.008 0.000 0.752 191 L CB -0.251 41.815 42.059 0.010 0.000 0.899 191 L HN 0.088 nan 8.230 nan 0.000 0.433 192 K N -0.708 119.697 120.400 0.008 0.000 2.288 192 K HA -0.104 4.216 4.320 -0.001 0.000 0.201 192 K C 0.438 177.041 176.600 0.006 0.000 1.048 192 K CA 0.321 56.612 56.287 0.007 0.000 0.956 192 K CB -0.091 32.414 32.500 0.008 0.000 0.746 192 K HN 0.107 nan 8.250 nan 0.000 0.461 193 D N 1.597 122.000 120.400 0.005 0.000 2.393 193 D HA 0.030 4.669 4.640 -0.001 0.000 0.232 193 D C -1.565 174.737 176.300 0.004 0.000 1.192 193 D CA -2.465 51.537 54.000 0.004 0.000 0.882 193 D CB 1.208 42.011 40.800 0.004 0.000 1.038 193 D HN -0.059 nan 8.370 nan 0.000 0.499 194 P HA -0.131 nan 4.420 nan 0.000 0.223 194 P C 0.554 177.856 177.300 0.002 0.000 1.144 194 P CA 0.657 63.758 63.100 0.003 0.000 0.783 194 P CB 0.300 32.002 31.700 0.003 0.000 0.771 195 A N -0.360 122.461 122.820 0.002 0.000 2.390 195 A HA 0.239 4.558 4.320 -0.001 0.000 0.232 195 A C 1.097 178.682 177.584 0.002 0.000 1.233 195 A CA -0.013 52.025 52.037 0.002 0.000 0.907 195 A CB -0.462 18.539 19.000 0.002 0.000 0.967 195 A HN 0.315 nan 8.150 nan 0.000 0.512 196 S N -0.075 115.626 115.700 0.002 0.000 2.585 196 S HA 0.361 4.831 4.470 -0.001 0.000 0.273 196 S C 0.449 175.050 174.600 0.001 0.000 1.339 196 S CA 0.179 58.379 58.200 0.001 0.000 1.028 196 S CB 0.934 64.135 63.200 0.002 0.000 0.906 196 S HN 0.454 nan 8.310 nan 0.000 0.528 197 S N 0.906 116.606 115.700 0.000 0.000 2.510 197 S HA 0.131 4.600 4.470 -0.001 0.000 0.279 197 S C 0.909 175.508 174.600 -0.001 0.000 1.284 197 S CA -0.756 57.444 58.200 -0.001 0.000 1.059 197 S CB -0.213 62.986 63.200 -0.002 0.000 0.901 197 S HN 0.710 nan 8.310 nan 0.000 0.491 198 I N 5.869 126.438 120.570 -0.001 0.000 2.439 198 I HA 0.004 4.173 4.170 -0.001 0.000 0.251 198 I C 1.565 177.680 176.117 -0.004 0.000 1.139 198 I CA 1.275 62.573 61.300 -0.002 0.000 1.438 198 I CB -0.328 37.671 38.000 -0.001 0.000 1.085 198 I HN 0.692 nan 8.210 nan 0.000 0.427 199 L N 0.428 121.649 121.223 -0.004 0.000 2.056 199 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 199 L C 2.183 179.048 176.870 -0.007 0.000 1.078 199 L CA 2.082 56.918 54.840 -0.006 0.000 0.749 199 L CB -1.238 40.818 42.059 -0.005 0.000 0.901 199 L HN 0.365 nan 8.230 nan 0.000 0.433 200 D N -0.650 119.746 120.400 -0.006 0.000 2.117 200 D HA -0.197 4.443 4.640 -0.001 0.000 0.197 200 D C 2.256 178.551 176.300 -0.008 0.000 0.987 200 D CA 1.223 55.219 54.000 -0.006 0.000 0.829 200 D CB 0.017 40.815 40.800 -0.004 0.000 0.961 200 D HN 0.340 nan 8.370 nan 0.000 0.460 201 I N 0.300 120.867 120.570 -0.006 0.000 2.142 201 I HA -0.248 3.922 4.170 -0.001 0.000 0.240 201 I C 2.393 178.503 176.117 -0.011 0.000 1.078 201 I CA 1.675 62.972 61.300 -0.006 0.000 1.343 201 I CB -0.495 37.504 38.000 -0.003 0.000 1.046 201 I HN 0.187 nan 8.210 nan 0.000 0.405 202 E N 1.313 121.506 120.200 -0.012 0.000 2.153 202 E HA -0.278 4.071 4.350 -0.001 0.000 0.194 202 E C 2.114 178.698 176.600 -0.026 0.000 0.988 202 E CA 1.174 57.563 56.400 -0.018 0.000 0.811 202 E CB -0.380 29.311 29.700 -0.015 0.000 0.746 202 E HN 0.261 nan 8.360 nan 0.000 0.466 203 R N 0.914 121.401 120.500 -0.022 0.000 2.083 203 R HA -0.122 4.217 4.340 -0.001 0.000 0.237 203 R C 2.036 178.317 176.300 -0.031 0.000 1.137 203 R CA 2.262 58.347 56.100 -0.024 0.000 0.951 203 R CB -0.033 30.256 30.300 -0.017 0.000 0.851 203 R HN 0.184 nan 8.270 nan 0.000 0.434 204 K N -0.705 119.679 120.400 -0.026 0.000 2.031 204 K HA -0.060 4.260 4.320 -0.001 0.000 0.205 204 K C 2.015 178.588 176.600 -0.044 0.000 1.049 204 K CA 1.430 57.700 56.287 -0.028 0.000 0.939 204 K CB -0.081 32.410 32.500 -0.015 0.000 0.717 204 K HN 0.008 nan 8.250 nan 0.000 0.438 205 V N 1.486 121.375 119.914 -0.043 0.000 2.287 205 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 205 V C 2.142 178.166 176.094 -0.116 0.000 1.053 205 V CA 2.184 64.447 62.300 -0.061 0.000 1.027 205 V CB -0.673 31.127 31.823 -0.039 0.000 0.646 205 V HN 0.409 nan 8.190 nan 0.000 0.447 206 T N 0.063 114.560 114.554 -0.096 0.000 2.833 206 T HA -0.121 4.229 4.350 -0.001 0.000 0.269 206 T C 1.996 176.614 174.700 -0.136 0.000 1.054 206 T CA 1.473 63.504 62.100 -0.115 0.000 1.135 206 T CB -0.341 68.483 68.868 -0.073 0.000 0.869 206 T HN 0.583 nan 8.240 nan 0.000 0.466 207 A N 1.546 124.304 122.820 -0.103 0.000 1.898 207 A HA -0.044 4.276 4.320 -0.001 0.000 0.216 207 A C 2.189 179.698 177.584 -0.126 0.000 1.181 207 A CA 1.761 53.744 52.037 -0.090 0.000 0.620 207 A CB -0.441 18.527 19.000 -0.054 0.000 0.819 207 A HN 0.329 nan 8.150 nan 0.000 0.442 208 K N -0.085 120.228 120.400 -0.145 0.000 2.057 208 K HA -0.063 4.256 4.320 -0.001 0.000 0.207 208 K C 1.975 178.295 176.600 -0.466 0.000 1.049 208 K CA 1.953 58.140 56.287 -0.166 0.000 0.931 208 K CB -0.509 31.938 32.500 -0.089 0.000 0.714 208 K HN 0.473 nan 8.250 nan 0.000 0.440 209 M N -0.125 119.066 119.600 -0.680 0.000 2.149 209 M HA -0.183 4.297 4.480 -0.001 0.000 0.261 209 M C 1.465 177.368 176.300 -0.662 0.000 1.064 209 M CA 1.712 56.301 55.300 -1.186 0.000 1.102 209 M CB 0.063 32.284 32.600 -0.631 0.000 1.369 209 M HN 0.043 nan 8.290 nan 0.000 0.408 210 R N 0.099 120.412 120.500 -0.311 0.000 2.297 210 R HA 0.279 4.619 4.340 -0.001 0.000 0.197 210 R C 0.538 176.807 176.300 -0.052 0.000 0.943 210 R CA 0.071 56.093 56.100 -0.131 0.000 1.038 210 R CB -0.053 30.192 30.300 -0.091 0.000 0.957 210 R HN 0.329 nan 8.270 nan 0.000 0.484 211 A N 1.197 123.988 122.820 -0.048 0.000 2.483 211 A HA -0.024 4.295 4.320 -0.001 0.000 0.238 211 A C 0.350 177.988 177.584 0.089 0.000 1.070 211 A CA -0.253 51.802 52.037 0.030 0.000 0.770 211 A CB 0.312 19.342 19.000 0.050 0.000 1.008 211 A HN 0.073 nan 8.150 nan 0.000 0.497 212 D N 0.909 121.350 120.400 0.068 0.000 2.149 212 D HA -0.167 4.472 4.640 -0.001 0.000 0.198 212 D C 1.429 177.785 176.300 0.094 0.000 0.990 212 D CA 2.045 56.087 54.000 0.070 0.000 0.839 212 D CB -0.195 40.631 40.800 0.044 0.000 0.948 212 D HN 0.806 nan 8.370 nan 0.000 0.460 213 N N -0.080 118.680 118.700 0.100 0.000 2.521 213 N HA -0.120 4.619 4.740 -0.001 0.000 0.188 213 N C 0.070 175.669 175.510 0.149 0.000 1.146 213 N CA -0.148 52.961 53.050 0.099 0.000 0.893 213 N CB -0.714 37.819 38.487 0.077 0.000 0.975 213 N HN 0.013 nan 8.380 nan 0.000 0.451 214 F N 3.547 123.509 119.950 0.019 0.000 2.506 214 F HA 0.259 4.786 4.527 -0.000 0.000 0.371 214 F C -1.890 173.930 175.800 0.033 0.000 1.078 214 F CA -2.985 55.030 58.000 0.025 0.000 1.195 214 F CB 0.420 39.434 39.000 0.023 0.000 1.099 214 F HN 0.023 nan 8.300 nan 0.000 0.548 215 P HA 0.049 nan 4.420 nan 0.000 0.268 215 P C -0.221 176.987 177.300 -0.153 0.000 1.282 215 P CA 0.072 63.062 63.100 -0.184 0.000 0.880 215 P CB 0.165 31.743 31.700 -0.202 0.000 0.971 216 T N -1.682 112.867 114.554 -0.007 0.000 3.337 216 T HA 0.127 4.477 4.350 -0.001 0.000 0.299 216 T C 0.706 175.450 174.700 0.074 0.000 0.998 216 T CA -0.330 61.817 62.100 0.078 0.000 0.948 216 T CB -0.301 68.655 68.868 0.146 0.000 1.170 216 T HN 0.050 nan 8.240 nan 0.000 0.508 217 D N 2.264 122.678 120.400 0.023 0.000 2.117 217 D HA -0.111 4.529 4.640 -0.001 0.000 0.197 217 D C 1.753 178.042 176.300 -0.020 0.000 0.987 217 D CA 0.982 54.984 54.000 0.004 0.000 0.829 217 D CB 0.070 40.861 40.800 -0.015 0.000 0.961 217 D HN 0.449 nan 8.370 nan 0.000 0.460 218 N N -0.050 118.611 118.700 -0.065 0.000 2.171 218 N HA -0.060 4.680 4.740 -0.001 0.000 0.184 218 N C 1.796 177.174 175.510 -0.221 0.000 1.021 218 N CA 0.635 53.572 53.050 -0.188 0.000 0.854 218 N CB -0.244 38.046 38.487 -0.327 0.000 0.994 218 N HN 0.220 nan 8.380 nan 0.000 0.426 219 F N 0.183 120.143 119.950 0.017 0.000 2.569 219 F HA 0.194 4.721 4.527 -0.001 0.000 0.295 219 F C 1.890 177.707 175.800 0.028 0.000 1.115 219 F CA 0.429 58.449 58.000 0.033 0.000 1.450 219 F CB 0.123 39.148 39.000 0.042 0.000 1.107 219 F HN 0.094 nan 8.300 nan 0.000 0.563 220 G N 0.672 109.580 108.800 0.180 0.000 2.162 220 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.260 220 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.260 220 G C 0.041 175.008 174.900 0.111 0.000 0.976 220 G CA 0.061 45.224 45.100 0.106 0.000 0.655 220 G HN 0.850 nan 8.290 nan 0.000 0.533 221 A N -1.548 121.370 122.820 0.163 0.000 2.586 221 A HA 0.994 5.314 4.320 -0.001 0.000 0.291 221 A C 0.024 177.700 177.584 0.155 0.000 1.062 221 A CA 0.254 52.367 52.037 0.128 0.000 0.666 221 A CB 0.235 19.284 19.000 0.083 0.000 1.281 221 A HN 2.096 nan 8.150 nan 0.000 0.421 222 A N -0.246 122.669 122.820 0.159 0.000 2.425 222 A HA 0.536 4.856 4.320 -0.001 0.000 0.249 222 A C 0.583 178.196 177.584 0.049 0.000 1.084 222 A CA 0.532 52.703 52.037 0.223 0.000 0.781 222 A CB 0.306 19.471 19.000 0.275 0.000 1.019 222 A HN 1.937 nan 8.150 nan 0.000 0.490 223 L N 2.677 123.882 121.223 -0.029 0.000 2.586 223 L HA 0.394 4.734 4.340 -0.001 0.000 0.204 223 L C 1.485 178.314 176.870 -0.069 0.000 1.053 223 L CA 1.333 56.041 54.840 -0.219 0.000 0.856 223 L CB -0.518 41.124 42.059 -0.695 0.000 1.192 223 L HN 0.767 nan 8.230 nan 0.000 0.484 224 G N -0.533 108.280 108.800 0.022 0.000 2.380 224 G HA2 0.348 4.308 3.960 -0.001 0.000 0.242 224 G HA3 0.348 4.308 3.960 -0.001 0.000 0.242 224 G C 0.957 175.917 174.900 0.101 0.000 1.298 224 G CA 0.228 45.376 45.100 0.080 0.000 0.878 224 G HN 1.036 nan 8.290 nan 0.000 0.542 225 G N 0.140 108.976 108.800 0.061 0.000 2.166 225 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.260 225 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.260 225 G C 0.588 175.499 174.900 0.018 0.000 0.986 225 G CA 1.250 46.373 45.100 0.038 0.000 0.683 225 G HN 1.543 nan 8.290 nan 0.000 0.527 226 S N -1.883 113.825 115.700 0.014 0.000 3.287 226 S HA 0.895 5.365 4.470 -0.001 0.000 0.324 226 S C -1.563 173.029 174.600 -0.013 0.000 1.205 226 S CA 0.452 58.653 58.200 0.001 0.000 1.020 226 S CB 0.888 64.088 63.200 0.002 0.000 1.398 226 S HN 1.800 nan 8.310 nan 0.000 0.679 227 L N -0.366 120.843 121.223 -0.022 0.000 2.869 227 L HA 0.723 5.063 4.340 -0.001 0.000 0.265 227 L C -1.773 175.083 176.870 -0.023 0.000 1.011 227 L CA -0.616 54.203 54.840 -0.035 0.000 0.913 227 L CB 0.853 42.901 42.059 -0.018 0.000 1.490 227 L HN 0.601 nan 8.230 nan 0.000 0.410 228 I N 1.868 122.428 120.570 -0.017 0.000 2.476 228 I HA 0.403 4.573 4.170 -0.001 0.000 0.281 228 I C -2.109 174.056 176.117 0.079 0.000 1.040 228 I CA -1.159 60.166 61.300 0.041 0.000 1.094 228 I CB 2.516 40.550 38.000 0.056 0.000 1.219 228 I HN 0.548 nan 8.210 nan 0.000 0.450 229 P HA 0.009 nan 4.420 nan 0.000 0.237 229 P C -0.894 176.541 177.300 0.225 0.000 1.723 229 P CA 0.282 63.443 63.100 0.103 0.000 0.882 229 P CB -0.223 31.526 31.700 0.082 0.000 1.810 230 W N 1.855 123.159 121.300 0.005 0.000 3.889 230 W HA 0.365 5.025 4.660 -0.001 0.000 0.310 230 W C -2.349 174.194 176.519 0.041 0.000 1.167 230 W CA -0.604 56.755 57.345 0.023 0.000 1.299 230 W CB 0.966 30.442 29.460 0.027 0.000 1.214 230 W HN -0.211 nan 8.180 nan 0.000 0.451 231 I N 6.757 127.364 120.570 0.062 0.000 2.499 231 I HA 0.262 4.431 4.170 -0.001 0.000 0.288 231 I C 0.236 176.399 176.117 0.077 0.000 1.048 231 I CA -0.295 61.088 61.300 0.139 0.000 1.062 231 I CB 1.885 39.925 38.000 0.067 0.000 1.238 231 I HN 0.351 nan 8.210 nan 0.000 0.426 232 D N 3.645 124.165 120.400 0.199 0.000 10.186 232 D HA -0.148 4.492 4.640 -0.001 0.000 0.355 232 D C -0.640 175.820 176.300 0.267 0.000 3.006 232 D CA 0.431 54.531 54.000 0.167 0.000 2.406 232 D CB 0.421 41.270 40.800 0.081 0.000 1.188 232 D HN 0.693 nan 8.370 nan 0.000 1.028 233 K N 0.693 121.208 120.400 0.191 0.000 2.168 233 K HA 0.470 4.790 4.320 -0.001 0.000 0.258 233 K C 0.539 177.250 176.600 0.185 0.000 1.010 233 K CA -0.843 55.585 56.287 0.235 0.000 0.929 233 K CB 0.757 33.326 32.500 0.114 0.000 0.998 233 K HN 0.400 nan 8.250 nan 0.000 0.479 234 L N 2.732 124.136 121.223 0.301 0.000 2.397 234 L HA 0.201 4.541 4.340 -0.001 0.000 0.271 234 L C -1.130 175.770 176.870 0.050 0.000 1.148 234 L CA -0.438 54.522 54.840 0.200 0.000 0.825 234 L CB 0.604 42.915 42.059 0.419 0.000 1.117 234 L HN 0.663 nan 8.230 nan 0.000 0.456 235 L N 8.243 129.450 121.223 -0.026 0.000 2.297 235 L HA 0.388 4.728 4.340 -0.001 0.000 0.277 235 L C -1.561 175.288 176.870 -0.035 0.000 1.040 235 L CA -1.691 53.101 54.840 -0.079 0.000 0.867 235 L CB 0.846 42.805 42.059 -0.166 0.000 1.244 235 L HN 0.434 nan 8.230 nan 0.000 0.433 236 P HA -0.285 nan 4.420 nan 0.000 0.219 236 P C 1.451 178.747 177.300 -0.006 0.000 1.161 236 P CA 1.318 64.419 63.100 0.002 0.000 0.909 236 P CB 0.382 32.080 31.700 -0.004 0.000 0.793 237 E N -0.934 119.253 120.200 -0.023 0.000 2.086 237 E HA -0.252 4.098 4.350 -0.001 0.000 0.205 237 E C 1.492 178.090 176.600 -0.003 0.000 1.027 237 E CA 2.561 58.951 56.400 -0.017 0.000 0.830 237 E CB -0.318 29.365 29.700 -0.027 0.000 0.751 237 E HN 0.346 nan 8.360 nan 0.000 0.456 238 T N -4.711 109.845 114.554 0.004 0.000 3.001 238 T HA 0.354 4.704 4.350 -0.001 0.000 0.251 238 T C 1.383 176.088 174.700 0.008 0.000 1.040 238 T CA 0.716 62.826 62.100 0.016 0.000 0.985 238 T CB 0.935 69.836 68.868 0.056 0.000 1.011 238 T HN 0.391 nan 8.240 nan 0.000 0.509 239 G N 1.299 110.100 108.800 0.002 0.000 2.199 239 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.254 239 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.254 239 G C 0.025 174.893 174.900 -0.053 0.000 0.982 239 G CA 0.270 45.368 45.100 -0.004 0.000 0.632 239 G HN 0.701 nan 8.290 nan 0.000 0.529 240 Q N 0.661 120.436 119.800 -0.042 0.000 2.407 240 Q HA 0.543 4.882 4.340 -0.001 0.000 0.214 240 Q C 0.866 176.770 176.000 -0.160 0.000 1.043 240 Q CA 0.390 56.145 55.803 -0.079 0.000 0.983 240 Q CB 0.540 29.304 28.738 0.043 0.000 1.211 240 Q HN 0.527 nan 8.270 nan 0.000 0.564 241 T N -2.560 111.848 114.554 -0.244 0.000 2.943 241 T HA 0.242 4.592 4.350 -0.001 0.000 0.284 241 T C 0.756 175.414 174.700 -0.070 0.000 1.015 241 T CA -0.918 61.003 62.100 -0.298 0.000 1.042 241 T CB 1.360 69.888 68.868 -0.566 0.000 1.055 241 T HN 0.582 nan 8.240 nan 0.000 0.500 242 K N 0.754 121.132 120.400 -0.036 0.000 2.089 242 K HA -0.222 4.098 4.320 -0.001 0.000 0.210 242 K C 2.075 178.783 176.600 0.180 0.000 1.048 242 K CA 2.116 58.430 56.287 0.044 0.000 0.926 242 K CB -0.570 31.930 32.500 0.000 0.000 0.714 242 K HN 0.774 nan 8.250 nan 0.000 0.448 243 E N 0.662 120.913 120.200 0.085 0.000 2.038 243 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 243 E C 1.711 178.367 176.600 0.093 0.000 1.000 243 E CA 2.042 58.494 56.400 0.087 0.000 0.803 243 E CB -0.105 29.610 29.700 0.025 0.000 0.750 243 E HN 0.511 nan 8.360 nan 0.000 0.448 244 E N -0.964 119.265 120.200 0.048 0.000 2.106 244 E HA -0.175 4.175 4.350 -0.001 0.000 0.192 244 E C 1.695 178.366 176.600 0.118 0.000 0.984 244 E CA 0.988 57.416 56.400 0.047 0.000 0.806 244 E CB -0.379 29.310 29.700 -0.018 0.000 0.750 244 E HN 0.443 nan 8.360 nan 0.000 0.458 245 W N 2.263 123.546 121.300 -0.029 0.000 2.342 245 W HA -0.193 4.467 4.660 -0.001 0.000 0.297 245 W C 1.458 177.999 176.519 0.037 0.000 1.213 245 W CA 1.463 58.805 57.345 -0.005 0.000 1.251 245 W CB 0.129 29.573 29.460 -0.027 0.000 1.136 245 W HN -0.150 nan 8.180 nan 0.000 0.526 246 K N -0.126 120.346 120.400 0.121 0.000 2.360 246 K HA -0.062 4.258 4.320 -0.001 0.000 0.201 246 K C 2.302 178.815 176.600 -0.145 0.000 1.046 246 K CA 0.988 57.225 56.287 -0.084 0.000 0.945 246 K CB -0.717 31.855 32.500 0.120 0.000 0.750 246 K HN 0.351 nan 8.250 nan 0.000 0.464 247 G N 0.784 109.541 108.800 -0.072 0.000 2.459 247 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 247 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 247 G C 1.319 176.165 174.900 -0.090 0.000 1.183 247 G CA 0.759 45.830 45.100 -0.047 0.000 0.776 247 G HN 0.246 nan 8.290 nan 0.000 0.552 248 Y N 1.848 121.999 120.300 -0.247 0.000 2.130 248 Y HA 0.133 4.683 4.550 -0.001 0.000 0.287 248 Y C 3.028 178.724 175.900 -0.340 0.000 1.124 248 Y CA 1.125 59.074 58.100 -0.252 0.000 1.118 248 Y CB -0.710 37.596 38.460 -0.258 0.000 0.994 248 Y HN 0.260 nan 8.280 nan 0.000 0.497 249 A N 0.334 122.969 122.820 -0.308 0.000 1.849 249 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 249 A C 2.132 179.574 177.584 -0.237 0.000 1.202 249 A CA 2.282 54.062 52.037 -0.427 0.000 0.629 249 A CB -0.952 17.349 19.000 -1.167 0.000 0.834 249 A HN 0.615 nan 8.150 nan 0.000 0.447 250 E N -1.216 118.841 120.200 -0.238 0.000 2.106 250 E HA -0.113 4.237 4.350 -0.001 0.000 0.192 250 E C 2.142 178.660 176.600 -0.136 0.000 0.984 250 E CA 1.404 57.725 56.400 -0.131 0.000 0.806 250 E CB -0.341 29.311 29.700 -0.081 0.000 0.750 250 E HN 0.608 nan 8.360 nan 0.000 0.458 251 T N 1.479 115.930 114.554 -0.172 0.000 2.684 251 T HA -0.129 4.221 4.350 -0.001 0.000 0.267 251 T C 1.624 176.191 174.700 -0.221 0.000 1.036 251 T CA 1.148 63.106 62.100 -0.237 0.000 1.148 251 T CB -0.180 68.524 68.868 -0.273 0.000 0.863 251 T HN 0.136 nan 8.240 nan 0.000 0.436 252 N N 0.667 119.264 118.700 -0.171 0.000 2.216 252 N HA -0.033 4.707 4.740 -0.001 0.000 0.183 252 N C 1.901 177.367 175.510 -0.074 0.000 1.017 252 N CA 0.819 53.799 53.050 -0.116 0.000 0.861 252 N CB -0.155 38.283 38.487 -0.081 0.000 0.986 252 N HN 0.420 nan 8.380 nan 0.000 0.428 253 K N 1.240 121.599 120.400 -0.070 0.000 2.057 253 K HA 0.016 4.336 4.320 -0.001 0.000 0.206 253 K C 2.070 178.637 176.600 -0.055 0.000 1.050 253 K CA 0.694 56.953 56.287 -0.046 0.000 0.935 253 K CB -0.029 32.450 32.500 -0.035 0.000 0.715 253 K HN 0.036 nan 8.250 nan 0.000 0.439 254 I N 1.121 121.644 120.570 -0.078 0.000 2.208 254 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 254 I C 1.939 177.999 176.117 -0.096 0.000 1.097 254 I CA 1.183 62.432 61.300 -0.085 0.000 1.363 254 I CB -0.112 37.822 38.000 -0.110 0.000 1.051 254 I HN 0.191 nan 8.210 nan 0.000 0.413 255 L N 0.360 121.522 121.223 -0.101 0.000 2.552 255 L HA 0.100 4.439 4.340 -0.001 0.000 0.227 255 L C 1.453 178.328 176.870 0.008 0.000 1.146 255 L CA 0.551 55.361 54.840 -0.051 0.000 0.858 255 L CB -0.526 41.485 42.059 -0.080 0.000 0.969 255 L HN 0.517 nan 8.230 nan 0.000 0.451 256 G N 0.873 109.665 108.800 -0.014 0.000 2.198 256 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.257 256 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.257 256 G C 0.291 175.205 174.900 0.024 0.000 1.042 256 G CA -0.025 45.082 45.100 0.011 0.000 0.791 256 G HN 0.333 nan 8.290 nan 0.000 0.502 257 L N 0.779 122.008 121.223 0.010 0.000 3.084 257 L HA 0.350 4.690 4.340 -0.001 0.000 0.238 257 L C 1.920 178.802 176.870 0.019 0.000 1.327 257 L CA 0.388 55.238 54.840 0.017 0.000 1.094 257 L CB 0.745 42.810 42.059 0.010 0.000 1.477 257 L HN 0.248 nan 8.230 nan 0.000 0.514 258 S N 0.234 115.948 115.700 0.022 0.000 2.447 258 S HA -0.136 4.334 4.470 -0.001 0.000 0.233 258 S C 1.220 175.845 174.600 0.042 0.000 1.006 258 S CA 1.583 59.802 58.200 0.032 0.000 0.957 258 S CB 0.159 63.373 63.200 0.024 0.000 0.773 258 S HN 0.565 nan 8.310 nan 0.000 0.507 259 D N 1.043 121.464 120.400 0.035 0.000 2.262 259 D HA 0.146 4.786 4.640 -0.001 0.000 0.212 259 D C 0.341 176.665 176.300 0.041 0.000 0.964 259 D CA 0.623 54.644 54.000 0.036 0.000 0.875 259 D CB 0.052 40.869 40.800 0.028 0.000 0.996 259 D HN 0.287 nan 8.370 nan 0.000 0.497 260 N N 1.419 120.142 118.700 0.037 0.000 2.990 260 N HA 0.218 4.957 4.740 -0.001 0.000 0.288 260 N C -2.663 172.865 175.510 0.030 0.000 1.624 260 N CA -0.902 52.169 53.050 0.036 0.000 0.961 260 N CB 1.433 39.935 38.487 0.026 0.000 1.259 260 N HN 0.040 nan 8.380 nan 0.000 0.489 261 P HA 0.074 nan 4.420 nan 0.000 0.265 261 P C 0.036 177.279 177.300 -0.095 0.000 1.187 261 P CA 0.373 63.478 63.100 0.008 0.000 0.766 261 P CB 0.909 32.741 31.700 0.220 0.000 0.820 262 I N 5.264 125.693 120.570 -0.235 0.000 2.354 262 I HA 0.259 4.428 4.170 -0.001 0.000 0.292 262 I C -2.146 173.697 176.117 -0.458 0.000 0.989 262 I CA -2.796 58.387 61.300 -0.195 0.000 1.188 262 I CB 1.768 39.749 38.000 -0.031 0.000 1.342 262 I HN 0.110 nan 8.210 nan 0.000 0.457 263 P HA 0.066 nan 4.420 nan 0.000 0.265 263 P C -0.969 176.286 177.300 -0.074 0.000 1.222 263 P CA 0.167 63.156 63.100 -0.185 0.000 0.767 263 P CB 0.450 32.210 31.700 0.100 0.000 0.801 264 V N 4.605 124.441 119.914 -0.129 0.000 2.488 264 V HA 0.494 4.614 4.120 -0.001 0.000 0.293 264 V C -0.409 175.734 176.094 0.082 0.000 1.027 264 V CA -0.163 62.139 62.300 0.002 0.000 0.862 264 V CB 1.953 33.737 31.823 -0.065 0.000 1.008 264 V HN 0.455 nan 8.190 nan 0.000 0.428 265 D N 2.193 122.659 120.400 0.110 0.000 2.622 265 D HA 0.832 5.471 4.640 -0.001 0.000 0.255 265 D C -0.007 176.349 176.300 0.093 0.000 1.246 265 D CA 0.830 54.887 54.000 0.096 0.000 0.795 265 D CB 2.511 43.365 40.800 0.089 0.000 1.369 265 D HN 0.842 nan 8.370 nan 0.000 0.425 266 G N -0.372 108.466 108.800 0.062 0.000 2.404 266 G HA2 0.310 4.270 3.960 -0.001 0.000 0.253 266 G HA3 0.310 4.270 3.960 -0.001 0.000 0.253 266 G C -1.830 173.079 174.900 0.014 0.000 1.253 266 G CA -0.654 44.480 45.100 0.056 0.000 0.917 266 G HN 0.479 nan 8.290 nan 0.000 0.480 267 L N -0.055 121.170 121.223 0.003 0.000 2.346 267 L HA 0.591 4.930 4.340 -0.001 0.000 0.276 267 L C -0.557 176.277 176.870 -0.061 0.000 1.006 267 L CA -0.842 53.973 54.840 -0.042 0.000 0.817 267 L CB 2.180 44.213 42.059 -0.043 0.000 1.272 267 L HN 0.567 nan 8.230 nan 0.000 0.421 268 C N 3.357 122.608 119.300 -0.082 0.000 2.264 268 C HA 0.652 5.111 4.460 -0.001 0.000 0.324 268 C C 0.218 175.154 174.990 -0.090 0.000 1.267 268 C CA -0.697 58.269 59.018 -0.088 0.000 1.618 268 C CB 0.697 28.393 27.740 -0.073 0.000 2.278 268 C HN 0.461 nan 8.230 nan 0.000 0.499 269 V N 4.145 123.987 119.914 -0.121 0.000 2.604 269 V HA 0.526 4.645 4.120 -0.001 0.000 0.305 269 V C -0.015 176.028 176.094 -0.085 0.000 1.043 269 V CA -0.750 61.490 62.300 -0.100 0.000 0.888 269 V CB 1.801 33.527 31.823 -0.161 0.000 0.995 269 V HN 0.813 nan 8.190 nan 0.000 0.429 270 R N 3.859 124.341 120.500 -0.030 0.000 2.349 270 R HA 0.768 5.108 4.340 -0.001 0.000 0.299 270 R C -0.534 175.741 176.300 -0.041 0.000 1.027 270 R CA -0.268 55.821 56.100 -0.018 0.000 0.958 270 R CB 0.974 31.286 30.300 0.020 0.000 1.047 270 R HN 0.846 nan 8.270 nan 0.000 0.468 271 I N -0.598 119.969 120.570 -0.006 0.000 3.239 271 I HA 0.594 4.764 4.170 -0.001 0.000 0.314 271 I C 0.306 176.424 176.117 0.002 0.000 1.126 271 I CA -1.351 59.955 61.300 0.010 0.000 0.973 271 I CB 2.181 40.242 38.000 0.102 0.000 1.252 271 I HN 0.635 nan 8.210 nan 0.000 0.463 272 G N 1.980 110.786 108.800 0.009 0.000 3.090 272 G HA2 0.537 4.497 3.960 -0.001 0.000 0.259 272 G HA3 0.537 4.497 3.960 -0.001 0.000 0.259 272 G C -0.112 174.824 174.900 0.060 0.000 0.797 272 G CA 0.186 45.296 45.100 0.017 0.000 2.032 272 G HN 0.915 nan 8.290 nan 0.000 0.614 273 A N 0.894 123.766 122.820 0.086 0.000 2.374 273 A HA 0.724 5.044 4.320 -0.001 0.000 0.317 273 A C 0.861 178.515 177.584 0.116 0.000 1.094 273 A CA -0.710 51.389 52.037 0.105 0.000 0.765 273 A CB 1.307 20.387 19.000 0.133 0.000 1.268 273 A HN 0.278 nan 8.150 nan 0.000 0.438 274 L N 0.363 121.645 121.223 0.099 0.000 2.084 274 L HA 0.065 4.404 4.340 -0.001 0.000 0.202 274 L C 2.142 179.068 176.870 0.093 0.000 1.074 274 L CA 1.568 56.466 54.840 0.096 0.000 0.757 274 L CB -0.077 42.025 42.059 0.071 0.000 0.918 274 L HN 0.951 nan 8.230 nan 0.000 0.444 275 R N -2.666 117.876 120.500 0.071 0.000 2.527 275 R HA 0.286 4.626 4.340 -0.001 0.000 0.402 275 R C -0.556 175.741 176.300 -0.006 0.000 0.933 275 R CA -0.381 55.737 56.100 0.031 0.000 1.171 275 R CB -0.442 29.865 30.300 0.013 0.000 1.612 275 R HN 0.031 nan 8.270 nan 0.000 0.546 276 C N 2.268 121.599 119.300 0.052 0.000 2.379 276 C HA 0.567 5.027 4.460 -0.001 0.000 0.323 276 C C -0.487 174.608 174.990 0.176 0.000 1.262 276 C CA -0.616 58.435 59.018 0.054 0.000 1.581 276 C CB 0.749 28.535 27.740 0.077 0.000 2.221 276 C HN 0.407 nan 8.230 nan 0.000 0.497 277 H N 0.848 119.958 119.070 0.067 0.000 2.483 277 H HA 0.634 5.190 4.556 -0.000 0.000 0.338 277 H C -0.084 175.253 175.328 0.013 0.000 1.152 277 H CA -0.063 56.023 56.048 0.063 0.000 1.264 277 H CB 1.475 31.272 29.762 0.059 0.000 1.510 277 H HN 0.601 nan 8.280 nan 0.000 0.530 278 S N 1.310 117.081 115.700 0.119 0.000 2.570 278 S HA 0.536 5.006 4.470 -0.001 0.000 0.286 278 S C -0.837 173.620 174.600 -0.239 0.000 1.099 278 S CA -0.910 57.194 58.200 -0.159 0.000 0.913 278 S CB 2.194 65.326 63.200 -0.112 0.000 1.085 278 S HN 0.500 nan 8.310 nan 0.000 0.480 279 Q N 0.705 120.054 119.800 -0.752 0.000 2.268 279 Q HA 0.613 4.952 4.340 -0.001 0.000 0.266 279 Q C -1.393 173.960 176.000 -1.080 0.000 1.006 279 Q CA -0.695 54.697 55.803 -0.686 0.000 0.824 279 Q CB 2.248 30.586 28.738 -0.668 0.000 1.306 279 Q HN 0.743 nan 8.270 nan 0.000 0.424 280 A N 3.211 125.787 122.820 -0.407 0.000 2.274 280 A HA 0.788 5.108 4.320 -0.001 0.000 0.309 280 A C -1.095 176.418 177.584 -0.118 0.000 1.226 280 A CA -0.205 51.769 52.037 -0.106 0.000 0.853 280 A CB 0.190 19.398 19.000 0.347 0.000 1.146 280 A HN 0.636 nan 8.150 nan 0.000 0.518 281 F N 0.653 120.679 119.950 0.126 0.000 2.522 281 F HA 0.525 5.051 4.527 -0.001 0.000 0.324 281 F C 0.566 176.434 175.800 0.113 0.000 1.077 281 F CA -0.645 57.417 58.000 0.102 0.000 0.944 281 F CB 2.907 41.939 39.000 0.053 0.000 1.175 281 F HN 0.393 nan 8.300 nan 0.000 0.468 282 T N 4.003 118.764 114.554 0.344 0.000 2.934 282 T HA 0.484 4.833 4.350 -0.001 0.000 0.328 282 T C -0.461 174.293 174.700 0.090 0.000 1.068 282 T CA -0.351 61.897 62.100 0.247 0.000 1.018 282 T CB 0.237 69.308 68.868 0.337 0.000 1.009 282 T HN 0.284 nan 8.240 nan 0.000 0.471 283 I N 3.066 123.591 120.570 -0.076 0.000 2.330 283 I HA 0.396 4.565 4.170 -0.001 0.000 0.289 283 I C 0.213 175.954 176.117 -0.627 0.000 1.001 283 I CA -1.049 60.043 61.300 -0.346 0.000 1.193 283 I CB 1.345 39.178 38.000 -0.278 0.000 1.345 283 I HN 0.199 nan 8.210 nan 0.000 0.461 284 K N 7.803 127.501 120.400 -1.169 0.000 2.292 284 K HA 0.407 4.727 4.320 -0.001 0.000 0.290 284 K C -0.923 175.162 176.600 -0.858 0.000 1.083 284 K CA -0.007 55.456 56.287 -1.374 0.000 0.918 284 K CB 0.145 31.215 32.500 -2.384 0.000 1.089 284 K HN 0.528 nan 8.250 nan 0.000 0.473 285 L N 5.019 125.872 121.223 -0.617 0.000 2.375 285 L HA 0.235 4.575 4.340 -0.001 0.000 0.271 285 L C 1.399 178.061 176.870 -0.347 0.000 1.107 285 L CA -0.772 53.816 54.840 -0.420 0.000 0.806 285 L CB 0.975 42.851 42.059 -0.306 0.000 1.146 285 L HN 0.592 nan 8.230 nan 0.000 0.447 286 K N 1.844 122.085 120.400 -0.265 0.000 2.026 286 K HA -0.103 4.217 4.320 -0.001 0.000 0.208 286 K C 0.390 176.902 176.600 -0.147 0.000 1.048 286 K CA 1.476 57.651 56.287 -0.187 0.000 0.929 286 K CB -0.168 32.244 32.500 -0.147 0.000 0.713 286 K HN 0.612 nan 8.250 nan 0.000 0.439 287 K N 0.717 121.035 120.400 -0.138 0.000 2.400 287 K HA 0.300 4.620 4.320 -0.001 0.000 0.246 287 K C -1.179 175.360 176.600 -0.102 0.000 0.995 287 K CA -0.904 55.322 56.287 -0.101 0.000 0.840 287 K CB 1.711 34.165 32.500 -0.077 0.000 1.293 287 K HN -0.293 nan 8.250 nan 0.000 0.445 288 D N 1.536 121.892 120.400 -0.073 0.000 2.277 288 D HA 0.329 4.968 4.640 -0.001 0.000 0.249 288 D C -0.967 175.302 176.300 -0.052 0.000 1.134 288 D CA -0.221 53.743 54.000 -0.061 0.000 0.863 288 D CB 0.572 41.350 40.800 -0.036 0.000 1.143 288 D HN 0.527 nan 8.370 nan 0.000 0.458 289 L N 3.938 125.129 121.223 -0.054 0.000 2.371 289 L HA 0.511 4.851 4.340 -0.001 0.000 0.262 289 L C -2.237 174.613 176.870 -0.033 0.000 1.006 289 L CA -2.397 52.417 54.840 -0.044 0.000 0.818 289 L CB 2.376 44.402 42.059 -0.054 0.000 1.354 289 L HN 0.298 nan 8.230 nan 0.000 0.415 290 P HA -0.012 nan 4.420 nan 0.000 0.268 290 P C 0.690 177.980 177.300 -0.017 0.000 1.204 290 P CA -0.254 62.836 63.100 -0.017 0.000 0.768 290 P CB 0.624 32.315 31.700 -0.014 0.000 0.842 291 L N 3.896 125.112 121.223 -0.011 0.000 2.051 291 L HA -0.235 4.104 4.340 -0.001 0.000 0.214 291 L C 1.769 178.635 176.870 -0.007 0.000 1.076 291 L CA 2.285 57.120 54.840 -0.008 0.000 0.758 291 L CB -0.740 41.319 42.059 0.000 0.000 0.890 291 L HN 0.541 nan 8.230 nan 0.000 0.433 292 E N -0.353 119.844 120.200 -0.006 0.000 2.110 292 E HA -0.292 4.058 4.350 -0.001 0.000 0.193 292 E C 2.040 178.635 176.600 -0.008 0.000 0.988 292 E CA 1.411 57.808 56.400 -0.004 0.000 0.804 292 E CB -0.047 29.651 29.700 -0.004 0.000 0.745 292 E HN 0.606 nan 8.360 nan 0.000 0.458 293 E N 0.201 120.393 120.200 -0.013 0.000 2.107 293 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 293 E C 2.116 178.705 176.600 -0.020 0.000 0.982 293 E CA 0.817 57.207 56.400 -0.017 0.000 0.809 293 E CB 0.004 29.691 29.700 -0.021 0.000 0.756 293 E HN 0.355 nan 8.360 nan 0.000 0.459 294 I N 1.084 121.640 120.570 -0.024 0.000 2.179 294 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 294 I C 2.266 178.374 176.117 -0.016 0.000 1.088 294 I CA 1.226 62.507 61.300 -0.031 0.000 1.357 294 I CB -0.355 37.622 38.000 -0.038 0.000 1.051 294 I HN 0.129 nan 8.210 nan 0.000 0.409 295 E N 0.816 121.013 120.200 -0.005 0.000 2.049 295 E HA -0.307 4.042 4.350 -0.001 0.000 0.198 295 E C 2.222 178.827 176.600 0.008 0.000 1.007 295 E CA 1.504 57.908 56.400 0.006 0.000 0.809 295 E CB -0.268 29.438 29.700 0.009 0.000 0.749 295 E HN 0.565 nan 8.360 nan 0.000 0.450 296 Q N 0.411 120.213 119.800 0.003 0.000 2.112 296 Q HA -0.191 4.149 4.340 -0.001 0.000 0.206 296 Q C 2.329 178.334 176.000 0.008 0.000 0.987 296 Q CA 1.300 57.105 55.803 0.003 0.000 0.858 296 Q CB -0.239 28.497 28.738 -0.003 0.000 0.905 296 Q HN 0.375 nan 8.270 nan 0.000 0.420 297 I N 0.384 120.955 120.570 0.003 0.000 2.179 297 I HA -0.296 3.873 4.170 -0.001 0.000 0.242 297 I C 2.255 178.392 176.117 0.033 0.000 1.088 297 I CA 1.160 62.466 61.300 0.010 0.000 1.357 297 I CB -0.301 37.693 38.000 -0.010 0.000 1.051 297 I HN 0.226 nan 8.210 nan 0.000 0.409 298 I N 0.865 121.447 120.570 0.021 0.000 2.127 298 I HA -0.315 3.855 4.170 -0.001 0.000 0.241 298 I C 2.832 178.984 176.117 0.058 0.000 1.075 298 I CA 1.561 62.880 61.300 0.032 0.000 1.334 298 I CB -0.531 37.483 38.000 0.022 0.000 1.040 298 I HN 0.196 nan 8.210 nan 0.000 0.405 299 A N -0.065 122.780 122.820 0.042 0.000 1.978 299 A HA -0.180 4.140 4.320 -0.001 0.000 0.220 299 A C 2.332 179.939 177.584 0.038 0.000 1.170 299 A CA 2.119 54.180 52.037 0.039 0.000 0.636 299 A CB -0.592 18.421 19.000 0.022 0.000 0.810 299 A HN 0.432 nan 8.150 nan 0.000 0.448 300 S N -1.270 114.453 115.700 0.038 0.000 2.603 300 S HA -0.027 4.443 4.470 -0.001 0.000 0.220 300 S C 1.631 176.250 174.600 0.031 0.000 0.967 300 S CA 0.301 58.513 58.200 0.019 0.000 0.920 300 S CB -0.433 62.770 63.200 0.005 0.000 0.773 300 S HN 0.757 nan 8.310 nan 0.000 0.529 301 H N 3.034 122.100 119.070 -0.006 0.000 2.326 301 H HA -0.024 4.532 4.556 -0.001 0.000 0.301 301 H C 0.475 175.807 175.328 0.006 0.000 1.081 301 H CA 1.815 57.866 56.048 0.005 0.000 1.334 301 H CB 0.160 29.933 29.762 0.018 0.000 1.385 301 H HN 0.600 nan 8.280 nan 0.000 0.504 302 N N -1.203 117.540 118.700 0.072 0.000 2.825 302 N HA -0.020 4.720 4.740 -0.001 0.000 0.253 302 N C 0.214 175.681 175.510 -0.070 0.000 1.426 302 N CA -0.279 52.777 53.050 0.011 0.000 0.851 302 N CB 0.606 39.236 38.487 0.238 0.000 1.470 302 N HN 0.156 nan 8.380 nan 0.000 0.517 303 E N -0.800 119.204 120.200 -0.326 0.000 2.427 303 E HA -0.060 4.289 4.350 -0.001 0.000 0.196 303 E C -0.116 176.196 176.600 -0.480 0.000 1.028 303 E CA 0.407 56.504 56.400 -0.504 0.000 0.864 303 E CB -0.110 29.119 29.700 -0.784 0.000 0.813 303 E HN 0.676 nan 8.360 nan 0.000 0.514 304 W N 1.475 122.796 121.300 0.035 0.000 2.588 304 W HA 0.235 4.895 4.660 -0.001 0.000 0.277 304 W C 1.193 177.726 176.519 0.023 0.000 1.221 304 W CA -0.426 56.956 57.345 0.060 0.000 1.355 304 W CB -0.082 29.424 29.460 0.076 0.000 1.083 304 W HN -0.112 nan 8.180 nan 0.000 0.581 305 V N 3.163 123.195 119.914 0.197 0.000 2.788 305 V HA -0.001 4.119 4.120 -0.001 0.000 0.307 305 V C 0.038 176.187 176.094 0.092 0.000 1.069 305 V CA 0.660 63.032 62.300 0.120 0.000 1.173 305 V CB 0.753 32.631 31.823 0.092 0.000 0.925 305 V HN 0.016 nan 8.190 nan 0.000 0.492 306 K N 5.363 125.815 120.400 0.087 0.000 2.579 306 K HA 0.488 4.808 4.320 -0.001 0.000 0.250 306 K C -1.389 175.249 176.600 0.063 0.000 0.952 306 K CA -0.725 55.603 56.287 0.069 0.000 0.857 306 K CB 1.888 34.434 32.500 0.077 0.000 1.123 306 K HN 0.590 nan 8.250 nan 0.000 0.433 307 V N 6.230 126.174 119.914 0.050 0.000 2.415 307 V HA 0.130 4.250 4.120 -0.001 0.000 0.267 307 V C 0.317 176.438 176.094 0.044 0.000 1.042 307 V CA -0.377 61.952 62.300 0.048 0.000 1.000 307 V CB 0.339 32.185 31.823 0.038 0.000 1.015 307 V HN 0.603 nan 8.190 nan 0.000 0.478 308 I N 8.641 129.243 120.570 0.052 0.000 2.325 308 I HA 0.319 4.488 4.170 -0.001 0.000 0.291 308 I C -1.735 174.404 176.117 0.036 0.000 1.019 308 I CA -2.867 58.460 61.300 0.045 0.000 1.302 308 I CB 1.046 39.078 38.000 0.053 0.000 1.401 308 I HN 0.395 nan 8.210 nan 0.000 0.485 309 P HA -0.010 nan 4.420 nan 0.000 0.266 309 P C 0.053 177.362 177.300 0.016 0.000 1.195 309 P CA -0.204 62.907 63.100 0.020 0.000 0.768 309 P CB 0.537 32.246 31.700 0.014 0.000 0.838 310 N N 1.781 120.490 118.700 0.015 0.000 3.063 310 N HA -0.076 4.664 4.740 -0.001 0.000 0.327 310 N C -0.666 174.844 175.510 0.001 0.000 1.225 310 N CA 0.303 53.358 53.050 0.009 0.000 1.184 310 N CB -0.991 37.502 38.487 0.011 0.000 1.438 310 N HN 0.377 nan 8.380 nan 0.000 0.555 311 D N -0.637 119.762 120.400 -0.001 0.000 2.375 311 D HA 0.182 4.822 4.640 -0.001 0.000 0.247 311 D C 0.976 177.269 176.300 -0.011 0.000 1.061 311 D CA -0.754 53.243 54.000 -0.005 0.000 0.834 311 D CB 1.270 42.070 40.800 -0.000 0.000 1.247 311 D HN 0.073 nan 8.370 nan 0.000 0.489 312 K N 2.801 123.192 120.400 -0.016 0.000 1.988 312 K HA -0.293 4.026 4.320 -0.001 0.000 0.221 312 K C 1.540 178.128 176.600 -0.019 0.000 1.053 312 K CA 1.991 58.264 56.287 -0.023 0.000 0.959 312 K CB -0.060 32.427 32.500 -0.021 0.000 0.728 312 K HN 0.645 nan 8.250 nan 0.000 0.447 313 E N 0.294 120.486 120.200 -0.012 0.000 2.097 313 E HA -0.226 4.124 4.350 -0.001 0.000 0.196 313 E C 2.038 178.635 176.600 -0.005 0.000 1.000 313 E CA 1.849 58.244 56.400 -0.008 0.000 0.804 313 E CB -0.143 29.554 29.700 -0.004 0.000 0.740 313 E HN 0.501 nan 8.360 nan 0.000 0.454 314 I N 0.414 120.983 120.570 -0.002 0.000 2.439 314 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 314 I C 2.346 178.466 176.117 0.004 0.000 1.139 314 I CA 1.085 62.387 61.300 0.004 0.000 1.438 314 I CB -0.227 37.778 38.000 0.008 0.000 1.085 314 I HN 0.152 nan 8.210 nan 0.000 0.427 315 T N 1.156 115.706 114.554 -0.006 0.000 2.777 315 T HA -0.095 4.255 4.350 -0.001 0.000 0.266 315 T C 1.803 176.492 174.700 -0.019 0.000 1.040 315 T CA 1.128 63.220 62.100 -0.013 0.000 1.141 315 T CB -0.136 68.710 68.868 -0.037 0.000 0.868 315 T HN 0.082 nan 8.240 nan 0.000 0.444 316 L N 0.735 121.944 121.223 -0.023 0.000 2.275 316 L HA 0.120 4.460 4.340 -0.001 0.000 0.215 316 L C 2.404 179.271 176.870 -0.005 0.000 1.119 316 L CA 1.408 56.234 54.840 -0.023 0.000 0.790 316 L CB -0.515 41.531 42.059 -0.023 0.000 0.919 316 L HN 0.119 nan 8.230 nan 0.000 0.443 317 R N -1.074 119.428 120.500 0.003 0.000 2.156 317 R HA -0.006 4.333 4.340 -0.001 0.000 0.207 317 R C 1.601 177.915 176.300 0.023 0.000 1.040 317 R CA 0.639 56.747 56.100 0.013 0.000 1.013 317 R CB 0.372 30.679 30.300 0.012 0.000 0.931 317 R HN 0.260 nan 8.270 nan 0.000 0.465 318 E N 0.105 120.321 120.200 0.026 0.000 2.256 318 E HA -0.018 4.332 4.350 -0.001 0.000 0.198 318 E C 0.281 176.915 176.600 0.056 0.000 0.908 318 E CA 0.133 56.558 56.400 0.041 0.000 0.915 318 E CB 0.149 29.874 29.700 0.042 0.000 0.890 318 E HN 0.085 nan 8.360 nan 0.000 0.484 319 L N 2.847 124.102 121.223 0.053 0.000 2.727 319 L HA 0.158 4.498 4.340 -0.001 0.000 0.237 319 L C -0.296 176.630 176.870 0.093 0.000 1.370 319 L CA 0.279 55.172 54.840 0.089 0.000 1.248 319 L CB -0.764 41.350 42.059 0.092 0.000 1.556 319 L HN 0.025 nan 8.230 nan 0.000 0.420 320 T N -3.062 111.542 114.554 0.082 0.000 2.868 320 T HA 0.473 4.823 4.350 -0.001 0.000 0.306 320 T C -2.390 172.357 174.700 0.078 0.000 1.224 320 T CA -1.475 60.670 62.100 0.075 0.000 1.012 320 T CB 1.755 70.645 68.868 0.037 0.000 1.221 320 T HN -0.167 nan 8.240 nan 0.000 0.499 321 P HA 0.022 nan 4.420 nan 0.000 0.217 321 P C 1.727 179.065 177.300 0.062 0.000 1.150 321 P CA 1.543 64.689 63.100 0.078 0.000 0.832 321 P CB -0.229 31.522 31.700 0.086 0.000 0.787 322 A N -0.028 122.824 122.820 0.053 0.000 1.908 322 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 322 A C 2.269 179.879 177.584 0.044 0.000 1.181 322 A CA 2.403 54.466 52.037 0.044 0.000 0.627 322 A CB -1.061 17.960 19.000 0.035 0.000 0.818 322 A HN 0.108 nan 8.150 nan 0.000 0.445 323 K N -0.006 120.423 120.400 0.048 0.000 2.044 323 K HA -0.044 4.276 4.320 -0.001 0.000 0.204 323 K C 1.725 178.361 176.600 0.059 0.000 1.049 323 K CA 1.829 58.146 56.287 0.050 0.000 0.945 323 K CB -0.584 31.946 32.500 0.050 0.000 0.724 323 K HN 0.462 nan 8.250 nan 0.000 0.440 324 V N -1.414 118.541 119.914 0.068 0.000 2.951 324 V HA 0.084 4.204 4.120 -0.001 0.000 0.255 324 V C 0.435 176.569 176.094 0.068 0.000 1.088 324 V CA 0.511 62.857 62.300 0.077 0.000 1.109 324 V CB -1.145 30.732 31.823 0.090 0.000 0.724 324 V HN 0.135 nan 8.190 nan 0.000 0.471 325 T N 2.615 117.202 114.554 0.056 0.000 2.819 325 T HA 0.336 4.685 4.350 -0.001 0.000 0.282 325 T C 1.336 176.058 174.700 0.037 0.000 1.013 325 T CA 1.488 63.614 62.100 0.044 0.000 1.159 325 T CB -0.028 68.865 68.868 0.041 0.000 1.007 325 T HN 1.448 nan 8.240 nan 0.000 0.514 326 G N 2.920 111.735 108.800 0.025 0.000 2.168 326 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.263 326 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.263 326 G C 0.327 175.240 174.900 0.022 0.000 0.977 326 G CA 0.502 45.610 45.100 0.015 0.000 0.659 326 G HN 1.219 nan 8.290 nan 0.000 0.533 327 T N -2.523 112.058 114.554 0.045 0.000 2.942 327 T HA 0.723 5.073 4.350 -0.001 0.000 0.289 327 T C 1.093 175.853 174.700 0.100 0.000 1.044 327 T CA -0.632 61.512 62.100 0.073 0.000 1.023 327 T CB 1.855 70.781 68.868 0.097 0.000 1.123 327 T HN 0.276 nan 8.240 nan 0.000 0.512 328 L N 1.032 122.350 121.223 0.157 0.000 2.611 328 L HA 0.256 4.595 4.340 -0.001 0.000 0.229 328 L C 1.466 178.646 176.870 0.516 0.000 1.137 328 L CA -0.216 54.778 54.840 0.256 0.000 0.901 328 L CB 0.026 42.218 42.059 0.221 0.000 1.098 328 L HN 0.729 nan 8.230 nan 0.000 0.456 329 S N 0.237 116.152 115.700 0.358 0.000 2.565 329 S HA 0.280 4.750 4.470 -0.001 0.000 0.276 329 S C 0.029 174.783 174.600 0.257 0.000 1.326 329 S CA -0.377 58.015 58.200 0.320 0.000 1.045 329 S CB 1.113 64.437 63.200 0.207 0.000 0.918 329 S HN -0.009 nan 8.310 nan 0.000 0.505 330 V N 7.967 128.012 119.914 0.219 0.000 2.271 330 V HA 0.343 4.462 4.120 -0.001 0.000 0.259 330 V C -2.157 174.002 176.094 0.108 0.000 1.030 330 V CA -1.591 60.791 62.300 0.137 0.000 0.957 330 V CB 0.645 32.509 31.823 0.067 0.000 1.186 330 V HN 0.750 nan 8.190 nan 0.000 0.471 331 P HA 0.156 nan 4.420 nan 0.000 0.268 331 P C -0.566 176.785 177.300 0.085 0.000 1.204 331 P CA 0.381 63.537 63.100 0.092 0.000 0.768 331 P CB 2.397 34.153 31.700 0.093 0.000 0.842 332 V N 2.792 122.759 119.914 0.087 0.000 2.638 332 V HA 0.841 4.961 4.120 -0.001 0.000 0.306 332 V C -0.123 176.033 176.094 0.102 0.000 1.052 332 V CA -0.088 62.270 62.300 0.096 0.000 0.885 332 V CB 1.675 33.558 31.823 0.100 0.000 0.999 332 V HN 0.858 nan 8.190 nan 0.000 0.424 333 G N 4.183 113.062 108.800 0.130 0.000 2.911 333 G HA2 0.565 4.524 3.960 -0.001 0.000 0.299 333 G HA3 0.565 4.524 3.960 -0.001 0.000 0.299 333 G C -0.496 174.475 174.900 0.118 0.000 1.283 333 G CA -0.690 44.476 45.100 0.110 0.000 0.805 333 G HN 0.783 nan 8.290 nan 0.000 0.548 334 R N -1.249 119.295 120.500 0.074 0.000 3.516 334 R HA -0.140 4.200 4.340 -0.001 0.000 0.271 334 R C -0.014 176.329 176.300 0.071 0.000 1.098 334 R CA 0.262 56.395 56.100 0.056 0.000 0.732 334 R CB -2.546 27.787 30.300 0.054 0.000 1.152 334 R HN 0.439 nan 8.270 nan 0.000 0.455 335 L N 1.664 122.925 121.223 0.064 0.000 2.361 335 L HA 0.292 4.631 4.340 -0.001 0.000 0.278 335 L C 1.218 178.113 176.870 0.041 0.000 1.113 335 L CA 0.309 55.184 54.840 0.058 0.000 0.849 335 L CB 0.486 42.574 42.059 0.049 0.000 1.155 335 L HN 0.301 nan 8.230 nan 0.000 0.452 336 R N 1.981 122.506 120.500 0.042 0.000 2.774 336 R HA 0.412 4.751 4.340 -0.001 0.000 0.279 336 R C -1.641 174.682 176.300 0.038 0.000 1.022 336 R CA -1.205 54.914 56.100 0.033 0.000 0.855 336 R CB 0.911 31.229 30.300 0.030 0.000 1.279 336 R HN 0.101 nan 8.270 nan 0.000 0.485 337 K N 1.366 121.785 120.400 0.033 0.000 2.237 337 K HA 0.360 4.679 4.320 -0.001 0.000 0.270 337 K C -0.091 176.542 176.600 0.056 0.000 1.015 337 K CA -0.389 55.925 56.287 0.044 0.000 0.949 337 K CB 0.649 33.170 32.500 0.035 0.000 0.976 337 K HN 0.452 nan 8.250 nan 0.000 0.472 338 L N 1.115 122.388 121.223 0.084 0.000 2.360 338 L HA 0.222 4.561 4.340 -0.001 0.000 0.271 338 L C 1.480 178.366 176.870 0.027 0.000 1.057 338 L CA -0.386 54.494 54.840 0.066 0.000 0.803 338 L CB 1.428 43.547 42.059 0.100 0.000 1.207 338 L HN 0.741 nan 8.230 nan 0.000 0.445 339 A N 2.169 124.984 122.820 -0.008 0.000 2.076 339 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 339 A C 1.879 179.417 177.584 -0.076 0.000 1.160 339 A CA 1.583 53.603 52.037 -0.028 0.000 0.653 339 A CB -0.497 18.488 19.000 -0.026 0.000 0.801 339 A HN 0.818 nan 8.150 nan 0.000 0.455 340 M N -1.077 118.411 119.600 -0.185 0.000 2.557 340 M HA 0.203 4.683 4.480 -0.001 0.000 0.259 340 M C 0.910 177.085 176.300 -0.209 0.000 1.086 340 M CA 1.241 56.317 55.300 -0.374 0.000 1.096 340 M CB -0.083 31.945 32.600 -0.953 0.000 1.424 340 M HN 0.525 nan 8.290 nan 0.000 0.488 341 G N -1.041 107.772 108.800 0.022 0.000 2.312 341 G HA2 0.069 4.028 3.960 -0.001 0.000 0.347 341 G HA3 0.069 4.028 3.960 -0.001 0.000 0.347 341 G C -2.737 172.297 174.900 0.222 0.000 1.564 341 G CA -0.993 44.213 45.100 0.178 0.000 0.981 341 G HN -0.113 nan 8.290 nan 0.000 0.678 342 P HA -0.057 nan 4.420 nan 0.000 0.226 342 P C 0.942 178.257 177.300 0.024 0.000 1.146 342 P CA 1.063 64.199 63.100 0.060 0.000 0.773 342 P CB 0.346 32.063 31.700 0.028 0.000 0.772 343 E N -0.818 119.401 120.200 0.032 0.000 2.358 343 E HA -0.047 4.303 4.350 -0.001 0.000 0.195 343 E C 0.190 176.585 176.600 -0.342 0.000 1.010 343 E CA 0.429 56.724 56.400 -0.177 0.000 0.856 343 E CB -0.303 29.240 29.700 -0.262 0.000 0.795 343 E HN 0.496 nan 8.360 nan 0.000 0.504 344 Y N 0.616 120.855 120.300 -0.101 0.000 2.341 344 Y HA 0.313 4.863 4.550 -0.001 0.000 0.340 344 Y C 0.159 176.011 175.900 -0.081 0.000 0.997 344 Y CA -0.930 57.102 58.100 -0.114 0.000 1.149 344 Y CB 0.947 39.380 38.460 -0.046 0.000 1.171 344 Y HN -0.108 nan 8.280 nan 0.000 0.494 345 L N 3.563 124.784 121.223 -0.003 0.000 2.346 345 L HA 0.906 5.245 4.340 -0.001 0.000 0.276 345 L C -0.675 176.231 176.870 0.060 0.000 1.006 345 L CA -0.693 54.152 54.840 0.008 0.000 0.817 345 L CB 1.366 43.392 42.059 -0.056 0.000 1.272 345 L HN 0.629 nan 8.230 nan 0.000 0.421 346 A N 4.154 127.026 122.820 0.086 0.000 2.305 346 A HA 0.965 5.284 4.320 -0.001 0.000 0.322 346 A C -0.652 177.017 177.584 0.141 0.000 1.187 346 A CA 0.108 52.220 52.037 0.126 0.000 0.825 346 A CB 0.945 20.011 19.000 0.110 0.000 1.164 346 A HN 1.329 nan 8.150 nan 0.000 0.498 347 A N 1.318 124.259 122.820 0.202 0.000 2.574 347 A HA 0.730 5.049 4.320 -0.001 0.000 0.297 347 A C -1.562 176.132 177.584 0.182 0.000 1.062 347 A CA -0.349 51.817 52.037 0.215 0.000 0.686 347 A CB 0.981 20.142 19.000 0.269 0.000 1.285 347 A HN 1.440 nan 8.150 nan 0.000 0.403 348 F N 1.033 120.970 119.950 -0.021 0.000 2.547 348 F HA 0.738 5.264 4.527 -0.001 0.000 0.316 348 F C 0.029 175.764 175.800 -0.108 0.000 1.121 348 F CA 0.105 58.021 58.000 -0.140 0.000 0.911 348 F CB 2.319 41.247 39.000 -0.120 0.000 1.179 348 F HN 0.679 nan 8.300 nan 0.000 0.443 349 T N 4.680 118.827 114.554 -0.678 0.000 2.906 349 T HA 0.796 5.146 4.350 -0.001 0.000 0.295 349 T C -1.887 172.590 174.700 -0.372 0.000 1.075 349 T CA -0.497 61.420 62.100 -0.304 0.000 1.005 349 T CB 1.493 70.297 68.868 -0.105 0.000 1.136 349 T HN 0.398 nan 8.240 nan 0.000 0.498 350 V N 2.029 121.888 119.914 -0.091 0.000 2.686 350 V HA 0.877 4.996 4.120 -0.001 0.000 0.306 350 V C 0.352 176.472 176.094 0.044 0.000 1.065 350 V CA -0.574 61.715 62.300 -0.018 0.000 0.894 350 V CB 1.654 33.520 31.823 0.073 0.000 1.004 350 V HN 1.153 nan 8.190 nan 0.000 0.424 351 G N 1.485 110.321 108.800 0.060 0.000 2.706 351 G HA2 0.462 4.422 3.960 -0.001 0.000 0.297 351 G HA3 0.462 4.422 3.960 -0.001 0.000 0.297 351 G C -1.601 173.337 174.900 0.063 0.000 1.403 351 G CA -0.491 44.662 45.100 0.088 0.000 0.954 351 G HN 0.603 nan 8.290 nan 0.000 0.500 352 D N 0.973 121.415 120.400 0.070 0.000 2.371 352 D HA -0.008 4.632 4.640 -0.001 0.000 0.256 352 D C 1.132 177.403 176.300 -0.048 0.000 1.193 352 D CA -0.188 53.818 54.000 0.010 0.000 0.881 352 D CB 1.382 42.195 40.800 0.021 0.000 1.143 352 D HN 0.424 nan 8.370 nan 0.000 0.473 353 Q N 4.105 123.799 119.800 -0.176 0.000 2.170 353 Q HA -0.135 4.205 4.340 -0.001 0.000 0.203 353 Q C 1.750 177.677 176.000 -0.122 0.000 0.976 353 Q CA 1.043 56.676 55.803 -0.284 0.000 0.858 353 Q CB 0.120 28.499 28.738 -0.599 0.000 0.907 353 Q HN 0.690 nan 8.270 nan 0.000 0.433 354 L N -0.069 121.103 121.223 -0.085 0.000 2.313 354 L HA -0.057 4.282 4.340 -0.001 0.000 0.214 354 L C 2.102 178.926 176.870 -0.078 0.000 1.119 354 L CA 0.196 55.001 54.840 -0.058 0.000 0.809 354 L CB -0.061 41.973 42.059 -0.041 0.000 0.933 354 L HN 0.163 nan 8.230 nan 0.000 0.449 355 L N -1.955 119.210 121.223 -0.097 0.000 2.292 355 L HA -0.020 4.320 4.340 -0.001 0.000 0.196 355 L C 2.025 178.757 176.870 -0.230 0.000 1.246 355 L CA 0.874 55.590 54.840 -0.208 0.000 0.864 355 L CB -0.614 41.293 42.059 -0.253 0.000 1.044 355 L HN 0.137 nan 8.230 nan 0.000 0.504 356 W N 0.115 121.345 121.300 -0.117 0.000 2.525 356 W HA -0.023 4.637 4.660 -0.000 0.000 0.259 356 W C 1.983 178.450 176.519 -0.086 0.000 1.253 356 W CA 0.607 57.871 57.345 -0.135 0.000 1.262 356 W CB -0.184 29.187 29.460 -0.150 0.000 1.122 356 W HN 0.253 nan 8.180 nan 0.000 0.607 357 G N -1.069 107.805 108.800 0.124 0.000 3.042 357 G HA2 0.353 4.313 3.960 -0.001 0.000 0.212 357 G HA3 0.353 4.313 3.960 -0.001 0.000 0.212 357 G C 0.699 175.625 174.900 0.042 0.000 1.166 357 G CA 0.657 45.801 45.100 0.074 0.000 0.767 357 G HN 0.221 nan 8.290 nan 0.000 0.546 358 A N -0.445 122.384 122.820 0.015 0.000 1.634 358 A HA 0.675 4.994 4.320 -0.001 0.000 0.133 358 A C 2.001 179.573 177.584 -0.021 0.000 1.478 358 A CA 1.195 53.235 52.037 0.005 0.000 2.214 358 A CB -0.948 18.051 19.000 -0.002 0.000 2.224 358 A HN 0.637 nan 8.150 nan 0.000 1.292 359 A N -0.327 122.457 122.820 -0.059 0.000 1.929 359 A HA 0.061 4.380 4.320 -0.001 0.000 0.216 359 A C 1.748 179.243 177.584 -0.150 0.000 1.176 359 A CA 2.273 54.264 52.037 -0.077 0.000 0.628 359 A CB -0.449 18.509 19.000 -0.069 0.000 0.816 359 A HN 0.521 nan 8.150 nan 0.000 0.444 360 E N 0.235 120.271 120.200 -0.273 0.000 2.077 360 E HA -0.095 4.255 4.350 -0.001 0.000 0.193 360 E C -0.717 175.688 176.600 -0.324 0.000 0.989 360 E CA 1.788 57.902 56.400 -0.477 0.000 0.800 360 E CB -0.974 28.102 29.700 -1.039 0.000 0.746 360 E HN 0.426 nan 8.360 nan 0.000 0.452 361 P HA -0.114 nan 4.420 nan 0.000 0.218 361 P C 1.315 178.604 177.300 -0.019 0.000 1.149 361 P CA 0.883 63.995 63.100 0.019 0.000 0.817 361 P CB 0.126 31.886 31.700 0.099 0.000 0.785 362 V N -0.061 119.831 119.914 -0.037 0.000 2.307 362 V HA -0.218 3.902 4.120 -0.001 0.000 0.245 362 V C 2.636 178.691 176.094 -0.064 0.000 1.045 362 V CA 1.727 64.010 62.300 -0.029 0.000 1.024 362 V CB -0.927 30.888 31.823 -0.014 0.000 0.651 362 V HN 0.049 nan 8.190 nan 0.000 0.449 363 R N -0.070 120.375 120.500 -0.093 0.000 2.117 363 R HA -0.193 4.146 4.340 -0.001 0.000 0.243 363 R C 2.512 178.744 176.300 -0.114 0.000 1.143 363 R CA 1.780 57.814 56.100 -0.111 0.000 0.968 363 R CB -0.167 30.044 30.300 -0.149 0.000 0.863 363 R HN 0.446 nan 8.270 nan 0.000 0.444 364 R N -0.173 120.260 120.500 -0.111 0.000 2.092 364 R HA -0.115 4.225 4.340 -0.001 0.000 0.231 364 R C 2.289 178.535 176.300 -0.090 0.000 1.119 364 R CA 1.249 57.302 56.100 -0.077 0.000 0.970 364 R CB -0.375 29.906 30.300 -0.031 0.000 0.864 364 R HN 0.219 nan 8.270 nan 0.000 0.440 365 I N 0.975 121.481 120.570 -0.107 0.000 2.252 365 I HA -0.197 3.972 4.170 -0.001 0.000 0.245 365 I C 1.929 177.914 176.117 -0.221 0.000 1.102 365 I CA 1.050 62.237 61.300 -0.188 0.000 1.385 365 I CB -0.319 37.557 38.000 -0.206 0.000 1.064 365 I HN 0.057 nan 8.210 nan 0.000 0.414 366 L N 1.082 122.203 121.223 -0.169 0.000 2.013 366 L HA -0.258 4.082 4.340 -0.001 0.000 0.212 366 L C 2.503 179.276 176.870 -0.162 0.000 1.073 366 L CA 2.257 56.995 54.840 -0.171 0.000 0.753 366 L CB -1.126 40.857 42.059 -0.126 0.000 0.890 366 L HN 0.332 nan 8.230 nan 0.000 0.432 367 K N -0.963 119.357 120.400 -0.133 0.000 2.074 367 K HA -0.267 4.053 4.320 -0.001 0.000 0.209 367 K C 2.119 178.648 176.600 -0.118 0.000 1.048 367 K CA 2.171 58.392 56.287 -0.110 0.000 0.926 367 K CB -0.181 32.270 32.500 -0.083 0.000 0.713 367 K HN 0.579 nan 8.250 nan 0.000 0.444 368 Q N 0.206 119.920 119.800 -0.143 0.000 2.079 368 Q HA -0.095 4.244 4.340 -0.001 0.000 0.200 368 Q C 2.175 178.051 176.000 -0.206 0.000 0.974 368 Q CA 1.343 57.053 55.803 -0.155 0.000 0.840 368 Q CB -0.024 28.610 28.738 -0.174 0.000 0.898 368 Q HN 0.357 nan 8.270 nan 0.000 0.430 369 L N 0.434 121.484 121.223 -0.289 0.000 2.362 369 L HA -0.095 4.245 4.340 -0.001 0.000 0.219 369 L C 1.998 178.714 176.870 -0.257 0.000 1.134 369 L CA 0.540 55.150 54.840 -0.383 0.000 0.807 369 L CB -0.216 41.526 42.059 -0.528 0.000 0.927 369 L HN 0.204 nan 8.230 nan 0.000 0.447 370 V N -4.449 115.362 119.914 -0.171 0.000 3.578 370 V HA 0.437 4.556 4.120 -0.001 0.000 0.290 370 V C 1.212 177.261 176.094 -0.076 0.000 1.376 370 V CA -0.081 62.155 62.300 -0.107 0.000 1.083 370 V CB -0.517 31.258 31.823 -0.080 0.000 0.911 370 V HN 0.134 nan 8.190 nan 0.000 0.433 371 A N 0.000 122.770 122.820 -0.084 0.000 2.254 371 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 371 A CA 0.000 52.003 52.037 -0.056 0.000 0.836 371 A CB 0.000 18.966 19.000 -0.057 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486