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 1b62_1_A DATA FIRST_RESID -2 DATA SEQUENCE HHXMPIQVLP PQLANQIAAG EVVERPASVV KELVENSLDA GATRIDIDIE DATA SEQUENCE RGGAKLIRIR DNGCGIKKDE LALALARHAT SKIASLDDLE AIISLGFRGE DATA SEQUENCE ALASISSVSR LTLTSRTAEQ QEAWQAYAEG RDMNVTVKPA AHPVGTTLEV DATA SEQUENCE LDLFYNTPAR RKFLRTEKTE FNHIDEIIRR IALARFDVTI NLSHNGKIVR DATA SEQUENCE QYRAVPEGGQ KERRLGAICG TAFLEQALAI EWQHGDLTLR GWVADPNHTT DATA SEQUENCE PALAEIQYCY VNGRMMRDRL INHAIRQACE DKLGADQQPA FVLYLEIDPH DATA SEQUENCE QVDVNVHPXK HEVRFHQSRL VHDFIYQGVL SVLQQ 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 -2 H HA 0.000 nan 4.556 nan 0.000 0.296 -2 H C 0.000 175.348 175.328 0.033 0.000 0.993 -2 H CA 0.000 56.066 56.048 0.030 0.000 1.023 -2 H CB 0.000 29.775 29.762 0.021 0.000 1.292 2 P HA 0.376 nan 4.420 nan 0.000 0.274 2 P C -0.920 176.373 177.300 -0.011 0.000 1.246 2 P CA -0.254 62.827 63.100 -0.032 0.000 0.795 2 P CB 0.796 32.474 31.700 -0.037 0.000 1.006 3 I N 1.227 121.791 120.570 -0.010 0.000 2.471 3 I HA 0.132 4.303 4.170 0.001 0.000 0.286 3 I C 0.867 176.982 176.117 -0.004 0.000 1.079 3 I CA 0.426 61.724 61.300 -0.003 0.000 1.398 3 I CB 0.122 38.120 38.000 -0.004 0.000 1.403 3 I HN 0.397 nan 8.210 nan 0.000 0.530 4 Q N 5.182 124.982 119.800 0.000 0.000 2.345 4 Q HA 0.402 4.743 4.340 0.001 0.000 0.275 4 Q C -1.429 174.574 176.000 0.004 0.000 1.063 4 Q CA -0.774 55.030 55.803 0.001 0.000 0.819 4 Q CB 2.651 31.390 28.738 0.000 0.000 1.356 4 Q HN 0.419 nan 8.270 nan 0.000 0.418 5 V N 4.181 124.098 119.914 0.005 0.000 2.599 5 V HA 0.021 4.142 4.120 0.001 0.000 0.300 5 V C 0.289 176.388 176.094 0.009 0.000 1.034 5 V CA 0.288 62.593 62.300 0.008 0.000 1.115 5 V CB 0.286 32.115 31.823 0.009 0.000 0.934 5 V HN 0.691 nan 8.190 nan 0.000 0.485 6 L N 7.658 128.887 121.223 0.011 0.000 2.367 6 L HA 0.299 4.640 4.340 0.001 0.000 0.275 6 L C -1.931 174.945 176.870 0.010 0.000 1.129 6 L CA -1.471 53.374 54.840 0.009 0.000 0.839 6 L CB 0.494 42.558 42.059 0.009 0.000 1.133 6 L HN 0.483 nan 8.230 nan 0.000 0.453 7 P HA 0.046 nan 4.420 nan 0.000 0.269 7 P C -2.034 175.269 177.300 0.005 0.000 1.217 7 P CA -0.897 62.207 63.100 0.007 0.000 0.783 7 P CB 0.120 31.824 31.700 0.006 0.000 0.898 8 P HA -0.257 nan 4.420 nan 0.000 0.214 8 P C 1.606 178.904 177.300 -0.003 0.000 1.169 8 P CA 1.589 64.688 63.100 -0.001 0.000 0.908 8 P CB -0.065 31.635 31.700 -0.000 0.000 0.791 9 Q N -0.912 118.891 119.800 0.004 0.000 2.020 9 Q HA -0.204 4.137 4.340 0.001 0.000 0.202 9 Q C 2.071 178.070 176.000 -0.001 0.000 0.982 9 Q CA 1.424 57.230 55.803 0.006 0.000 0.838 9 Q CB -0.819 27.925 28.738 0.011 0.000 0.899 9 Q HN 0.033 nan 8.270 nan 0.000 0.423 10 L N 0.697 121.918 121.223 -0.002 0.000 2.012 10 L HA -0.144 4.197 4.340 0.001 0.000 0.210 10 L C 2.238 179.106 176.870 -0.004 0.000 1.073 10 L CA 2.367 57.204 54.840 -0.006 0.000 0.748 10 L CB -1.044 41.012 42.059 -0.004 0.000 0.891 10 L HN 0.295 nan 8.230 nan 0.000 0.431 11 A N -0.507 122.312 122.820 -0.002 0.000 1.908 11 A HA -0.243 4.077 4.320 0.001 0.000 0.218 11 A C 2.129 179.708 177.584 -0.008 0.000 1.181 11 A CA 2.002 54.039 52.037 0.000 0.000 0.627 11 A CB -0.809 18.195 19.000 0.006 0.000 0.818 11 A HN 0.651 nan 8.150 nan 0.000 0.445 12 N N -0.294 118.397 118.700 -0.014 0.000 2.188 12 N HA -0.136 4.604 4.740 0.001 0.000 0.184 12 N C 1.909 177.419 175.510 -0.002 0.000 1.018 12 N CA 1.438 54.477 53.050 -0.019 0.000 0.858 12 N CB -0.349 38.126 38.487 -0.020 0.000 0.989 12 N HN 0.685 nan 8.380 nan 0.000 0.426 13 Q N 0.490 120.292 119.800 0.003 0.000 2.119 13 Q HA 0.015 4.356 4.340 0.001 0.000 0.201 13 Q C 2.122 178.123 176.000 0.001 0.000 0.972 13 Q CA 0.783 56.592 55.803 0.010 0.000 0.847 13 Q CB 0.011 28.747 28.738 -0.003 0.000 0.903 13 Q HN 0.393 nan 8.270 nan 0.000 0.433 14 I N 0.775 121.341 120.570 -0.007 0.000 2.226 14 I HA -0.271 3.900 4.170 0.001 0.000 0.245 14 I C 2.435 178.548 176.117 -0.006 0.000 1.100 14 I CA 0.918 62.211 61.300 -0.012 0.000 1.374 14 I CB -0.388 37.607 38.000 -0.009 0.000 1.057 14 I HN 0.165 nan 8.210 nan 0.000 0.413 15 A N 0.818 123.636 122.820 -0.003 0.000 1.902 15 A HA -0.174 4.147 4.320 0.001 0.000 0.217 15 A C 2.541 180.131 177.584 0.009 0.000 1.181 15 A CA 1.771 53.805 52.037 -0.005 0.000 0.623 15 A CB -0.869 18.122 19.000 -0.016 0.000 0.818 15 A HN 0.428 nan 8.150 nan 0.000 0.443 16 A N -0.449 122.385 122.820 0.023 0.000 2.084 16 A HA 0.060 4.381 4.320 0.001 0.000 0.221 16 A C 2.299 179.924 177.584 0.068 0.000 1.161 16 A CA 1.870 53.942 52.037 0.059 0.000 0.653 16 A CB -1.310 17.744 19.000 0.090 0.000 0.802 16 A HN 0.793 nan 8.150 nan 0.000 0.457 17 G N -0.652 108.163 108.800 0.025 0.000 2.448 17 G HA2 -0.165 3.796 3.960 0.001 0.000 0.219 17 G HA3 -0.165 3.796 3.960 0.001 0.000 0.219 17 G C 1.412 176.323 174.900 0.019 0.000 1.127 17 G CA 1.056 46.151 45.100 -0.008 0.000 0.766 17 G HN 0.703 nan 8.290 nan 0.000 0.552 18 E N -0.764 119.468 120.200 0.053 0.000 2.162 18 E HA 0.102 4.453 4.350 0.001 0.000 0.193 18 E C 2.450 179.151 176.600 0.168 0.000 0.953 18 E CA 0.301 56.775 56.400 0.122 0.000 0.849 18 E CB 0.035 29.813 29.700 0.130 0.000 0.810 18 E HN 0.214 nan 8.360 nan 0.000 0.470 19 V N 1.055 121.038 119.914 0.115 0.000 2.488 19 V HA -0.027 4.094 4.120 0.001 0.000 0.246 19 V C 0.809 176.957 176.094 0.091 0.000 1.046 19 V CA 0.896 63.261 62.300 0.109 0.000 1.053 19 V CB 0.437 32.288 31.823 0.047 0.000 0.679 19 V HN -0.041 nan 8.190 nan 0.000 0.458 20 V N 2.112 122.087 119.914 0.101 0.000 2.217 20 V HA 0.268 4.388 4.120 0.001 0.000 0.264 20 V C 1.210 177.413 176.094 0.181 0.000 1.107 20 V CA 0.276 62.652 62.300 0.126 0.000 0.913 20 V CB 0.372 32.291 31.823 0.159 0.000 1.153 20 V HN 0.594 nan 8.190 nan 0.000 0.469 21 E N 4.328 124.596 120.200 0.114 0.000 2.072 21 E HA -0.056 4.295 4.350 0.001 0.000 0.190 21 E C 1.000 177.687 176.600 0.145 0.000 0.982 21 E CA 0.884 57.337 56.400 0.088 0.000 0.803 21 E CB 0.417 30.135 29.700 0.029 0.000 0.755 21 E HN 0.795 nan 8.360 nan 0.000 0.453 22 R N -2.854 117.713 120.500 0.111 0.000 2.764 22 R HA 0.222 4.563 4.340 0.001 0.000 0.276 22 R C -2.605 173.688 176.300 -0.011 0.000 1.021 22 R CA -1.155 55.000 56.100 0.091 0.000 0.870 22 R CB 0.360 30.658 30.300 -0.003 0.000 1.293 22 R HN -0.319 nan 8.270 nan 0.000 0.469 23 P HA -0.203 nan 4.420 nan 0.000 0.217 23 P C 1.218 178.493 177.300 -0.040 0.000 1.151 23 P CA 2.777 65.835 63.100 -0.070 0.000 0.849 23 P CB -0.060 31.615 31.700 -0.041 0.000 0.787 24 A N -0.910 121.898 122.820 -0.020 0.000 1.978 24 A HA -0.202 4.119 4.320 0.001 0.000 0.220 24 A C 2.307 179.896 177.584 0.007 0.000 1.170 24 A CA 2.160 54.196 52.037 -0.003 0.000 0.636 24 A CB -1.481 17.545 19.000 0.043 0.000 0.810 24 A HN 0.146 nan 8.150 nan 0.000 0.448 25 S N -0.496 115.210 115.700 0.010 0.000 2.368 25 S HA -0.124 4.347 4.470 0.001 0.000 0.225 25 S C 1.882 176.485 174.600 0.005 0.000 1.030 25 S CA 1.395 59.608 58.200 0.023 0.000 0.999 25 S CB -0.454 62.767 63.200 0.036 0.000 0.844 25 S HN 0.369 nan 8.310 nan 0.000 0.459 26 V N 1.582 121.485 119.914 -0.018 0.000 2.343 26 V HA -0.140 3.981 4.120 0.001 0.000 0.247 26 V C 2.321 178.405 176.094 -0.016 0.000 1.051 26 V CA 1.400 63.684 62.300 -0.027 0.000 1.036 26 V CB -0.769 31.020 31.823 -0.058 0.000 0.654 26 V HN 0.334 nan 8.190 nan 0.000 0.451 27 V N 0.183 120.087 119.914 -0.017 0.000 2.343 27 V HA -0.317 3.804 4.120 0.001 0.000 0.247 27 V C 2.434 178.526 176.094 -0.002 0.000 1.051 27 V CA 2.466 64.760 62.300 -0.011 0.000 1.036 27 V CB -0.731 31.079 31.823 -0.021 0.000 0.654 27 V HN 0.604 nan 8.190 nan 0.000 0.451 28 K N -0.068 120.334 120.400 0.003 0.000 2.009 28 K HA -0.243 4.078 4.320 0.001 0.000 0.210 28 K C 2.194 178.795 176.600 0.001 0.000 1.049 28 K CA 1.862 58.153 56.287 0.008 0.000 0.929 28 K CB -0.178 32.334 32.500 0.020 0.000 0.714 28 K HN 0.389 nan 8.250 nan 0.000 0.440 29 E N 1.057 121.256 120.200 -0.002 0.000 2.058 29 E HA -0.193 4.158 4.350 0.001 0.000 0.194 29 E C 2.192 178.788 176.600 -0.007 0.000 0.997 29 E CA 1.237 57.631 56.400 -0.010 0.000 0.801 29 E CB -0.304 29.388 29.700 -0.012 0.000 0.746 29 E HN 0.414 nan 8.360 nan 0.000 0.450 30 L N 0.379 121.600 121.223 -0.003 0.000 2.056 30 L HA -0.135 4.206 4.340 0.001 0.000 0.207 30 L C 2.602 179.478 176.870 0.009 0.000 1.078 30 L CA 0.832 55.673 54.840 0.003 0.000 0.749 30 L CB -0.698 41.364 42.059 0.004 0.000 0.901 30 L HN -0.012 nan 8.230 nan 0.000 0.433 31 V N 0.101 120.021 119.914 0.011 0.000 2.407 31 V HA -0.239 3.882 4.120 0.001 0.000 0.248 31 V C 2.387 178.492 176.094 0.018 0.000 1.055 31 V CA 1.663 63.973 62.300 0.017 0.000 1.049 31 V CB -0.505 31.327 31.823 0.016 0.000 0.662 31 V HN 0.468 nan 8.190 nan 0.000 0.455 32 E N 0.110 120.318 120.200 0.013 0.000 2.150 32 E HA -0.188 4.163 4.350 0.001 0.000 0.193 32 E C 2.015 178.625 176.600 0.017 0.000 0.985 32 E CA 1.058 57.468 56.400 0.016 0.000 0.814 32 E CB -0.220 29.484 29.700 0.007 0.000 0.752 32 E HN 0.576 nan 8.360 nan 0.000 0.466 33 N N 0.570 119.276 118.700 0.011 0.000 2.188 33 N HA -0.076 4.664 4.740 0.001 0.000 0.184 33 N C 1.870 177.392 175.510 0.020 0.000 1.018 33 N CA 0.902 53.959 53.050 0.012 0.000 0.858 33 N CB -0.184 38.306 38.487 0.005 0.000 0.989 33 N HN -0.016 nan 8.380 nan 0.000 0.426 34 S N 1.195 116.908 115.700 0.023 0.000 2.382 34 S HA 0.020 4.491 4.470 0.001 0.000 0.228 34 S C 2.128 176.747 174.600 0.032 0.000 1.027 34 S CA 0.584 58.801 58.200 0.029 0.000 0.991 34 S CB -0.176 63.042 63.200 0.032 0.000 0.823 34 S HN 0.257 nan 8.310 nan 0.000 0.469 35 L N 1.405 122.647 121.223 0.032 0.000 2.017 35 L HA -0.143 4.198 4.340 0.001 0.000 0.208 35 L C 2.118 179.010 176.870 0.038 0.000 1.073 35 L CA 1.165 56.026 54.840 0.036 0.000 0.745 35 L CB -0.690 41.392 42.059 0.037 0.000 0.894 35 L HN 0.206 nan 8.230 nan 0.000 0.432 36 D N 0.431 120.853 120.400 0.037 0.000 2.178 36 D HA -0.133 4.508 4.640 0.001 0.000 0.201 36 D C 1.976 178.297 176.300 0.035 0.000 0.980 36 D CA 1.397 55.420 54.000 0.039 0.000 0.842 36 D CB 0.019 40.843 40.800 0.039 0.000 0.948 36 D HN 0.296 nan 8.370 nan 0.000 0.472 37 A N -0.075 122.764 122.820 0.032 0.000 2.252 37 A HA 0.366 4.686 4.320 0.001 0.000 0.207 37 A C 1.649 179.252 177.584 0.033 0.000 1.194 37 A CA 0.934 52.989 52.037 0.030 0.000 0.809 37 A CB -0.494 18.522 19.000 0.028 0.000 0.814 37 A HN 0.237 nan 8.150 nan 0.000 0.482 38 G N -1.644 107.176 108.800 0.034 0.000 2.176 38 G HA2 0.069 4.030 3.960 0.001 0.000 0.252 38 G HA3 0.069 4.030 3.960 0.001 0.000 0.252 38 G C 0.411 175.333 174.900 0.036 0.000 1.024 38 G CA 0.391 45.512 45.100 0.035 0.000 0.755 38 G HN 1.600 nan 8.290 nan 0.000 0.507 39 A N -0.924 121.918 122.820 0.037 0.000 2.425 39 A HA 0.705 5.026 4.320 0.001 0.000 0.242 39 A C 1.358 178.965 177.584 0.038 0.000 1.077 39 A CA 1.355 53.415 52.037 0.039 0.000 0.781 39 A CB 0.543 19.567 19.000 0.040 0.000 1.020 39 A HN 0.688 nan 8.150 nan 0.000 0.494 40 T N 0.184 114.760 114.554 0.037 0.000 2.990 40 T HA 0.203 4.554 4.350 0.001 0.000 0.250 40 T C 0.738 175.460 174.700 0.037 0.000 1.041 40 T CA 0.474 62.597 62.100 0.037 0.000 1.010 40 T CB -0.069 68.820 68.868 0.035 0.000 1.003 40 T HN 0.695 nan 8.240 nan 0.000 0.499 41 R N 0.998 121.519 120.500 0.036 0.000 2.564 41 R HA 0.602 4.943 4.340 0.001 0.000 0.284 41 R C -2.089 174.232 176.300 0.035 0.000 1.031 41 R CA -0.524 55.596 56.100 0.034 0.000 0.904 41 R CB 1.094 31.411 30.300 0.027 0.000 1.199 41 R HN 0.132 nan 8.270 nan 0.000 0.443 42 I N 3.468 124.059 120.570 0.035 0.000 2.466 42 I HA 0.322 4.493 4.170 0.001 0.000 0.289 42 I C -0.902 175.233 176.117 0.030 0.000 1.026 42 I CA -0.873 60.449 61.300 0.036 0.000 1.078 42 I CB 2.260 40.283 38.000 0.037 0.000 1.249 42 I HN 0.478 nan 8.210 nan 0.000 0.429 43 D N 7.803 128.220 120.400 0.029 0.000 2.344 43 D HA 0.528 5.168 4.640 0.001 0.000 0.239 43 D C -0.523 175.794 176.300 0.029 0.000 1.064 43 D CA -0.158 53.855 54.000 0.022 0.000 0.829 43 D CB 2.772 43.581 40.800 0.016 0.000 1.129 43 D HN 0.304 nan 8.370 nan 0.000 0.506 44 I N 2.118 122.706 120.570 0.030 0.000 2.382 44 I HA 0.190 4.361 4.170 0.001 0.000 0.286 44 I C -0.376 175.772 176.117 0.053 0.000 1.002 44 I CA -0.710 60.613 61.300 0.039 0.000 1.135 44 I CB 1.705 39.728 38.000 0.038 0.000 1.288 44 I HN -0.003 nan 8.210 nan 0.000 0.448 45 D N 7.555 127.986 120.400 0.051 0.000 2.308 45 D HA 0.494 5.135 4.640 0.001 0.000 0.242 45 D C -0.435 175.909 176.300 0.074 0.000 1.059 45 D CA -0.243 53.794 54.000 0.061 0.000 0.830 45 D CB 2.706 43.530 40.800 0.040 0.000 1.161 45 D HN 0.145 nan 8.370 nan 0.000 0.494 46 I N 1.200 121.838 120.570 0.113 0.000 2.603 46 I HA 0.326 4.497 4.170 0.001 0.000 0.300 46 I C 0.207 176.434 176.117 0.184 0.000 1.017 46 I CA -0.628 60.745 61.300 0.120 0.000 1.098 46 I CB 1.879 39.957 38.000 0.130 0.000 1.279 46 I HN 0.216 nan 8.210 nan 0.000 0.437 47 E N 4.546 124.838 120.200 0.154 0.000 2.241 47 E HA 0.475 4.826 4.350 0.001 0.000 0.263 47 E C -0.828 175.878 176.600 0.177 0.000 0.882 47 E CA -0.727 55.771 56.400 0.163 0.000 0.769 47 E CB 1.527 31.269 29.700 0.069 0.000 1.185 47 E HN 0.372 nan 8.360 nan 0.000 0.415 48 R N 1.757 122.406 120.500 0.248 0.000 3.267 48 R HA -0.244 4.097 4.340 0.001 0.000 0.254 48 R C 0.684 177.130 176.300 0.243 0.000 0.993 48 R CA 0.524 56.754 56.100 0.218 0.000 0.670 48 R CB -1.946 28.412 30.300 0.098 0.000 1.125 48 R HN 1.085 nan 8.270 nan 0.000 0.434 49 G N -1.728 107.279 108.800 0.345 0.000 2.175 49 G HA2 -0.231 3.730 3.960 0.001 0.000 0.265 49 G HA3 -0.231 3.730 3.960 0.001 0.000 0.265 49 G C 0.964 175.921 174.900 0.094 0.000 0.979 49 G CA 1.024 46.229 45.100 0.174 0.000 0.663 49 G HN 1.590 nan 8.290 nan 0.000 0.533 50 G N -1.456 107.393 108.800 0.081 0.000 2.195 50 G HA2 0.115 4.076 3.960 0.001 0.000 0.246 50 G HA3 0.115 4.076 3.960 0.001 0.000 0.246 50 G C 1.482 176.384 174.900 0.004 0.000 0.984 50 G CA 1.240 46.358 45.100 0.031 0.000 0.633 50 G HN 2.033 nan 8.290 nan 0.000 0.525 51 A N -0.408 122.432 122.820 0.033 0.000 2.066 51 A HA 0.316 4.637 4.320 0.001 0.000 0.218 51 A C 2.095 179.691 177.584 0.020 0.000 1.157 51 A CA 2.320 54.371 52.037 0.024 0.000 0.670 51 A CB -0.190 18.851 19.000 0.068 0.000 0.804 51 A HN 0.344 nan 8.150 nan 0.000 0.453 52 K N -1.187 119.230 120.400 0.029 0.000 2.240 52 K HA 0.339 4.659 4.320 0.001 0.000 0.202 52 K C 0.038 176.637 176.600 -0.001 0.000 1.053 52 K CA 0.513 56.810 56.287 0.017 0.000 0.973 52 K CB 0.075 32.592 32.500 0.028 0.000 0.924 52 K HN 0.450 nan 8.250 nan 0.000 0.477 53 L N 0.685 121.916 121.223 0.012 0.000 2.556 53 L HA 0.483 4.824 4.340 0.001 0.000 0.257 53 L C -1.843 175.035 176.870 0.014 0.000 0.955 53 L CA -0.666 54.176 54.840 0.003 0.000 0.850 53 L CB 2.015 44.077 42.059 0.006 0.000 1.398 53 L HN -0.057 nan 8.230 nan 0.000 0.412 54 I N 4.257 124.828 120.570 0.002 0.000 2.534 54 I HA 0.480 4.651 4.170 0.001 0.000 0.286 54 I C -0.941 175.182 176.117 0.010 0.000 1.094 54 I CA -0.467 60.838 61.300 0.008 0.000 1.055 54 I CB 2.023 40.017 38.000 -0.010 0.000 1.225 54 I HN 0.565 nan 8.210 nan 0.000 0.435 55 R N 7.469 127.982 120.500 0.022 0.000 2.513 55 R HA 0.747 5.088 4.340 0.001 0.000 0.301 55 R C -1.811 174.509 176.300 0.033 0.000 0.968 55 R CA -0.490 55.626 56.100 0.026 0.000 0.872 55 R CB 1.618 31.935 30.300 0.028 0.000 1.177 55 R HN 0.617 nan 8.270 nan 0.000 0.444 56 I N 4.329 124.920 120.570 0.036 0.000 2.447 56 I HA 0.421 4.591 4.170 0.001 0.000 0.287 56 I C -0.441 175.709 176.117 0.055 0.000 1.023 56 I CA -0.788 60.536 61.300 0.039 0.000 1.083 56 I CB 2.028 40.045 38.000 0.029 0.000 1.245 56 I HN 0.500 nan 8.210 nan 0.000 0.434 57 R N 4.835 125.372 120.500 0.061 0.000 2.562 57 R HA 0.566 4.907 4.340 0.001 0.000 0.298 57 R C -1.659 174.686 176.300 0.074 0.000 0.961 57 R CA -0.453 55.701 56.100 0.090 0.000 0.881 57 R CB 1.881 32.230 30.300 0.083 0.000 1.159 57 R HN 0.785 nan 8.270 nan 0.000 0.450 58 D N 1.194 121.649 120.400 0.092 0.000 2.531 58 D HA 0.162 4.803 4.640 0.001 0.000 0.244 58 D C -0.499 175.853 176.300 0.086 0.000 1.090 58 D CA -0.846 53.197 54.000 0.072 0.000 0.989 58 D CB 1.102 41.935 40.800 0.056 0.000 1.433 58 D HN 0.523 nan 8.370 nan 0.000 0.492 59 N N -0.172 118.566 118.700 0.064 0.000 2.389 59 N HA 0.216 4.957 4.740 0.001 0.000 0.260 59 N C 0.430 175.973 175.510 0.056 0.000 1.191 59 N CA -0.563 52.525 53.050 0.063 0.000 0.885 59 N CB 0.394 38.908 38.487 0.044 0.000 1.162 59 N HN 0.517 nan 8.380 nan 0.000 0.512 60 G N 0.115 108.949 108.800 0.056 0.000 2.570 60 G HA2 0.074 4.035 3.960 0.001 0.000 0.276 60 G HA3 0.074 4.035 3.960 0.001 0.000 0.276 60 G C 1.216 176.143 174.900 0.045 0.000 1.346 60 G CA -0.084 45.043 45.100 0.045 0.000 1.034 60 G HN 0.531 nan 8.290 nan 0.000 0.512 61 C N -1.339 117.984 119.300 0.038 0.000 2.491 61 C HA 0.522 4.983 4.460 0.001 0.000 0.277 61 C C 1.577 176.588 174.990 0.035 0.000 1.455 61 C CA -0.182 58.858 59.018 0.036 0.000 1.758 61 C CB -1.843 25.915 27.740 0.031 0.000 1.745 61 C HN 1.992 nan 8.230 nan 0.000 0.558 62 G N 0.681 109.499 108.800 0.030 0.000 2.855 62 G HA2 -0.108 3.853 3.960 0.001 0.000 0.352 62 G HA3 -0.108 3.853 3.960 0.001 0.000 0.352 62 G C -0.874 174.034 174.900 0.013 0.000 1.415 62 G CA -0.100 45.011 45.100 0.018 0.000 0.871 62 G HN 0.772 nan 8.290 nan 0.000 0.543 63 I N 0.499 121.072 120.570 0.007 0.000 2.418 63 I HA 0.325 4.496 4.170 0.001 0.000 0.287 63 I C 0.684 176.810 176.117 0.015 0.000 1.008 63 I CA -0.821 60.483 61.300 0.006 0.000 1.104 63 I CB 1.890 39.888 38.000 -0.004 0.000 1.264 63 I HN 0.607 nan 8.210 nan 0.000 0.438 64 K N 5.508 125.912 120.400 0.006 0.000 2.485 64 K HA -0.035 4.286 4.320 0.001 0.000 0.277 64 K C 1.224 177.800 176.600 -0.041 0.000 0.990 64 K CA 0.230 56.515 56.287 -0.003 0.000 0.994 64 K CB 0.810 33.301 32.500 -0.015 0.000 0.906 64 K HN 0.583 nan 8.250 nan 0.000 0.488 65 K N 2.642 122.994 120.400 -0.081 0.000 2.059 65 K HA -0.229 4.092 4.320 0.001 0.000 0.212 65 K C 1.042 177.494 176.600 -0.247 0.000 1.050 65 K CA 2.370 58.501 56.287 -0.261 0.000 0.927 65 K CB -0.096 32.041 32.500 -0.603 0.000 0.714 65 K HN 0.779 nan 8.250 nan 0.000 0.447 66 D N -0.306 119.978 120.400 -0.193 0.000 2.371 66 D HA -0.119 4.522 4.640 0.001 0.000 0.234 66 D C 0.367 176.606 176.300 -0.102 0.000 1.049 66 D CA 0.744 54.652 54.000 -0.154 0.000 0.907 66 D CB 0.107 40.832 40.800 -0.124 0.000 0.891 66 D HN 0.463 nan 8.370 nan 0.000 0.531 67 E N -0.390 119.760 120.200 -0.083 0.000 2.601 67 E HA 0.179 4.530 4.350 0.001 0.000 0.219 67 E C 1.883 178.454 176.600 -0.048 0.000 0.964 67 E CA -0.230 56.138 56.400 -0.054 0.000 1.050 67 E CB 0.565 30.244 29.700 -0.034 0.000 1.068 67 E HN 0.188 nan 8.360 nan 0.000 0.496 68 L N 0.978 122.165 121.223 -0.061 0.000 2.012 68 L HA -0.184 4.157 4.340 0.001 0.000 0.210 68 L C 2.614 179.457 176.870 -0.044 0.000 1.073 68 L CA 1.621 56.435 54.840 -0.044 0.000 0.748 68 L CB -0.435 41.599 42.059 -0.043 0.000 0.891 68 L HN 0.162 nan 8.230 nan 0.000 0.431 69 A N -0.119 122.664 122.820 -0.061 0.000 1.933 69 A HA -0.152 4.169 4.320 0.001 0.000 0.218 69 A C 2.246 179.806 177.584 -0.040 0.000 1.175 69 A CA 1.342 53.346 52.037 -0.055 0.000 0.628 69 A CB -0.682 18.278 19.000 -0.067 0.000 0.814 69 A HN 0.367 nan 8.150 nan 0.000 0.444 70 L N -0.856 120.344 121.223 -0.039 0.000 2.131 70 L HA -0.180 4.160 4.340 0.001 0.000 0.210 70 L C 2.988 179.844 176.870 -0.023 0.000 1.092 70 L CA 0.911 55.735 54.840 -0.028 0.000 0.759 70 L CB -0.405 41.639 42.059 -0.024 0.000 0.903 70 L HN 0.444 nan 8.230 nan 0.000 0.435 71 A N -0.293 122.513 122.820 -0.023 0.000 2.015 71 A HA -0.067 4.254 4.320 0.001 0.000 0.219 71 A C 2.062 179.634 177.584 -0.019 0.000 1.163 71 A CA 1.071 53.097 52.037 -0.018 0.000 0.646 71 A CB -0.400 18.592 19.000 -0.014 0.000 0.806 71 A HN 0.416 nan 8.150 nan 0.000 0.448 72 L N -0.818 120.393 121.223 -0.020 0.000 2.592 72 L HA 0.236 4.577 4.340 0.001 0.000 0.227 72 L C 1.255 178.107 176.870 -0.030 0.000 1.127 72 L CA -0.078 54.752 54.840 -0.016 0.000 0.884 72 L CB -0.313 41.743 42.059 -0.004 0.000 1.065 72 L HN 0.370 nan 8.230 nan 0.000 0.457 73 A N 0.462 123.260 122.820 -0.037 0.000 2.287 73 A HA 0.429 4.750 4.320 0.001 0.000 0.273 73 A C 0.229 177.761 177.584 -0.088 0.000 1.091 73 A CA -0.350 51.657 52.037 -0.051 0.000 0.817 73 A CB 0.468 19.448 19.000 -0.034 0.000 1.069 73 A HN 0.194 nan 8.150 nan 0.000 0.492 74 R N -0.124 120.289 120.500 -0.144 0.000 2.531 74 R HA 0.279 4.620 4.340 0.001 0.000 0.273 74 R C -0.303 175.834 176.300 -0.270 0.000 1.070 74 R CA -0.353 55.550 56.100 -0.327 0.000 1.112 74 R CB 0.147 30.147 30.300 -0.500 0.000 1.049 74 R HN 0.938 nan 8.270 nan 0.000 0.508 75 H N -1.338 117.726 119.070 -0.011 0.000 2.741 75 H HA -0.215 4.342 4.556 0.001 0.000 0.305 75 H C -1.131 174.198 175.328 0.001 0.000 1.169 75 H CA 0.862 56.907 56.048 -0.005 0.000 1.144 75 H CB -1.628 28.134 29.762 -0.001 0.000 1.397 75 H HN 0.568 nan 8.280 nan 0.000 0.409 76 A N 0.514 123.369 122.820 0.058 0.000 2.353 76 A HA 0.651 4.972 4.320 0.001 0.000 0.299 76 A C 0.252 177.853 177.584 0.028 0.000 1.089 76 A CA 0.194 52.256 52.037 0.041 0.000 0.736 76 A CB 2.466 21.476 19.000 0.016 0.000 1.195 76 A HN 0.304 nan 8.150 nan 0.000 0.447 77 T N -0.027 114.550 114.554 0.039 0.000 2.864 77 T HA 0.559 4.910 4.350 0.001 0.000 0.299 77 T C 0.734 175.456 174.700 0.038 0.000 1.166 77 T CA 0.352 62.475 62.100 0.038 0.000 1.007 77 T CB 1.488 70.392 68.868 0.061 0.000 1.219 77 T HN 1.319 nan 8.240 nan 0.000 0.506 78 S N 1.008 116.729 115.700 0.036 0.000 2.559 78 S HA 0.298 4.768 4.470 0.001 0.000 0.226 78 S C 1.085 175.710 174.600 0.043 0.000 1.000 78 S CA -0.402 57.817 58.200 0.032 0.000 0.948 78 S CB -0.044 63.170 63.200 0.023 0.000 0.870 78 S HN 0.694 nan 8.310 nan 0.000 0.497 79 K N 1.271 121.708 120.400 0.062 0.000 2.323 79 K HA 0.382 4.703 4.320 0.001 0.000 0.197 79 K C 0.566 177.212 176.600 0.076 0.000 1.043 79 K CA 0.599 56.932 56.287 0.078 0.000 0.997 79 K CB 0.111 32.678 32.500 0.112 0.000 0.807 79 K HN 0.658 nan 8.250 nan 0.000 0.497 80 I N -4.783 115.833 120.570 0.077 0.000 2.827 80 I HA 0.536 4.707 4.170 0.001 0.000 0.298 80 I C -0.540 175.602 176.117 0.041 0.000 1.235 80 I CA -0.945 60.385 61.300 0.050 0.000 1.021 80 I CB 2.443 40.472 38.000 0.048 0.000 1.259 80 I HN -0.241 nan 8.210 nan 0.000 0.427 81 A N 2.939 125.772 122.820 0.022 0.000 2.551 81 A HA 0.658 4.979 4.320 0.001 0.000 0.252 81 A C 0.495 178.085 177.584 0.010 0.000 1.199 81 A CA 0.610 52.658 52.037 0.019 0.000 0.972 81 A CB -0.022 18.987 19.000 0.015 0.000 1.153 81 A HN 1.056 nan 8.150 nan 0.000 0.559 82 S N -2.236 113.465 115.700 0.002 0.000 2.672 82 S HA 0.487 4.958 4.470 0.001 0.000 0.271 82 S C 0.215 174.802 174.600 -0.021 0.000 1.171 82 S CA -0.145 58.051 58.200 -0.007 0.000 0.817 82 S CB 0.192 63.388 63.200 -0.006 0.000 1.150 82 S HN 0.368 nan 8.310 nan 0.000 0.478 83 L N 1.526 122.734 121.223 -0.025 0.000 2.093 83 L HA 0.114 4.455 4.340 0.001 0.000 0.208 83 L C 1.659 178.498 176.870 -0.052 0.000 1.085 83 L CA 2.168 56.983 54.840 -0.041 0.000 0.755 83 L CB -1.376 40.665 42.059 -0.029 0.000 0.904 83 L HN 0.850 nan 8.230 nan 0.000 0.435 84 D N -0.482 119.900 120.400 -0.031 0.000 2.104 84 D HA -0.206 4.435 4.640 0.001 0.000 0.194 84 D C 1.749 178.021 176.300 -0.048 0.000 0.994 84 D CA 1.581 55.568 54.000 -0.022 0.000 0.830 84 D CB -0.179 40.622 40.800 0.002 0.000 0.959 84 D HN 0.360 nan 8.370 nan 0.000 0.452 85 D N 0.320 120.694 120.400 -0.045 0.000 2.133 85 D HA -0.146 4.495 4.640 0.001 0.000 0.195 85 D C 2.105 178.335 176.300 -0.117 0.000 0.997 85 D CA 0.412 54.379 54.000 -0.055 0.000 0.840 85 D CB -0.258 40.525 40.800 -0.028 0.000 0.947 85 D HN 0.174 nan 8.370 nan 0.000 0.452 86 L N 1.373 122.503 121.223 -0.155 0.000 2.027 86 L HA -0.152 4.189 4.340 0.001 0.000 0.206 86 L C 1.880 178.568 176.870 -0.304 0.000 1.074 86 L CA 1.699 56.370 54.840 -0.283 0.000 0.745 86 L CB -0.530 41.369 42.059 -0.266 0.000 0.898 86 L HN 0.021 nan 8.230 nan 0.000 0.433 87 E N 0.005 120.061 120.200 -0.240 0.000 2.267 87 E HA -0.126 4.225 4.350 0.001 0.000 0.197 87 E C 0.897 177.210 176.600 -0.479 0.000 0.998 87 E CA 0.907 57.129 56.400 -0.297 0.000 0.830 87 E CB -0.051 29.528 29.700 -0.202 0.000 0.751 87 E HN 0.542 nan 8.360 nan 0.000 0.491 88 A N 1.046 123.651 122.820 -0.358 0.000 2.806 88 A HA 0.255 4.576 4.320 0.001 0.000 0.266 88 A C 0.066 177.561 177.584 -0.149 0.000 0.926 88 A CA -0.540 51.305 52.037 -0.320 0.000 1.068 88 A CB -0.087 18.817 19.000 -0.161 0.000 1.189 88 A HN 0.184 nan 8.150 nan 0.000 0.481 89 I N 0.048 120.516 120.570 -0.170 0.000 2.872 89 I HA 0.001 4.172 4.170 0.001 0.000 0.291 89 I C 0.911 177.008 176.117 -0.033 0.000 1.216 89 I CA 0.522 61.760 61.300 -0.103 0.000 1.424 89 I CB 0.692 38.601 38.000 -0.152 0.000 1.351 89 I HN 0.490 nan 8.210 nan 0.000 0.592 90 I N 4.785 125.358 120.570 0.006 0.000 3.616 90 I HA 0.003 4.174 4.170 0.001 0.000 0.296 90 I C 1.027 177.175 176.117 0.052 0.000 1.226 90 I CA 0.183 61.501 61.300 0.029 0.000 1.394 90 I CB -0.170 37.847 38.000 0.029 0.000 1.171 90 I HN 0.667 nan 8.210 nan 0.000 0.442 91 S N 0.441 116.183 115.700 0.070 0.000 2.738 91 S HA 0.446 4.916 4.470 0.001 0.000 0.284 91 S C 0.802 175.479 174.600 0.128 0.000 1.146 91 S CA -0.683 57.572 58.200 0.090 0.000 0.997 91 S CB 1.487 64.742 63.200 0.091 0.000 1.081 91 S HN 0.104 nan 8.310 nan 0.000 0.553 92 L N 0.442 121.733 121.223 0.112 0.000 2.127 92 L HA 0.248 4.589 4.340 0.001 0.000 0.203 92 L C 1.700 178.647 176.870 0.128 0.000 1.080 92 L CA 0.802 55.712 54.840 0.116 0.000 0.768 92 L CB -0.962 41.136 42.059 0.065 0.000 0.924 92 L HN 0.862 nan 8.230 nan 0.000 0.444 93 G N -1.483 107.364 108.800 0.079 0.000 2.522 93 G HA2 0.385 4.346 3.960 0.001 0.000 0.304 93 G HA3 0.385 4.346 3.960 0.001 0.000 0.304 93 G C -0.198 174.775 174.900 0.121 0.000 1.210 93 G CA 0.096 45.175 45.100 -0.035 0.000 0.960 93 G HN 0.361 nan 8.290 nan 0.000 0.497 94 F N -3.754 116.202 119.950 0.011 0.000 3.219 94 F HA 0.190 4.718 4.527 0.001 0.000 0.420 94 F C 1.475 177.284 175.800 0.015 0.000 1.019 94 F CA -0.419 57.587 58.000 0.009 0.000 0.669 94 F CB -0.103 38.898 39.000 0.002 0.000 1.781 94 F HN 0.361 nan 8.300 nan 0.000 0.463 95 R N 1.795 122.065 120.500 -0.382 0.000 2.200 95 R HA 0.305 4.646 4.340 0.001 0.000 0.208 95 R C 1.725 178.010 176.300 -0.026 0.000 1.033 95 R CA 0.844 56.853 56.100 -0.151 0.000 1.000 95 R CB -0.476 29.652 30.300 -0.286 0.000 0.906 95 R HN 0.607 nan 8.270 nan 0.000 0.462 96 G N 1.431 110.196 108.800 -0.059 0.000 2.225 96 G HA2 -0.271 3.690 3.960 0.001 0.000 0.267 96 G HA3 -0.271 3.690 3.960 0.001 0.000 0.267 96 G C 0.566 175.434 174.900 -0.052 0.000 1.024 96 G CA 0.677 45.762 45.100 -0.025 0.000 0.784 96 G HN 0.325 nan 8.290 nan 0.000 0.507 97 E N -1.005 119.149 120.200 -0.077 0.000 2.399 97 E HA 0.285 4.636 4.350 0.001 0.000 0.205 97 E C 2.703 179.257 176.600 -0.077 0.000 0.906 97 E CA 0.763 57.105 56.400 -0.095 0.000 0.998 97 E CB -0.402 29.249 29.700 -0.081 0.000 1.002 97 E HN 0.625 nan 8.360 nan 0.000 0.501 98 A N 2.144 124.922 122.820 -0.070 0.000 1.869 98 A HA -0.207 4.113 4.320 0.001 0.000 0.218 98 A C 2.309 179.874 177.584 -0.031 0.000 1.203 98 A CA 1.511 53.520 52.037 -0.047 0.000 0.638 98 A CB -0.977 17.994 19.000 -0.049 0.000 0.831 98 A HN 0.186 nan 8.150 nan 0.000 0.450 99 L N -1.099 120.106 121.223 -0.030 0.000 2.046 99 L HA -0.214 4.127 4.340 0.001 0.000 0.208 99 L C 3.156 180.017 176.870 -0.015 0.000 1.077 99 L CA 1.118 55.948 54.840 -0.017 0.000 0.747 99 L CB -0.761 41.291 42.059 -0.013 0.000 0.896 99 L HN 0.497 nan 8.230 nan 0.000 0.432 100 A N -0.342 122.458 122.820 -0.034 0.000 1.883 100 A HA -0.230 4.091 4.320 0.001 0.000 0.217 100 A C 2.530 180.100 177.584 -0.023 0.000 1.186 100 A CA 2.298 54.312 52.037 -0.038 0.000 0.624 100 A CB -0.712 18.238 19.000 -0.083 0.000 0.822 100 A HN 0.385 nan 8.150 nan 0.000 0.444 101 S N -0.215 115.469 115.700 -0.028 0.000 2.353 101 S HA -0.140 4.331 4.470 0.001 0.000 0.222 101 S C 1.842 176.454 174.600 0.021 0.000 1.035 101 S CA 1.595 59.792 58.200 -0.005 0.000 1.025 101 S CB -0.541 62.655 63.200 -0.006 0.000 0.902 101 S HN 0.532 nan 8.310 nan 0.000 0.440 102 I N 2.019 122.597 120.570 0.015 0.000 2.208 102 I HA -0.208 3.963 4.170 0.001 0.000 0.245 102 I C 2.694 178.832 176.117 0.035 0.000 1.097 102 I CA 1.435 62.746 61.300 0.018 0.000 1.363 102 I CB -0.610 37.390 38.000 -0.000 0.000 1.051 102 I HN 0.379 nan 8.210 nan 0.000 0.413 103 S N 0.481 116.202 115.700 0.036 0.000 2.400 103 S HA -0.190 4.281 4.470 0.001 0.000 0.232 103 S C 2.056 176.706 174.600 0.083 0.000 1.025 103 S CA 1.338 59.574 58.200 0.060 0.000 0.993 103 S CB -0.790 62.443 63.200 0.055 0.000 0.808 103 S HN 0.577 nan 8.310 nan 0.000 0.478 104 S N 1.263 117.001 115.700 0.063 0.000 2.481 104 S HA 0.053 4.524 4.470 0.001 0.000 0.231 104 S C 1.242 175.886 174.600 0.074 0.000 0.996 104 S CA 0.418 58.655 58.200 0.061 0.000 0.942 104 S CB -0.493 62.726 63.200 0.033 0.000 0.768 104 S HN 1.099 nan 8.310 nan 0.000 0.520 105 V N -0.728 119.250 119.914 0.106 0.000 2.909 105 V HA 0.666 4.786 4.120 0.001 0.000 0.362 105 V C -0.144 176.069 176.094 0.200 0.000 1.356 105 V CA -0.029 62.358 62.300 0.145 0.000 1.195 105 V CB -0.928 31.035 31.823 0.234 0.000 1.256 105 V HN 0.635 nan 8.190 nan 0.000 0.567 106 S N -0.615 115.248 115.700 0.271 0.000 2.669 106 S HA 0.612 5.083 4.470 0.001 0.000 0.266 106 S C -1.219 173.501 174.600 0.201 0.000 1.149 106 S CA -1.051 57.311 58.200 0.271 0.000 0.842 106 S CB 1.664 64.899 63.200 0.059 0.000 1.160 106 S HN 0.211 nan 8.310 nan 0.000 0.487 107 R N 1.193 121.680 120.500 -0.023 0.000 2.280 107 R HA 0.464 4.804 4.340 0.001 0.000 0.326 107 R C -1.030 175.236 176.300 -0.058 0.000 1.080 107 R CA -0.374 55.661 56.100 -0.108 0.000 1.002 107 R CB 0.141 30.281 30.300 -0.268 0.000 1.136 107 R HN 0.728 nan 8.270 nan 0.000 0.509 108 L N 1.965 123.189 121.223 0.002 0.000 2.282 108 L HA 0.450 4.791 4.340 0.001 0.000 0.288 108 L C -0.660 176.244 176.870 0.056 0.000 1.033 108 L CA -0.149 54.704 54.840 0.021 0.000 0.807 108 L CB 1.632 43.715 42.059 0.039 0.000 1.209 108 L HN 0.347 nan 8.230 nan 0.000 0.423 109 T N 6.000 120.582 114.554 0.046 0.000 2.792 109 T HA 0.447 4.798 4.350 0.001 0.000 0.280 109 T C -0.863 173.889 174.700 0.086 0.000 0.990 109 T CA -0.307 61.854 62.100 0.102 0.000 0.960 109 T CB 1.443 70.346 68.868 0.058 0.000 0.939 109 T HN 0.430 nan 8.240 nan 0.000 0.439 110 L N 4.107 125.392 121.223 0.103 0.000 2.298 110 L HA 0.647 4.988 4.340 0.001 0.000 0.284 110 L C -0.482 176.411 176.870 0.038 0.000 1.013 110 L CA 0.119 54.989 54.840 0.050 0.000 0.824 110 L CB 1.100 43.181 42.059 0.038 0.000 1.221 110 L HN 0.573 nan 8.230 nan 0.000 0.418 111 T N 3.422 117.966 114.554 -0.017 0.000 2.807 111 T HA 0.743 5.094 4.350 0.001 0.000 0.279 111 T C -0.748 173.780 174.700 -0.287 0.000 0.993 111 T CA -0.571 61.484 62.100 -0.076 0.000 0.970 111 T CB 1.441 70.299 68.868 -0.018 0.000 0.950 111 T HN 0.647 nan 8.240 nan 0.000 0.441 112 S N 1.818 117.382 115.700 -0.227 0.000 2.567 112 S HA 0.741 5.212 4.470 0.001 0.000 0.270 112 S C -1.835 172.726 174.600 -0.065 0.000 1.152 112 S CA -0.912 57.130 58.200 -0.263 0.000 0.835 112 S CB 1.606 64.737 63.200 -0.115 0.000 1.115 112 S HN 0.772 nan 8.310 nan 0.000 0.459 113 R N 1.492 121.981 120.500 -0.018 0.000 2.548 113 R HA 0.556 4.897 4.340 0.001 0.000 0.280 113 R C -0.749 175.596 176.300 0.075 0.000 1.061 113 R CA -0.397 55.751 56.100 0.080 0.000 0.915 113 R CB 1.671 32.034 30.300 0.106 0.000 1.210 113 R HN 0.829 nan 8.270 nan 0.000 0.442 114 T N 0.494 115.096 114.554 0.079 0.000 2.912 114 T HA 0.445 4.796 4.350 0.001 0.000 0.280 114 T C 1.335 176.071 174.700 0.061 0.000 0.989 114 T CA -0.174 61.962 62.100 0.061 0.000 0.995 114 T CB 1.705 70.604 68.868 0.051 0.000 1.077 114 T HN 0.627 nan 8.240 nan 0.000 0.531 115 A N 0.447 123.297 122.820 0.050 0.000 1.978 115 A HA -0.045 4.276 4.320 0.001 0.000 0.220 115 A C 1.971 179.581 177.584 0.043 0.000 1.170 115 A CA 1.472 53.536 52.037 0.044 0.000 0.636 115 A CB -0.953 18.068 19.000 0.036 0.000 0.810 115 A HN 0.876 nan 8.150 nan 0.000 0.448 116 E N 0.232 120.458 120.200 0.044 0.000 2.427 116 E HA 0.013 4.364 4.350 0.001 0.000 0.196 116 E C 0.462 177.095 176.600 0.056 0.000 1.028 116 E CA 0.344 56.769 56.400 0.042 0.000 0.864 116 E CB -0.010 29.711 29.700 0.036 0.000 0.813 116 E HN 0.731 nan 8.360 nan 0.000 0.514 117 Q N 0.293 120.136 119.800 0.072 0.000 2.241 117 Q HA 0.265 4.606 4.340 0.001 0.000 0.254 117 Q C 0.516 176.564 176.000 0.081 0.000 0.917 117 Q CA -0.208 55.655 55.803 0.100 0.000 0.919 117 Q CB 1.380 30.210 28.738 0.153 0.000 1.237 117 Q HN 0.136 nan 8.270 nan 0.000 0.434 118 Q N 0.621 120.466 119.800 0.075 0.000 2.212 118 Q HA -0.017 4.324 4.340 0.001 0.000 0.199 118 Q C -0.202 175.809 176.000 0.018 0.000 0.950 118 Q CA 0.714 56.542 55.803 0.042 0.000 0.863 118 Q CB 0.641 29.400 28.738 0.035 0.000 0.944 118 Q HN 0.502 nan 8.270 nan 0.000 0.465 119 E N 0.298 120.520 120.200 0.037 0.000 2.242 119 E HA 0.499 4.850 4.350 0.001 0.000 0.275 119 E C -0.952 175.565 176.600 -0.138 0.000 1.002 119 E CA -0.313 56.025 56.400 -0.103 0.000 0.841 119 E CB 1.595 31.209 29.700 -0.144 0.000 1.109 119 E HN 0.124 nan 8.360 nan 0.000 0.394 120 A N 2.146 124.777 122.820 -0.315 0.000 2.294 120 A HA 0.718 5.039 4.320 0.001 0.000 0.330 120 A C -1.309 175.954 177.584 -0.534 0.000 1.133 120 A CA -0.557 51.363 52.037 -0.195 0.000 0.836 120 A CB 0.634 19.604 19.000 -0.051 0.000 1.190 120 A HN 0.568 nan 8.150 nan 0.000 0.492 121 W N -0.793 120.505 121.300 -0.004 0.000 3.031 121 W HA 0.624 5.285 4.660 0.001 0.000 0.337 121 W C -0.155 176.352 176.519 -0.019 0.000 1.187 121 W CA -0.282 57.057 57.345 -0.011 0.000 1.166 121 W CB 1.748 31.194 29.460 -0.023 0.000 1.437 121 W HN 0.791 nan 8.180 nan 0.000 0.551 122 Q N 1.571 121.513 119.800 0.236 0.000 2.375 122 Q HA 0.845 5.186 4.340 0.001 0.000 0.271 122 Q C -1.371 174.704 176.000 0.125 0.000 1.074 122 Q CA -0.677 55.218 55.803 0.154 0.000 0.808 122 Q CB 2.277 31.104 28.738 0.148 0.000 1.327 122 Q HN 0.630 nan 8.270 nan 0.000 0.441 123 A N 2.792 125.666 122.820 0.091 0.000 2.556 123 A HA 0.844 5.165 4.320 0.001 0.000 0.294 123 A C -2.038 175.589 177.584 0.073 0.000 1.091 123 A CA -0.551 51.467 52.037 -0.033 0.000 0.704 123 A CB 1.318 20.295 19.000 -0.038 0.000 1.300 123 A HN 0.834 nan 8.150 nan 0.000 0.406 124 Y N -2.222 118.092 120.300 0.024 0.000 2.573 124 Y HA 0.754 5.305 4.550 0.002 0.000 0.328 124 Y C -0.398 175.513 175.900 0.019 0.000 1.170 124 Y CA -0.804 57.307 58.100 0.018 0.000 1.078 124 Y CB 0.589 39.059 38.460 0.018 0.000 1.341 124 Y HN 1.257 nan 8.280 nan 0.000 0.459 125 A N 1.745 124.687 122.820 0.204 0.000 2.294 125 A HA 0.892 5.213 4.320 0.001 0.000 0.330 125 A C -0.771 176.928 177.584 0.192 0.000 1.133 125 A CA -0.614 51.501 52.037 0.129 0.000 0.836 125 A CB 1.193 20.236 19.000 0.072 0.000 1.190 125 A HN 0.822 nan 8.150 nan 0.000 0.492 126 E N -0.693 119.590 120.200 0.138 0.000 2.412 126 E HA 0.548 4.899 4.350 0.001 0.000 0.279 126 E C -0.249 176.403 176.600 0.087 0.000 0.984 126 E CA -0.290 56.191 56.400 0.135 0.000 0.788 126 E CB 2.128 31.927 29.700 0.166 0.000 1.277 126 E HN 1.837 nan 8.360 nan 0.000 0.455 127 G N 0.815 109.663 108.800 0.081 0.000 2.819 127 G HA2 -0.293 3.668 3.960 0.001 0.000 0.682 127 G HA3 -0.293 3.668 3.960 0.001 0.000 0.682 127 G C 0.272 175.196 174.900 0.041 0.000 1.481 127 G CA 0.020 45.154 45.100 0.056 0.000 0.904 127 G HN 0.630 nan 8.290 nan 0.000 0.563 128 R N 0.064 120.582 120.500 0.029 0.000 2.211 128 R HA -0.119 4.222 4.340 0.001 0.000 0.240 128 R C 1.412 177.722 176.300 0.017 0.000 1.144 128 R CA 2.057 58.168 56.100 0.019 0.000 0.992 128 R CB -0.120 30.188 30.300 0.015 0.000 0.869 128 R HN 0.618 nan 8.270 nan 0.000 0.462 129 D N -0.854 119.558 120.400 0.019 0.000 2.349 129 D HA 0.102 4.743 4.640 0.001 0.000 0.214 129 D C 0.062 176.370 176.300 0.013 0.000 1.063 129 D CA 0.070 54.078 54.000 0.013 0.000 0.847 129 D CB 0.407 41.213 40.800 0.011 0.000 0.933 129 D HN -0.068 nan 8.370 nan 0.000 0.513 130 M N 0.775 120.388 119.600 0.023 0.000 2.427 130 M HA -0.186 4.295 4.480 0.001 0.000 0.204 130 M C -0.894 175.417 176.300 0.018 0.000 0.413 130 M CA 0.431 55.747 55.300 0.027 0.000 0.507 130 M CB -2.229 30.380 32.600 0.014 0.000 1.823 130 M HN 0.112 nan 8.290 nan 0.000 0.859 131 N N 0.665 119.377 118.700 0.020 0.000 2.492 131 N HA 0.354 5.095 4.740 0.001 0.000 0.262 131 N C 0.081 175.584 175.510 -0.011 0.000 1.202 131 N CA -0.026 53.025 53.050 0.002 0.000 0.926 131 N CB 1.135 39.625 38.487 0.005 0.000 1.078 131 N HN 0.181 nan 8.380 nan 0.000 0.454 132 V N 1.961 121.848 119.914 -0.046 0.000 2.427 132 V HA 0.269 4.390 4.120 0.001 0.000 0.286 132 V C 0.516 176.509 176.094 -0.168 0.000 1.034 132 V CA -0.467 61.774 62.300 -0.098 0.000 0.893 132 V CB 1.625 33.396 31.823 -0.086 0.000 0.982 132 V HN 0.566 nan 8.190 nan 0.000 0.452 133 T N 4.403 118.754 114.554 -0.338 0.000 2.794 133 T HA 0.575 4.926 4.350 0.001 0.000 0.280 133 T C -0.405 174.061 174.700 -0.389 0.000 0.987 133 T CA -0.307 61.560 62.100 -0.389 0.000 0.993 133 T CB 1.482 70.007 68.868 -0.572 0.000 0.939 133 T HN 0.366 nan 8.240 nan 0.000 0.449 134 V N 5.178 124.979 119.914 -0.187 0.000 2.448 134 V HA 0.646 4.767 4.120 0.001 0.000 0.295 134 V C -0.105 176.041 176.094 0.087 0.000 1.025 134 V CA -0.788 61.472 62.300 -0.068 0.000 0.859 134 V CB 1.467 33.225 31.823 -0.108 0.000 0.988 134 V HN 0.917 nan 8.190 nan 0.000 0.431 135 K N 4.431 124.969 120.400 0.230 0.000 2.509 135 K HA 0.751 5.072 4.320 0.001 0.000 0.266 135 K C -3.278 173.506 176.600 0.308 0.000 0.987 135 K CA -2.235 54.232 56.287 0.299 0.000 0.868 135 K CB 2.306 34.893 32.500 0.145 0.000 1.421 135 K HN 0.247 nan 8.250 nan 0.000 0.444 136 P HA 0.112 nan 4.420 nan 0.000 0.268 136 P C -1.182 175.980 177.300 -0.230 0.000 1.208 136 P CA 0.040 62.872 63.100 -0.446 0.000 0.777 136 P CB 0.847 32.324 31.700 -0.372 0.000 0.875 137 A N 0.964 123.597 122.820 -0.313 0.000 2.536 137 A HA 0.791 5.112 4.320 0.001 0.000 0.293 137 A C -1.760 175.742 177.584 -0.137 0.000 1.119 137 A CA -0.349 51.607 52.037 -0.135 0.000 0.654 137 A CB 0.922 19.900 19.000 -0.036 0.000 1.291 137 A HN 0.464 nan 8.150 nan 0.000 0.439 138 A N 0.610 123.406 122.820 -0.040 0.000 2.343 138 A HA 0.850 5.171 4.320 0.001 0.000 0.316 138 A C -0.794 176.838 177.584 0.080 0.000 1.104 138 A CA -0.301 51.724 52.037 -0.021 0.000 0.768 138 A CB 0.942 19.921 19.000 -0.035 0.000 1.213 138 A HN 1.452 nan 8.150 nan 0.000 0.456 139 H N 2.189 121.231 119.070 -0.047 0.000 3.093 139 H HA 0.291 4.848 4.556 0.001 0.000 0.312 139 H C -3.204 172.117 175.328 -0.012 0.000 1.213 139 H CA -0.525 55.510 56.048 -0.021 0.000 1.366 139 H CB 2.339 32.097 29.762 -0.007 0.000 1.998 139 H HN 0.607 nan 8.280 nan 0.000 0.522 140 P HA 0.105 nan 4.420 nan 0.000 0.279 140 P C -0.276 177.145 177.300 0.201 0.000 1.282 140 P CA -0.541 62.586 63.100 0.045 0.000 0.788 140 P CB 1.207 32.873 31.700 -0.057 0.000 1.139 141 V N 0.311 120.295 119.914 0.117 0.000 2.509 141 V HA 0.391 4.511 4.120 0.001 0.000 0.297 141 V C 1.225 177.405 176.094 0.143 0.000 1.014 141 V CA 1.934 64.303 62.300 0.115 0.000 1.127 141 V CB -0.736 31.129 31.823 0.070 0.000 0.925 141 V HN 1.164 nan 8.190 nan 0.000 0.480 142 G N 4.632 113.516 108.800 0.140 0.000 2.302 142 G HA2 0.275 4.236 3.960 0.001 0.000 0.276 142 G HA3 0.275 4.236 3.960 0.001 0.000 0.276 142 G C -0.710 174.223 174.900 0.056 0.000 1.316 142 G CA -0.171 45.008 45.100 0.132 0.000 0.988 142 G HN 0.736 nan 8.290 nan 0.000 0.479 143 T N -0.148 114.446 114.554 0.066 0.000 2.900 143 T HA 0.751 5.102 4.350 0.001 0.000 0.303 143 T C -1.008 173.709 174.700 0.030 0.000 1.142 143 T CA -0.272 61.769 62.100 -0.097 0.000 1.007 143 T CB 2.094 70.934 68.868 -0.048 0.000 1.156 143 T HN 0.795 nan 8.240 nan 0.000 0.490 144 T N 2.961 117.497 114.554 -0.029 0.000 2.879 144 T HA 0.539 4.890 4.350 0.001 0.000 0.290 144 T C -1.141 173.581 174.700 0.037 0.000 0.993 144 T CA -0.658 61.503 62.100 0.101 0.000 0.975 144 T CB 0.818 69.838 68.868 0.254 0.000 0.981 144 T HN 0.207 nan 8.240 nan 0.000 0.439 145 L N 2.916 124.162 121.223 0.038 0.000 2.317 145 L HA 0.579 4.920 4.340 0.001 0.000 0.281 145 L C 0.266 177.153 176.870 0.028 0.000 1.024 145 L CA -0.423 54.433 54.840 0.026 0.000 0.810 145 L CB 1.634 43.703 42.059 0.017 0.000 1.240 145 L HN 0.740 nan 8.230 nan 0.000 0.427 146 E N 2.594 122.807 120.200 0.023 0.000 2.216 146 E HA 0.448 4.798 4.350 0.001 0.000 0.260 146 E C -1.665 174.932 176.600 -0.005 0.000 0.880 146 E CA -0.432 55.974 56.400 0.011 0.000 0.765 146 E CB 2.007 31.714 29.700 0.011 0.000 1.174 146 E HN 0.310 nan 8.360 nan 0.000 0.417 147 V N 6.060 125.965 119.914 -0.014 0.000 2.326 147 V HA 0.344 4.465 4.120 0.001 0.000 0.281 147 V C -0.603 175.465 176.094 -0.043 0.000 1.015 147 V CA -0.670 61.612 62.300 -0.029 0.000 0.823 147 V CB 0.843 32.646 31.823 -0.033 0.000 1.009 147 V HN 0.577 nan 8.190 nan 0.000 0.436 148 L N 3.395 124.581 121.223 -0.062 0.000 2.330 148 L HA 0.653 4.994 4.340 0.001 0.000 0.271 148 L C 0.364 177.180 176.870 -0.091 0.000 1.013 148 L CA -0.277 54.516 54.840 -0.078 0.000 0.816 148 L CB 1.142 43.139 42.059 -0.104 0.000 1.287 148 L HN 0.609 nan 8.230 nan 0.000 0.435 149 D N 1.446 121.806 120.400 -0.068 0.000 2.740 149 D HA -0.211 4.429 4.640 0.001 0.000 0.231 149 D C -0.110 176.234 176.300 0.073 0.000 1.194 149 D CA 0.520 54.507 54.000 -0.022 0.000 0.673 149 D CB -0.472 40.255 40.800 -0.121 0.000 0.995 149 D HN 0.332 nan 8.370 nan 0.000 0.411 150 L N 0.443 121.656 121.223 -0.017 0.000 2.513 150 L HA -0.073 4.268 4.340 0.001 0.000 0.272 150 L C 0.799 177.658 176.870 -0.017 0.000 1.187 150 L CA 0.498 55.244 54.840 -0.158 0.000 0.895 150 L CB -0.407 41.411 42.059 -0.401 0.000 1.147 150 L HN 0.346 nan 8.230 nan 0.000 0.483 151 F N 4.385 124.417 119.950 0.137 0.000 2.840 151 F HA -0.306 4.221 4.527 0.001 0.000 0.310 151 F C 1.160 177.000 175.800 0.067 0.000 0.688 151 F CA 1.092 59.135 58.000 0.072 0.000 1.286 151 F CB -2.779 36.259 39.000 0.064 0.000 1.612 151 F HN 0.729 nan 8.300 nan 0.000 0.335 152 Y N 1.671 122.072 120.300 0.169 0.000 2.274 152 Y HA -0.076 4.475 4.550 0.001 0.000 0.290 152 Y C 1.604 177.558 175.900 0.090 0.000 1.145 152 Y CA 1.939 60.101 58.100 0.104 0.000 1.203 152 Y CB -0.681 37.813 38.460 0.057 0.000 0.984 152 Y HN 0.255 nan 8.280 nan 0.000 0.533 153 N N 0.436 118.645 118.700 -0.819 0.000 2.238 153 N HA 0.072 4.813 4.740 0.001 0.000 0.222 153 N C -0.583 174.775 175.510 -0.254 0.000 1.133 153 N CA 0.481 53.135 53.050 -0.660 0.000 0.854 153 N CB -0.334 37.587 38.487 -0.944 0.000 1.041 153 N HN 0.412 nan 8.380 nan 0.000 0.510 154 T N -2.506 111.978 114.554 -0.116 0.000 3.296 154 T HA 0.320 4.670 4.350 0.001 0.000 0.333 154 T C -2.132 172.537 174.700 -0.052 0.000 1.280 154 T CA -1.187 60.870 62.100 -0.072 0.000 1.558 154 T CB 2.165 70.995 68.868 -0.065 0.000 0.929 154 T HN -0.200 nan 8.240 nan 0.000 0.596 155 P HA -0.150 nan 4.420 nan 0.000 0.215 155 P C 1.743 179.045 177.300 0.003 0.000 1.153 155 P CA 1.406 64.507 63.100 0.002 0.000 0.853 155 P CB -0.022 31.678 31.700 0.001 0.000 0.788 156 A N 0.471 123.286 122.820 -0.009 0.000 1.978 156 A HA -0.189 4.132 4.320 0.001 0.000 0.220 156 A C 2.393 180.038 177.584 0.101 0.000 1.170 156 A CA 1.499 53.562 52.037 0.044 0.000 0.636 156 A CB -1.016 17.993 19.000 0.014 0.000 0.810 156 A HN 0.160 nan 8.150 nan 0.000 0.448 157 R N -1.538 118.900 120.500 -0.102 0.000 2.100 157 R HA 0.062 4.403 4.340 0.001 0.000 0.220 157 R C 2.407 178.612 176.300 -0.158 0.000 1.091 157 R CA 0.887 56.808 56.100 -0.298 0.000 0.986 157 R CB -0.227 29.513 30.300 -0.932 0.000 0.888 157 R HN 0.512 nan 8.270 nan 0.000 0.444 158 R N 1.333 121.799 120.500 -0.057 0.000 2.159 158 R HA -0.102 4.238 4.340 0.001 0.000 0.237 158 R C 1.411 177.790 176.300 0.131 0.000 1.131 158 R CA 1.248 57.439 56.100 0.151 0.000 0.982 158 R CB 0.163 30.569 30.300 0.177 0.000 0.868 158 R HN -0.051 nan 8.270 nan 0.000 0.453 159 K N -0.327 120.120 120.400 0.079 0.000 2.283 159 K HA -0.130 4.191 4.320 0.001 0.000 0.202 159 K C 1.487 178.003 176.600 -0.139 0.000 1.048 159 K CA 1.096 57.355 56.287 -0.048 0.000 0.948 159 K CB -0.168 32.243 32.500 -0.149 0.000 0.742 159 K HN 0.251 nan 8.250 nan 0.000 0.458 160 F N 0.945 120.877 119.950 -0.030 0.000 2.780 160 F HA 0.115 4.643 4.527 0.001 0.000 0.299 160 F C 0.910 176.722 175.800 0.021 0.000 1.146 160 F CA -0.179 57.809 58.000 -0.020 0.000 1.428 160 F CB -0.239 38.725 39.000 -0.060 0.000 1.115 160 F HN -0.184 nan 8.300 nan 0.000 0.583 161 L N 1.737 123.081 121.223 0.202 0.000 2.462 161 L HA 0.068 4.409 4.340 0.001 0.000 0.272 161 L C 0.860 177.794 176.870 0.106 0.000 1.166 161 L CA -0.291 54.654 54.840 0.176 0.000 0.880 161 L CB 0.204 42.382 42.059 0.199 0.000 1.142 161 L HN -0.015 nan 8.230 nan 0.000 0.473 162 R N 1.370 121.925 120.500 0.093 0.000 2.611 162 R HA 0.281 4.621 4.340 0.001 0.000 0.243 162 R C 0.310 176.661 176.300 0.086 0.000 1.260 162 R CA -0.476 55.671 56.100 0.078 0.000 1.095 162 R CB -0.175 30.174 30.300 0.082 0.000 1.259 162 R HN 0.680 nan 8.270 nan 0.000 0.575 163 T N -1.876 112.730 114.554 0.087 0.000 2.900 163 T HA -0.022 4.329 4.350 0.001 0.000 0.307 163 T C 1.272 176.045 174.700 0.123 0.000 1.065 163 T CA -0.347 61.807 62.100 0.091 0.000 1.105 163 T CB 0.721 69.638 68.868 0.081 0.000 0.979 163 T HN 0.587 nan 8.240 nan 0.000 0.544 164 E N 1.220 121.495 120.200 0.125 0.000 2.114 164 E HA -0.301 4.050 4.350 0.001 0.000 0.199 164 E C 2.023 178.767 176.600 0.241 0.000 1.008 164 E CA 1.670 58.175 56.400 0.176 0.000 0.810 164 E CB -0.124 29.666 29.700 0.150 0.000 0.739 164 E HN 0.809 nan 8.360 nan 0.000 0.456 165 K N -0.435 120.082 120.400 0.195 0.000 2.032 165 K HA -0.143 4.178 4.320 0.001 0.000 0.209 165 K C 2.135 178.872 176.600 0.228 0.000 1.048 165 K CA 2.050 58.466 56.287 0.214 0.000 0.927 165 K CB -0.146 32.434 32.500 0.134 0.000 0.712 165 K HN 0.112 nan 8.250 nan 0.000 0.441 166 T N 1.419 116.086 114.554 0.188 0.000 2.708 166 T HA -0.095 4.256 4.350 0.001 0.000 0.266 166 T C 1.544 176.430 174.700 0.309 0.000 1.037 166 T CA 1.249 63.477 62.100 0.214 0.000 1.146 166 T CB -0.150 68.833 68.868 0.191 0.000 0.865 166 T HN 0.279 nan 8.240 nan 0.000 0.435 167 E N 0.672 121.011 120.200 0.232 0.000 2.106 167 E HA -0.031 4.320 4.350 0.001 0.000 0.192 167 E C 1.860 178.558 176.600 0.163 0.000 0.984 167 E CA 0.700 57.210 56.400 0.183 0.000 0.806 167 E CB -0.494 29.276 29.700 0.117 0.000 0.750 167 E HN 0.517 nan 8.360 nan 0.000 0.458 168 F N 2.532 122.504 119.950 0.035 0.000 2.186 168 F HA -0.151 4.377 4.527 0.001 0.000 0.299 168 F C 1.716 177.511 175.800 -0.008 0.000 1.090 168 F CA 1.240 59.188 58.000 -0.088 0.000 1.307 168 F CB -0.215 38.662 39.000 -0.205 0.000 1.019 168 F HN -0.048 nan 8.300 nan 0.000 0.489 169 N N -0.213 118.497 118.700 0.017 0.000 2.104 169 N HA -0.197 4.544 4.740 0.001 0.000 0.190 169 N C 1.581 176.975 175.510 -0.193 0.000 1.024 169 N CA 1.848 54.840 53.050 -0.096 0.000 0.853 169 N CB -0.636 37.844 38.487 -0.012 0.000 1.008 169 N HN 0.402 nan 8.380 nan 0.000 0.424 170 H N -0.132 118.872 119.070 -0.110 0.000 2.387 170 H HA 0.097 4.654 4.556 0.001 0.000 0.299 170 H C 1.903 177.141 175.328 -0.151 0.000 1.090 170 H CA 0.972 56.965 56.048 -0.091 0.000 1.332 170 H CB -0.091 29.646 29.762 -0.042 0.000 1.386 170 H HN 0.206 nan 8.280 nan 0.000 0.516 171 I N -0.006 120.481 120.570 -0.138 0.000 2.226 171 I HA -0.242 3.929 4.170 0.001 0.000 0.245 171 I C 2.152 178.069 176.117 -0.333 0.000 1.100 171 I CA 1.599 62.751 61.300 -0.247 0.000 1.374 171 I CB -0.155 37.623 38.000 -0.370 0.000 1.057 171 I HN 0.262 nan 8.210 nan 0.000 0.413 172 D N 0.877 120.954 120.400 -0.538 0.000 2.123 172 D HA -0.270 4.370 4.640 0.001 0.000 0.196 172 D C 2.022 178.225 176.300 -0.161 0.000 0.992 172 D CA 1.388 55.156 54.000 -0.387 0.000 0.833 172 D CB 0.062 40.624 40.800 -0.396 0.000 0.954 172 D HN 0.193 nan 8.370 nan 0.000 0.455 173 E N -0.112 120.005 120.200 -0.138 0.000 2.077 173 E HA -0.136 4.215 4.350 0.001 0.000 0.193 173 E C 2.067 178.647 176.600 -0.033 0.000 0.989 173 E CA 0.853 57.217 56.400 -0.060 0.000 0.800 173 E CB -0.343 29.317 29.700 -0.065 0.000 0.746 173 E HN 0.286 nan 8.360 nan 0.000 0.452 174 I N 0.886 121.438 120.570 -0.030 0.000 2.179 174 I HA -0.250 3.921 4.170 0.001 0.000 0.242 174 I C 2.147 178.250 176.117 -0.024 0.000 1.088 174 I CA 0.986 62.287 61.300 0.002 0.000 1.357 174 I CB -0.949 37.056 38.000 0.009 0.000 1.051 174 I HN 0.239 nan 8.210 nan 0.000 0.409 175 I N 0.377 120.924 120.570 -0.039 0.000 2.286 175 I HA -0.269 3.902 4.170 0.001 0.000 0.248 175 I C 2.658 178.743 176.117 -0.053 0.000 1.115 175 I CA 1.141 62.435 61.300 -0.009 0.000 1.392 175 I CB -1.298 36.722 38.000 0.034 0.000 1.065 175 I HN 0.238 nan 8.210 nan 0.000 0.418 176 R N 1.387 121.832 120.500 -0.093 0.000 2.094 176 R HA -0.165 4.176 4.340 0.001 0.000 0.239 176 R C 2.455 178.526 176.300 -0.381 0.000 1.137 176 R CA 1.650 57.605 56.100 -0.242 0.000 0.943 176 R CB -0.233 29.958 30.300 -0.183 0.000 0.850 176 R HN 0.275 nan 8.270 nan 0.000 0.433 177 R N -0.361 119.957 120.500 -0.303 0.000 2.096 177 R HA -0.041 4.300 4.340 0.001 0.000 0.235 177 R C 2.318 178.597 176.300 -0.035 0.000 1.127 177 R CA 1.683 57.630 56.100 -0.256 0.000 0.968 177 R CB -0.324 29.944 30.300 -0.053 0.000 0.861 177 R HN 0.319 nan 8.270 nan 0.000 0.440 178 I N 0.363 120.904 120.570 -0.048 0.000 2.406 178 I HA -0.147 4.024 4.170 0.001 0.000 0.249 178 I C 2.545 178.602 176.117 -0.099 0.000 1.122 178 I CA 0.848 62.139 61.300 -0.015 0.000 1.431 178 I CB -0.359 37.639 38.000 -0.002 0.000 1.087 178 I HN 0.147 nan 8.210 nan 0.000 0.424 179 A N 1.082 123.784 122.820 -0.198 0.000 1.933 179 A HA -0.139 4.182 4.320 0.001 0.000 0.218 179 A C 2.277 179.575 177.584 -0.476 0.000 1.175 179 A CA 1.374 53.210 52.037 -0.335 0.000 0.628 179 A CB -0.759 17.893 19.000 -0.580 0.000 0.814 179 A HN 0.395 nan 8.150 nan 0.000 0.444 180 L N -1.121 119.851 121.223 -0.418 0.000 2.217 180 L HA -0.104 4.236 4.340 0.001 0.000 0.211 180 L C 2.943 179.742 176.870 -0.118 0.000 1.107 180 L CA 0.754 55.398 54.840 -0.327 0.000 0.783 180 L CB -0.389 41.577 42.059 -0.156 0.000 0.919 180 L HN 0.438 nan 8.230 nan 0.000 0.442 181 A N -0.614 122.062 122.820 -0.241 0.000 1.968 181 A HA -0.007 4.314 4.320 0.001 0.000 0.217 181 A C 1.108 178.702 177.584 0.017 0.000 1.169 181 A CA 0.902 52.794 52.037 -0.242 0.000 0.638 181 A CB 0.051 18.986 19.000 -0.108 0.000 0.812 181 A HN 0.171 nan 8.150 nan 0.000 0.446 182 R N -0.846 119.655 120.500 0.002 0.000 2.513 182 R HA 0.338 4.679 4.340 0.001 0.000 0.283 182 R C -0.744 175.588 176.300 0.053 0.000 1.535 182 R CA -0.479 55.657 56.100 0.061 0.000 1.315 182 R CB -0.032 30.287 30.300 0.033 0.000 1.163 182 R HN 0.342 nan 8.270 nan 0.000 0.573 183 F N 1.270 121.206 119.950 -0.023 0.000 2.365 183 F HA -0.154 4.374 4.527 0.001 0.000 0.300 183 F C 2.041 177.848 175.800 0.011 0.000 1.090 183 F CA 1.415 59.413 58.000 -0.003 0.000 1.408 183 F CB 0.165 39.169 39.000 0.008 0.000 1.060 183 F HN 0.398 nan 8.300 nan 0.000 0.534 184 D N -0.432 120.074 120.400 0.177 0.000 2.349 184 D HA -0.022 4.618 4.640 0.001 0.000 0.224 184 D C 0.171 176.515 176.300 0.073 0.000 1.029 184 D CA 0.572 54.637 54.000 0.109 0.000 0.879 184 D CB -0.287 40.562 40.800 0.083 0.000 0.906 184 D HN 0.065 nan 8.370 nan 0.000 0.528 185 V N 1.112 121.062 119.914 0.059 0.000 2.448 185 V HA 0.201 4.321 4.120 0.001 0.000 0.295 185 V C 0.270 176.391 176.094 0.045 0.000 1.025 185 V CA -0.763 61.564 62.300 0.045 0.000 0.859 185 V CB 1.682 33.527 31.823 0.036 0.000 0.988 185 V HN -0.037 nan 8.190 nan 0.000 0.431 186 T N 6.806 121.390 114.554 0.049 0.000 2.814 186 T HA 0.533 4.884 4.350 0.001 0.000 0.297 186 T C -0.131 174.602 174.700 0.056 0.000 0.956 186 T CA 0.378 62.511 62.100 0.054 0.000 1.123 186 T CB 0.043 68.935 68.868 0.040 0.000 0.902 186 T HN 0.410 nan 8.240 nan 0.000 0.528 187 I N 4.279 124.897 120.570 0.081 0.000 2.447 187 I HA 0.334 4.505 4.170 0.001 0.000 0.287 187 I C -0.422 175.700 176.117 0.009 0.000 1.023 187 I CA -0.943 60.404 61.300 0.077 0.000 1.083 187 I CB 1.578 39.668 38.000 0.149 0.000 1.245 187 I HN 0.471 nan 8.210 nan 0.000 0.434 188 N N 6.506 125.197 118.700 -0.014 0.000 2.372 188 N HA 0.569 5.310 4.740 0.001 0.000 0.291 188 N C -1.307 174.186 175.510 -0.029 0.000 1.024 188 N CA -0.552 52.464 53.050 -0.058 0.000 0.873 188 N CB 2.974 41.439 38.487 -0.035 0.000 1.206 188 N HN 0.343 nan 8.380 nan 0.000 0.486 189 L N 1.113 122.310 121.223 -0.044 0.000 2.381 189 L HA 0.563 4.904 4.340 0.001 0.000 0.274 189 L C -0.763 176.155 176.870 0.079 0.000 0.988 189 L CA -0.170 54.691 54.840 0.034 0.000 0.824 189 L CB 1.608 43.693 42.059 0.044 0.000 1.263 189 L HN 0.371 nan 8.230 nan 0.000 0.410 190 S N 3.198 118.964 115.700 0.111 0.000 2.542 190 S HA 0.564 5.035 4.470 0.001 0.000 0.293 190 S C -1.453 173.235 174.600 0.146 0.000 1.089 190 S CA -0.510 57.749 58.200 0.098 0.000 0.961 190 S CB 1.358 64.585 63.200 0.044 0.000 1.062 190 S HN 0.764 nan 8.310 nan 0.000 0.483 191 H N 1.905 120.905 119.070 -0.117 0.000 2.667 191 H HA 0.310 4.867 4.556 0.001 0.000 0.353 191 H C -0.583 174.619 175.328 -0.211 0.000 1.072 191 H CA -0.710 55.170 56.048 -0.282 0.000 1.214 191 H CB 0.468 29.666 29.762 -0.940 0.000 1.600 191 H HN 0.708 nan 8.280 nan 0.000 0.527 192 N N 3.529 122.219 118.700 -0.017 0.000 2.705 192 N HA -0.200 4.541 4.740 0.001 0.000 0.255 192 N C 1.029 176.480 175.510 -0.098 0.000 1.008 192 N CA 1.425 54.394 53.050 -0.135 0.000 0.742 192 N CB -1.263 37.018 38.487 -0.345 0.000 0.906 192 N HN 1.095 nan 8.380 nan 0.000 0.541 193 G N -1.079 107.697 108.800 -0.041 0.000 2.189 193 G HA2 -0.380 3.581 3.960 0.001 0.000 0.267 193 G HA3 -0.380 3.581 3.960 0.001 0.000 0.267 193 G C 0.050 174.924 174.900 -0.043 0.000 0.975 193 G CA 1.123 46.201 45.100 -0.037 0.000 0.644 193 G HN 0.701 nan 8.290 nan 0.000 0.537 194 K N 0.274 120.639 120.400 -0.058 0.000 2.270 194 K HA 0.678 4.999 4.320 0.001 0.000 0.255 194 K C 0.506 177.085 176.600 -0.034 0.000 0.936 194 K CA -1.186 55.068 56.287 -0.055 0.000 0.809 194 K CB 0.856 33.307 32.500 -0.083 0.000 1.131 194 K HN 0.144 nan 8.250 nan 0.000 0.427 195 I N 4.595 125.150 120.570 -0.025 0.000 2.533 195 I HA -0.057 4.114 4.170 0.001 0.000 0.284 195 I C 0.927 177.039 176.117 -0.009 0.000 1.109 195 I CA -0.208 61.083 61.300 -0.015 0.000 1.412 195 I CB 1.112 39.096 38.000 -0.027 0.000 1.396 195 I HN 0.516 nan 8.210 nan 0.000 0.543 196 V N 6.006 125.935 119.914 0.024 0.000 2.922 196 V HA 0.145 4.266 4.120 0.001 0.000 0.242 196 V C 0.546 176.639 176.094 -0.002 0.000 1.094 196 V CA 0.789 63.126 62.300 0.061 0.000 1.106 196 V CB -0.281 31.679 31.823 0.229 0.000 0.799 196 V HN 0.919 nan 8.190 nan 0.000 0.474 197 R N 0.747 121.200 120.500 -0.078 0.000 2.728 197 R HA 0.559 4.900 4.340 0.001 0.000 0.274 197 R C -2.095 173.987 176.300 -0.364 0.000 1.032 197 R CA -0.828 55.117 56.100 -0.257 0.000 0.866 197 R CB 1.315 31.385 30.300 -0.383 0.000 1.263 197 R HN 0.199 nan 8.270 nan 0.000 0.475 198 Q N 1.113 120.610 119.800 -0.506 0.000 2.371 198 Q HA 0.291 4.632 4.340 0.001 0.000 0.244 198 Q C -1.800 173.989 176.000 -0.352 0.000 0.882 198 Q CA -0.941 54.635 55.803 -0.377 0.000 0.866 198 Q CB 1.244 29.884 28.738 -0.164 0.000 1.399 198 Q HN 0.577 nan 8.270 nan 0.000 0.432 199 Y N 1.306 121.588 120.300 -0.031 0.000 2.454 199 Y HA 0.379 4.930 4.550 0.001 0.000 0.345 199 Y C 0.472 176.351 175.900 -0.036 0.000 0.970 199 Y CA -0.786 57.284 58.100 -0.051 0.000 1.204 199 Y CB 0.935 39.336 38.460 -0.097 0.000 1.122 199 Y HN 0.361 nan 8.280 nan 0.000 0.514 200 R N 1.912 122.479 120.500 0.112 0.000 2.537 200 R HA 0.462 4.803 4.340 0.001 0.000 0.280 200 R C 0.220 176.570 176.300 0.083 0.000 1.058 200 R CA -0.329 55.816 56.100 0.076 0.000 1.057 200 R CB 0.578 30.915 30.300 0.061 0.000 0.973 200 R HN 0.792 nan 8.270 nan 0.000 0.438 201 A N 2.878 125.741 122.820 0.072 0.000 2.462 201 A HA 0.208 4.529 4.320 0.001 0.000 0.243 201 A C -0.004 177.638 177.584 0.096 0.000 1.076 201 A CA -0.444 51.641 52.037 0.080 0.000 0.773 201 A CB 0.605 19.644 19.000 0.065 0.000 1.010 201 A HN 0.473 nan 8.150 nan 0.000 0.493 202 V N 5.699 125.693 119.914 0.133 0.000 2.406 202 V HA 0.275 4.396 4.120 0.001 0.000 0.272 202 V C -1.470 174.679 176.094 0.091 0.000 1.043 202 V CA -1.083 61.296 62.300 0.130 0.000 0.915 202 V CB 0.834 32.773 31.823 0.193 0.000 0.988 202 V HN 0.945 nan 8.190 nan 0.000 0.466 203 P HA 0.060 nan 4.420 nan 0.000 0.272 203 P C -0.227 177.097 177.300 0.039 0.000 1.248 203 P CA -0.441 62.687 63.100 0.047 0.000 0.799 203 P CB 0.597 32.321 31.700 0.039 0.000 0.997 204 E N -0.004 120.213 120.200 0.028 0.000 2.606 204 E HA 0.167 4.518 4.350 0.001 0.000 0.248 204 E C 1.207 177.815 176.600 0.013 0.000 1.005 204 E CA 0.637 57.048 56.400 0.018 0.000 0.946 204 E CB -0.880 28.828 29.700 0.013 0.000 0.928 204 E HN 0.791 nan 8.360 nan 0.000 0.494 205 G N 3.079 111.882 108.800 0.004 0.000 2.189 205 G HA2 -0.318 3.643 3.960 0.001 0.000 0.267 205 G HA3 -0.318 3.643 3.960 0.001 0.000 0.267 205 G C 0.694 175.600 174.900 0.011 0.000 0.975 205 G CA -0.074 45.026 45.100 -0.001 0.000 0.644 205 G HN 0.827 nan 8.290 nan 0.000 0.537 206 G N -0.748 108.067 108.800 0.024 0.000 2.716 206 G HA2 0.417 4.377 3.960 0.001 0.000 0.251 206 G HA3 0.417 4.377 3.960 0.001 0.000 0.251 206 G C 0.219 175.144 174.900 0.042 0.000 1.224 206 G CA 0.517 45.640 45.100 0.037 0.000 0.891 206 G HN 0.641 nan 8.290 nan 0.000 0.561 207 Q N -0.732 119.099 119.800 0.052 0.000 2.297 207 Q HA 0.206 4.546 4.340 0.001 0.000 0.267 207 Q C 1.280 177.334 176.000 0.090 0.000 1.006 207 Q CA 0.436 56.275 55.803 0.060 0.000 0.896 207 Q CB 0.919 29.690 28.738 0.054 0.000 1.186 207 Q HN 0.546 nan 8.270 nan 0.000 0.392 208 K N 2.806 123.262 120.400 0.093 0.000 2.211 208 K HA -0.050 4.271 4.320 0.001 0.000 0.201 208 K C 1.099 177.790 176.600 0.150 0.000 1.052 208 K CA 0.530 56.903 56.287 0.143 0.000 0.973 208 K CB 0.378 32.872 32.500 -0.010 0.000 0.766 208 K HN 0.514 nan 8.250 nan 0.000 0.466 209 E N 1.355 121.597 120.200 0.069 0.000 2.208 209 E HA -0.224 4.127 4.350 0.001 0.000 0.202 209 E C 1.747 178.356 176.600 0.014 0.000 1.014 209 E CA 1.462 57.853 56.400 -0.015 0.000 0.819 209 E CB -0.110 29.590 29.700 -0.001 0.000 0.735 209 E HN 0.241 nan 8.360 nan 0.000 0.469 210 R N -0.291 120.246 120.500 0.061 0.000 2.070 210 R HA -0.099 4.241 4.340 0.001 0.000 0.232 210 R C 2.548 178.892 176.300 0.074 0.000 1.138 210 R CA 1.675 57.813 56.100 0.064 0.000 0.936 210 R CB -0.420 29.924 30.300 0.074 0.000 0.839 210 R HN 0.104 nan 8.270 nan 0.000 0.429 211 R N 1.005 121.576 120.500 0.119 0.000 2.075 211 R HA -0.129 4.212 4.340 0.001 0.000 0.232 211 R C 2.283 178.565 176.300 -0.030 0.000 1.126 211 R CA 1.138 57.267 56.100 0.049 0.000 0.963 211 R CB -0.344 29.954 30.300 -0.003 0.000 0.858 211 R HN 0.146 nan 8.270 nan 0.000 0.435 212 L N 0.772 122.031 121.223 0.059 0.000 1.990 212 L HA -0.085 4.256 4.340 0.001 0.000 0.213 212 L C 2.233 179.082 176.870 -0.034 0.000 1.072 212 L CA 2.533 57.345 54.840 -0.047 0.000 0.755 212 L CB -1.161 40.729 42.059 -0.281 0.000 0.889 212 L HN 0.342 nan 8.230 nan 0.000 0.432 213 G N -1.452 107.341 108.800 -0.012 0.000 2.422 213 G HA2 -0.230 3.731 3.960 0.001 0.000 0.218 213 G HA3 -0.230 3.731 3.960 0.001 0.000 0.218 213 G C 1.565 176.490 174.900 0.041 0.000 1.146 213 G CA 0.799 45.914 45.100 0.024 0.000 0.769 213 G HN 0.677 nan 8.290 nan 0.000 0.547 214 A N 0.254 123.103 122.820 0.049 0.000 1.969 214 A HA 0.181 4.502 4.320 0.001 0.000 0.218 214 A C 2.342 180.016 177.584 0.149 0.000 1.169 214 A CA 1.047 53.153 52.037 0.115 0.000 0.635 214 A CB -0.184 18.921 19.000 0.175 0.000 0.810 214 A HN 0.401 nan 8.150 nan 0.000 0.445 215 I N -1.419 119.129 120.570 -0.037 0.000 2.429 215 I HA -0.154 4.017 4.170 0.001 0.000 0.247 215 I C 1.902 177.969 176.117 -0.083 0.000 1.099 215 I CA 0.783 61.970 61.300 -0.189 0.000 1.422 215 I CB -0.182 37.499 38.000 -0.530 0.000 1.112 215 I HN 0.302 nan 8.210 nan 0.000 0.430 216 C N 0.923 120.183 119.300 -0.067 0.000 2.634 216 C HA 0.487 4.948 4.460 0.001 0.000 0.268 216 C C 1.149 176.168 174.990 0.048 0.000 1.322 216 C CA 0.126 59.117 59.018 -0.045 0.000 1.737 216 C CB -1.079 26.569 27.740 -0.154 0.000 1.976 216 C HN 0.723 nan 8.230 nan 0.000 0.547 217 G N 0.672 109.515 108.800 0.071 0.000 2.629 217 G HA2 -0.077 3.884 3.960 0.001 0.000 0.686 217 G HA3 -0.077 3.884 3.960 0.001 0.000 0.686 217 G C 0.499 175.457 174.900 0.096 0.000 1.232 217 G CA 0.123 45.272 45.100 0.082 0.000 0.803 217 G HN 0.427 nan 8.290 nan 0.000 0.638 218 T N -1.519 113.073 114.554 0.064 0.000 2.867 218 T HA 0.220 4.571 4.350 0.001 0.000 0.268 218 T C 2.686 177.412 174.700 0.043 0.000 1.057 218 T CA 2.387 64.512 62.100 0.042 0.000 1.136 218 T CB -0.315 68.567 68.868 0.024 0.000 0.874 218 T HN 2.119 nan 8.240 nan 0.000 0.466 219 A N 1.300 124.158 122.820 0.064 0.000 1.892 219 A HA -0.003 4.318 4.320 0.001 0.000 0.218 219 A C 2.063 179.699 177.584 0.087 0.000 1.188 219 A CA 1.783 53.859 52.037 0.064 0.000 0.631 219 A CB -1.248 17.799 19.000 0.077 0.000 0.822 219 A HN 0.549 nan 8.150 nan 0.000 0.447 220 F N -0.014 119.934 119.950 -0.002 0.000 2.113 220 F HA -0.083 4.445 4.527 0.001 0.000 0.297 220 F C 1.838 177.627 175.800 -0.019 0.000 1.103 220 F CA 1.524 59.525 58.000 0.003 0.000 1.248 220 F CB -0.383 38.619 39.000 0.003 0.000 0.999 220 F HN 0.190 nan 8.300 nan 0.000 0.475 221 L N 1.038 122.235 121.223 -0.043 0.000 2.081 221 L HA -0.236 4.105 4.340 0.001 0.000 0.212 221 L C 2.093 178.842 176.870 -0.200 0.000 1.080 221 L CA 2.007 56.745 54.840 -0.171 0.000 0.754 221 L CB -0.994 41.029 42.059 -0.060 0.000 0.893 221 L HN 0.302 nan 8.230 nan 0.000 0.433 222 E N -1.244 118.876 120.200 -0.133 0.000 2.072 222 E HA -0.182 4.168 4.350 0.001 0.000 0.191 222 E C 1.824 178.345 176.600 -0.132 0.000 0.985 222 E CA 0.997 57.333 56.400 -0.106 0.000 0.801 222 E CB -0.106 29.551 29.700 -0.071 0.000 0.750 222 E HN 0.552 nan 8.360 nan 0.000 0.452 223 Q N -0.135 119.559 119.800 -0.176 0.000 2.403 223 Q HA 0.165 4.505 4.340 0.001 0.000 0.203 223 Q C 0.104 175.963 176.000 -0.235 0.000 0.932 223 Q CA 0.070 55.784 55.803 -0.147 0.000 0.945 223 Q CB 0.494 29.187 28.738 -0.075 0.000 1.045 223 Q HN 0.081 nan 8.270 nan 0.000 0.511 224 A N 1.502 124.079 122.820 -0.405 0.000 2.515 224 A HA 0.253 4.574 4.320 0.001 0.000 0.263 224 A C -0.192 177.393 177.584 0.001 0.000 1.096 224 A CA 0.053 51.861 52.037 -0.383 0.000 0.769 224 A CB -0.243 18.427 19.000 -0.549 0.000 1.040 224 A HN 0.304 nan 8.150 nan 0.000 0.505 225 L N 3.280 124.565 121.223 0.104 0.000 2.277 225 L HA 0.476 4.817 4.340 0.001 0.000 0.284 225 L C 0.853 177.834 176.870 0.186 0.000 1.028 225 L CA -0.450 54.468 54.840 0.129 0.000 0.835 225 L CB 1.185 43.282 42.059 0.064 0.000 1.215 225 L HN 0.813 nan 8.230 nan 0.000 0.425 226 A N 5.452 128.387 122.820 0.191 0.000 2.483 226 A HA 0.534 4.855 4.320 0.001 0.000 0.238 226 A C -0.170 177.365 177.584 -0.082 0.000 1.070 226 A CA 0.271 52.289 52.037 -0.031 0.000 0.770 226 A CB 0.192 19.198 19.000 0.009 0.000 1.008 226 A HN 0.686 nan 8.150 nan 0.000 0.497 227 I N 0.736 121.198 120.570 -0.180 0.000 2.582 227 I HA 0.377 4.548 4.170 0.001 0.000 0.292 227 I C -0.301 175.776 176.117 -0.065 0.000 1.066 227 I CA -0.113 61.133 61.300 -0.091 0.000 1.053 227 I CB 2.202 40.151 38.000 -0.086 0.000 1.241 227 I HN 0.728 nan 8.210 nan 0.000 0.421 228 E N 6.185 126.402 120.200 0.027 0.000 2.373 228 E HA 0.242 4.593 4.350 0.001 0.000 0.251 228 E C -1.990 174.723 176.600 0.189 0.000 0.923 228 E CA -0.542 55.894 56.400 0.061 0.000 0.798 228 E CB 1.920 31.629 29.700 0.015 0.000 1.303 228 E HN 0.486 nan 8.360 nan 0.000 0.412 229 W N 5.372 126.653 121.300 -0.033 0.000 2.884 229 W HA 0.310 4.971 4.660 0.001 0.000 0.336 229 W C -1.653 174.967 176.519 0.169 0.000 1.038 229 W CA -0.261 57.072 57.345 -0.020 0.000 1.247 229 W CB 1.694 31.036 29.460 -0.197 0.000 1.351 229 W HN 0.536 nan 8.180 nan 0.000 0.446 230 Q N 3.763 123.542 119.800 -0.035 0.000 2.458 230 Q HA 0.371 4.712 4.340 0.001 0.000 0.282 230 Q C -1.593 174.451 176.000 0.074 0.000 1.106 230 Q CA -0.419 55.467 55.803 0.138 0.000 0.814 230 Q CB 2.356 31.123 28.738 0.050 0.000 1.425 230 Q HN 0.518 nan 8.270 nan 0.000 0.437 231 H N 1.285 120.365 119.070 0.015 0.000 2.965 231 H HA 0.262 4.819 4.556 0.001 0.000 0.280 231 H C -0.105 175.177 175.328 -0.076 0.000 1.463 231 H CA 0.900 56.926 56.048 -0.037 0.000 1.531 231 H CB 0.027 29.821 29.762 0.055 0.000 2.058 231 H HN 0.945 nan 8.280 nan 0.000 0.677 232 G N 3.754 112.553 108.800 -0.002 0.000 2.514 232 G HA2 -0.333 3.628 3.960 0.001 0.000 0.265 232 G HA3 -0.333 3.628 3.960 0.001 0.000 0.265 232 G C 0.831 175.734 174.900 0.006 0.000 1.150 232 G CA 0.395 45.502 45.100 0.011 0.000 0.959 232 G HN 0.484 nan 8.290 nan 0.000 0.556 233 D N 0.741 121.141 120.400 -0.001 0.000 2.264 233 D HA 0.020 4.661 4.640 0.001 0.000 0.208 233 D C 1.347 177.618 176.300 -0.048 0.000 0.966 233 D CA 0.682 54.674 54.000 -0.014 0.000 0.864 233 D CB -0.016 40.780 40.800 -0.007 0.000 0.933 233 D HN 0.303 nan 8.370 nan 0.000 0.499 234 L N 1.332 122.464 121.223 -0.153 0.000 2.281 234 L HA 0.191 4.531 4.340 0.001 0.000 0.285 234 L C 0.323 177.115 176.870 -0.129 0.000 1.074 234 L CA -0.087 54.517 54.840 -0.393 0.000 0.817 234 L CB 1.200 42.568 42.059 -1.152 0.000 1.168 234 L HN -0.112 nan 8.230 nan 0.000 0.434 235 T N 1.580 116.230 114.554 0.160 0.000 2.928 235 T HA 0.568 4.919 4.350 0.001 0.000 0.296 235 T C -0.950 174.047 174.700 0.494 0.000 1.000 235 T CA -0.717 61.621 62.100 0.396 0.000 0.989 235 T CB 1.939 70.921 68.868 0.191 0.000 1.005 235 T HN 0.261 nan 8.240 nan 0.000 0.442 236 L N 2.931 124.474 121.223 0.533 0.000 2.322 236 L HA 0.803 5.144 4.340 0.001 0.000 0.281 236 L C -0.295 176.679 176.870 0.173 0.000 1.014 236 L CA -0.372 54.660 54.840 0.320 0.000 0.815 236 L CB 1.340 43.464 42.059 0.108 0.000 1.247 236 L HN 0.835 nan 8.230 nan 0.000 0.421 237 R N 2.648 123.236 120.500 0.146 0.000 2.869 237 R HA 0.925 5.266 4.340 0.001 0.000 0.263 237 R C -0.545 175.785 176.300 0.050 0.000 1.066 237 R CA -0.627 55.482 56.100 0.014 0.000 0.960 237 R CB 1.973 32.227 30.300 -0.077 0.000 1.221 237 R HN 0.920 nan 8.270 nan 0.000 0.474 238 G N 0.229 108.848 108.800 -0.301 0.000 2.297 238 G HA2 -0.034 3.927 3.960 0.001 0.000 0.209 238 G HA3 -0.034 3.927 3.960 0.001 0.000 0.209 238 G C -1.879 172.612 174.900 -0.681 0.000 1.267 238 G CA -0.824 44.022 45.100 -0.423 0.000 1.127 238 G HN 0.384 nan 8.290 nan 0.000 0.498 239 W N -0.519 120.992 121.300 0.352 0.000 3.022 239 W HA 0.626 5.287 4.660 0.001 0.000 0.335 239 W C -0.735 175.994 176.519 0.350 0.000 1.133 239 W CA -0.751 56.767 57.345 0.289 0.000 1.219 239 W CB 2.191 31.841 29.460 0.317 0.000 1.409 239 W HN 0.504 nan 8.180 nan 0.000 0.507 240 V N 2.006 122.159 119.914 0.398 0.000 2.531 240 V HA 0.531 4.652 4.120 0.001 0.000 0.301 240 V C 0.214 176.430 176.094 0.203 0.000 1.034 240 V CA -0.937 61.560 62.300 0.329 0.000 0.865 240 V CB 1.169 33.083 31.823 0.152 0.000 0.995 240 V HN 0.606 nan 8.190 nan 0.000 0.424 241 A N 2.778 125.741 122.820 0.239 0.000 2.388 241 A HA 0.404 4.725 4.320 0.001 0.000 0.257 241 A C 0.214 177.855 177.584 0.094 0.000 1.095 241 A CA -0.181 51.910 52.037 0.090 0.000 0.791 241 A CB 0.199 19.308 19.000 0.181 0.000 1.029 241 A HN 0.884 nan 8.150 nan 0.000 0.489 242 D N 2.639 123.078 120.400 0.066 0.000 2.451 242 D HA 0.084 4.725 4.640 0.001 0.000 0.254 242 D C -1.545 174.780 176.300 0.041 0.000 1.204 242 D CA -1.340 52.697 54.000 0.062 0.000 0.896 242 D CB 0.857 41.735 40.800 0.131 0.000 1.136 242 D HN 0.148 nan 8.370 nan 0.000 0.499 243 P HA -0.146 nan 4.420 nan 0.000 0.216 243 P C 1.006 178.273 177.300 -0.054 0.000 1.150 243 P CA 1.022 64.120 63.100 -0.003 0.000 0.843 243 P CB 0.178 31.869 31.700 -0.016 0.000 0.787 244 N N -1.522 117.087 118.700 -0.152 0.000 2.381 244 N HA -0.148 4.593 4.740 0.001 0.000 0.182 244 N C 0.801 176.085 175.510 -0.377 0.000 1.025 244 N CA 1.062 53.933 53.050 -0.298 0.000 0.888 244 N CB -0.332 37.888 38.487 -0.446 0.000 0.965 244 N HN 0.185 nan 8.380 nan 0.000 0.438 245 H N -1.359 117.719 119.070 0.014 0.000 2.467 245 H HA 0.285 4.842 4.556 0.001 0.000 0.275 245 H C -0.398 174.946 175.328 0.027 0.000 1.131 245 H CA -0.110 55.947 56.048 0.015 0.000 0.989 245 H CB -0.152 29.613 29.762 0.005 0.000 1.696 245 H HN -0.001 nan 8.280 nan 0.000 0.574 246 T N 2.192 116.805 114.554 0.098 0.000 2.744 246 T HA 0.290 4.640 4.350 0.001 0.000 0.291 246 T C 0.805 175.548 174.700 0.071 0.000 0.957 246 T CA -0.496 61.661 62.100 0.095 0.000 1.002 246 T CB 1.584 70.504 68.868 0.086 0.000 0.919 246 T HN 0.342 nan 8.240 nan 0.000 0.468 247 T N 1.286 115.883 114.554 0.073 0.000 2.944 247 T HA 0.428 4.779 4.350 0.001 0.000 0.284 247 T C -2.013 172.708 174.700 0.036 0.000 1.010 247 T CA -2.248 59.882 62.100 0.050 0.000 1.025 247 T CB 1.370 70.268 68.868 0.050 0.000 1.079 247 T HN 0.066 nan 8.240 nan 0.000 0.516 248 P HA -0.004 nan 4.420 nan 0.000 0.218 248 P C 1.578 178.876 177.300 -0.003 0.000 1.148 248 P CA 1.220 64.323 63.100 0.005 0.000 0.822 248 P CB -0.217 31.485 31.700 0.003 0.000 0.784 249 A N -0.622 122.203 122.820 0.008 0.000 1.933 249 A HA -0.150 4.171 4.320 0.001 0.000 0.218 249 A C 2.127 179.714 177.584 0.004 0.000 1.175 249 A CA 1.356 53.395 52.037 0.005 0.000 0.628 249 A CB -1.554 17.457 19.000 0.019 0.000 0.814 249 A HN 0.136 nan 8.150 nan 0.000 0.444 250 L N -0.954 120.289 121.223 0.033 0.000 2.217 250 L HA -0.081 4.260 4.340 0.001 0.000 0.211 250 L C 2.876 179.743 176.870 -0.005 0.000 1.107 250 L CA 0.689 55.567 54.840 0.063 0.000 0.783 250 L CB -0.430 41.717 42.059 0.147 0.000 0.919 250 L HN 0.428 nan 8.230 nan 0.000 0.442 251 A N -0.047 122.761 122.820 -0.021 0.000 2.178 251 A HA -0.182 4.139 4.320 0.001 0.000 0.218 251 A C 2.009 179.495 177.584 -0.163 0.000 1.157 251 A CA 1.150 53.146 52.037 -0.068 0.000 0.689 251 A CB -0.370 18.609 19.000 -0.035 0.000 0.787 251 A HN 0.461 nan 8.150 nan 0.000 0.465 252 E N -0.520 119.587 120.200 -0.156 0.000 2.347 252 E HA -0.005 4.346 4.350 0.001 0.000 0.196 252 E C -0.152 176.221 176.600 -0.379 0.000 1.008 252 E CA 0.275 56.548 56.400 -0.210 0.000 0.852 252 E CB -0.079 29.543 29.700 -0.129 0.000 0.783 252 E HN 0.660 nan 8.360 nan 0.000 0.505 253 I N 2.301 122.622 120.570 -0.415 0.000 2.268 253 I HA 0.066 4.237 4.170 0.001 0.000 0.290 253 I C -0.297 175.270 176.117 -0.916 0.000 1.125 253 I CA 0.146 61.058 61.300 -0.647 0.000 1.236 253 I CB 0.291 37.945 38.000 -0.576 0.000 1.469 253 I HN -0.120 nan 8.210 nan 0.000 0.512 254 Q N 5.892 124.935 119.800 -1.262 0.000 3.064 254 Q HA 0.337 4.677 4.340 0.001 0.000 0.258 254 Q C -1.549 173.741 176.000 -1.182 0.000 0.972 254 Q CA -0.510 54.360 55.803 -1.555 0.000 0.761 254 Q CB 1.217 29.379 28.738 -0.961 0.000 1.281 254 Q HN 0.453 nan 8.270 nan 0.000 0.455 255 Y N 0.651 120.604 120.300 -0.578 0.000 2.328 255 Y HA 0.434 4.985 4.550 0.001 0.000 0.337 255 Y C 0.393 176.274 175.900 -0.033 0.000 0.966 255 Y CA -1.234 56.720 58.100 -0.243 0.000 1.136 255 Y CB 1.145 39.531 38.460 -0.124 0.000 1.170 255 Y HN 0.484 nan 8.280 nan 0.000 0.470 256 C N 1.609 120.886 119.300 -0.038 0.000 2.561 256 C HA 0.885 5.346 4.460 0.001 0.000 0.319 256 C C -1.315 173.449 174.990 -0.377 0.000 1.198 256 C CA -1.398 57.620 59.018 -0.001 0.000 1.665 256 C CB 0.028 27.861 27.740 0.156 0.000 2.258 256 C HN 0.732 nan 8.230 nan 0.000 0.493 257 Y N 0.665 121.002 120.300 0.062 0.000 2.457 257 Y HA 0.636 5.187 4.550 0.001 0.000 0.343 257 Y C -0.260 175.741 175.900 0.170 0.000 0.994 257 Y CA -1.034 57.126 58.100 0.100 0.000 1.031 257 Y CB 2.065 40.568 38.460 0.072 0.000 1.246 257 Y HN 0.602 nan 8.280 nan 0.000 0.449 258 V N 4.072 124.168 119.914 0.303 0.000 2.313 258 V HA 0.248 4.369 4.120 0.001 0.000 0.278 258 V C -0.402 175.823 176.094 0.218 0.000 1.017 258 V CA -1.129 61.324 62.300 0.256 0.000 0.823 258 V CB 0.763 32.694 31.823 0.180 0.000 1.010 258 V HN 0.950 nan 8.190 nan 0.000 0.443 259 N N 4.635 123.469 118.700 0.222 0.000 2.714 259 N HA -0.225 4.516 4.740 0.001 0.000 0.253 259 N C 1.250 176.869 175.510 0.182 0.000 1.024 259 N CA 1.264 54.418 53.050 0.173 0.000 0.726 259 N CB -0.966 37.590 38.487 0.115 0.000 0.908 259 N HN 1.406 nan 8.380 nan 0.000 0.542 260 G N -0.456 108.494 108.800 0.250 0.000 2.245 260 G HA2 -0.403 3.558 3.960 0.001 0.000 0.264 260 G HA3 -0.403 3.558 3.960 0.001 0.000 0.264 260 G C 0.145 175.212 174.900 0.278 0.000 0.985 260 G CA 0.711 45.950 45.100 0.232 0.000 0.625 260 G HN 0.684 nan 8.290 nan 0.000 0.536 261 R N 1.625 122.284 120.500 0.265 0.000 2.210 261 R HA 0.531 4.872 4.340 0.001 0.000 0.338 261 R C 1.676 178.125 176.300 0.249 0.000 1.062 261 R CA -0.445 55.784 56.100 0.214 0.000 0.902 261 R CB -0.004 30.373 30.300 0.128 0.000 1.050 261 R HN 0.534 nan 8.270 nan 0.000 0.461 262 M N 4.379 124.127 119.600 0.247 0.000 2.247 262 M HA 0.149 4.630 4.480 0.001 0.000 0.318 262 M C -0.287 175.962 176.300 -0.087 0.000 1.054 262 M CA 0.786 56.075 55.300 -0.018 0.000 1.117 262 M CB 0.606 33.214 32.600 0.014 0.000 1.515 262 M HN 0.747 nan 8.290 nan 0.000 0.442 263 M N 1.563 121.099 119.600 -0.107 0.000 2.895 263 M HA 0.490 4.971 4.480 0.001 0.000 0.271 263 M C -1.992 174.365 176.300 0.095 0.000 1.174 263 M CA -0.707 54.628 55.300 0.058 0.000 0.816 263 M CB 2.306 34.947 32.600 0.068 0.000 1.647 263 M HN 0.916 nan 8.290 nan 0.000 0.506 264 R N 1.985 122.568 120.500 0.138 0.000 2.818 264 R HA 0.271 4.612 4.340 0.001 0.000 0.258 264 R C -1.799 174.560 176.300 0.099 0.000 1.797 264 R CA -0.630 55.522 56.100 0.087 0.000 1.532 264 R CB 0.803 31.113 30.300 0.017 0.000 1.413 264 R HN 0.622 nan 8.270 nan 0.000 0.622 265 D N 0.784 121.262 120.400 0.130 0.000 2.193 265 D HA 0.200 4.841 4.640 0.001 0.000 0.244 265 D C 0.881 177.251 176.300 0.118 0.000 1.064 265 D CA -0.566 53.523 54.000 0.149 0.000 0.845 265 D CB 1.292 42.242 40.800 0.250 0.000 1.148 265 D HN 0.197 nan 8.370 nan 0.000 0.464 266 R N 2.235 122.794 120.500 0.099 0.000 2.096 266 R HA -0.113 4.227 4.340 0.001 0.000 0.235 266 R C 1.875 178.238 176.300 0.104 0.000 1.127 266 R CA 0.679 56.830 56.100 0.084 0.000 0.968 266 R CB -0.221 30.110 30.300 0.051 0.000 0.861 266 R HN 0.412 nan 8.270 nan 0.000 0.440 267 L N 1.298 122.583 121.223 0.104 0.000 1.990 267 L HA -0.215 4.126 4.340 0.001 0.000 0.213 267 L C 1.967 178.872 176.870 0.058 0.000 1.072 267 L CA 1.830 56.739 54.840 0.116 0.000 0.755 267 L CB -0.265 41.821 42.059 0.045 0.000 0.889 267 L HN 0.132 nan 8.230 nan 0.000 0.432 268 I N -0.675 119.886 120.570 -0.015 0.000 2.233 268 I HA -0.260 3.910 4.170 0.001 0.000 0.243 268 I C 2.006 178.049 176.117 -0.123 0.000 1.093 268 I CA 1.404 62.640 61.300 -0.107 0.000 1.380 268 I CB -0.582 37.381 38.000 -0.061 0.000 1.067 268 I HN 0.325 nan 8.210 nan 0.000 0.413 269 N N 0.087 118.783 118.700 -0.006 0.000 2.205 269 N HA -0.245 4.496 4.740 0.001 0.000 0.186 269 N C 1.794 177.318 175.510 0.023 0.000 1.015 269 N CA 1.240 54.309 53.050 0.031 0.000 0.862 269 N CB -0.417 38.147 38.487 0.128 0.000 0.986 269 N HN 0.414 nan 8.380 nan 0.000 0.429 270 H N 0.224 119.271 119.070 -0.038 0.000 2.307 270 H HA 0.176 4.733 4.556 0.001 0.000 0.303 270 H C 1.897 177.176 175.328 -0.083 0.000 1.073 270 H CA 1.813 57.854 56.048 -0.011 0.000 1.338 270 H CB -0.481 29.323 29.762 0.071 0.000 1.389 270 H HN 0.170 nan 8.280 nan 0.000 0.503 271 A N 0.857 123.479 122.820 -0.329 0.000 1.948 271 A HA -0.159 4.161 4.320 0.001 0.000 0.220 271 A C 2.574 179.975 177.584 -0.305 0.000 1.177 271 A CA 1.885 53.556 52.037 -0.611 0.000 0.636 271 A CB -0.938 17.545 19.000 -0.862 0.000 0.815 271 A HN 0.540 nan 8.150 nan 0.000 0.449 272 I N -1.445 118.945 120.570 -0.301 0.000 2.133 272 I HA -0.221 3.950 4.170 0.001 0.000 0.238 272 I C 2.693 178.711 176.117 -0.164 0.000 1.074 272 I CA 1.684 62.813 61.300 -0.285 0.000 1.342 272 I CB -0.395 37.324 38.000 -0.467 0.000 1.053 272 I HN 0.316 nan 8.210 nan 0.000 0.404 273 R N 0.741 121.163 120.500 -0.129 0.000 2.200 273 R HA -0.230 4.111 4.340 0.001 0.000 0.234 273 R C 2.296 178.538 176.300 -0.097 0.000 1.127 273 R CA 1.418 57.476 56.100 -0.069 0.000 0.989 273 R CB -0.116 30.169 30.300 -0.026 0.000 0.869 273 R HN 0.454 nan 8.270 nan 0.000 0.459 274 Q N -0.550 119.147 119.800 -0.172 0.000 2.096 274 Q HA -0.078 4.263 4.340 0.001 0.000 0.197 274 Q C 1.882 177.950 176.000 0.113 0.000 0.964 274 Q CA 1.277 56.995 55.803 -0.142 0.000 0.838 274 Q CB -0.062 28.457 28.738 -0.364 0.000 0.906 274 Q HN 0.406 nan 8.270 nan 0.000 0.444 275 A N 0.048 122.975 122.820 0.178 0.000 1.972 275 A HA -0.186 4.135 4.320 0.001 0.000 0.219 275 A C 2.247 179.801 177.584 -0.050 0.000 1.169 275 A CA 1.464 53.518 52.037 0.028 0.000 0.635 275 A CB -0.854 17.996 19.000 -0.250 0.000 0.810 275 A HN 0.619 nan 8.150 nan 0.000 0.446 276 C N -1.350 117.924 119.300 -0.043 0.000 2.500 276 C HA 0.001 4.461 4.460 0.001 0.000 0.279 276 C C 2.627 177.605 174.990 -0.020 0.000 1.288 276 C CA 0.923 59.918 59.018 -0.038 0.000 1.710 276 C CB -0.966 26.761 27.740 -0.021 0.000 2.052 276 C HN 0.777 nan 8.230 nan 0.000 0.488 277 E N 1.250 121.444 120.200 -0.011 0.000 2.085 277 E HA -0.267 4.084 4.350 0.001 0.000 0.194 277 E C 1.202 177.804 176.600 0.003 0.000 0.994 277 E CA 1.816 58.212 56.400 -0.007 0.000 0.801 277 E CB -0.149 29.543 29.700 -0.014 0.000 0.743 277 E HN 0.575 nan 8.360 nan 0.000 0.453 278 D N -0.176 120.241 120.400 0.029 0.000 2.219 278 D HA -0.122 4.519 4.640 0.001 0.000 0.205 278 D C 1.767 178.075 176.300 0.013 0.000 0.970 278 D CA 0.817 54.844 54.000 0.046 0.000 0.851 278 D CB 0.107 40.994 40.800 0.146 0.000 0.943 278 D HN -0.020 nan 8.370 nan 0.000 0.488 279 K N 0.161 120.552 120.400 -0.015 0.000 2.121 279 K HA 0.079 4.400 4.320 0.001 0.000 0.203 279 K C 0.914 177.496 176.600 -0.031 0.000 1.041 279 K CA -0.135 56.130 56.287 -0.036 0.000 0.969 279 K CB -0.411 32.049 32.500 -0.066 0.000 0.799 279 K HN 0.134 nan 8.250 nan 0.000 0.456 280 L N 0.039 121.242 121.223 -0.032 0.000 2.456 280 L HA 0.212 4.553 4.340 0.001 0.000 0.246 280 L C 1.385 178.242 176.870 -0.023 0.000 1.238 280 L CA 1.003 55.823 54.840 -0.033 0.000 0.826 280 L CB 0.314 42.352 42.059 -0.034 0.000 1.150 280 L HN 0.237 nan 8.230 nan 0.000 0.514 281 G N 0.124 108.910 108.800 -0.023 0.000 2.557 281 G HA2 0.292 4.253 3.960 0.001 0.000 0.213 281 G HA3 0.292 4.253 3.960 0.001 0.000 0.213 281 G C 0.216 175.109 174.900 -0.011 0.000 1.221 281 G CA 0.374 45.465 45.100 -0.016 0.000 0.832 281 G HN 0.930 nan 8.290 nan 0.000 0.556 282 A N -0.054 122.759 122.820 -0.012 0.000 2.304 282 A HA 0.519 4.839 4.320 0.001 0.000 0.271 282 A C -0.666 176.915 177.584 -0.004 0.000 1.091 282 A CA -0.233 51.800 52.037 -0.006 0.000 0.812 282 A CB 0.594 19.591 19.000 -0.005 0.000 1.056 282 A HN 0.342 nan 8.150 nan 0.000 0.489 283 D N -0.271 120.129 120.400 0.000 0.000 2.255 283 D HA 0.491 5.132 4.640 0.001 0.000 0.249 283 D C 0.130 176.435 176.300 0.009 0.000 1.078 283 D CA 0.242 54.244 54.000 0.003 0.000 0.896 283 D CB 0.490 41.294 40.800 0.007 0.000 1.194 283 D HN 0.636 nan 8.370 nan 0.000 0.429 284 Q N 1.324 121.132 119.800 0.014 0.000 2.832 284 Q HA 0.323 4.663 4.340 0.001 0.000 0.331 284 Q C -1.332 174.687 176.000 0.032 0.000 0.833 284 Q CA -1.118 54.696 55.803 0.019 0.000 0.794 284 Q CB 0.578 29.325 28.738 0.016 0.000 1.387 284 Q HN 0.173 nan 8.270 nan 0.000 0.508 285 Q N 2.168 121.987 119.800 0.032 0.000 2.406 285 Q HA 0.376 4.716 4.340 0.001 0.000 0.242 285 Q C -2.169 173.870 176.000 0.065 0.000 1.036 285 Q CA -1.580 54.248 55.803 0.042 0.000 0.904 285 Q CB 1.063 29.809 28.738 0.013 0.000 1.244 285 Q HN 0.401 nan 8.270 nan 0.000 0.478 286 P HA 0.225 nan 4.420 nan 0.000 0.274 286 P C -1.085 176.330 177.300 0.192 0.000 1.246 286 P CA -0.359 62.852 63.100 0.184 0.000 0.795 286 P CB 1.026 32.871 31.700 0.242 0.000 1.006 287 A N 1.930 124.891 122.820 0.235 0.000 2.318 287 A HA 0.795 5.116 4.320 0.001 0.000 0.317 287 A C -0.716 177.108 177.584 0.400 0.000 1.159 287 A CA -0.457 51.676 52.037 0.162 0.000 0.799 287 A CB 0.148 19.316 19.000 0.281 0.000 1.194 287 A HN 0.570 nan 8.150 nan 0.000 0.479 288 F N -0.267 119.785 119.950 0.170 0.000 2.773 288 F HA 0.700 5.228 4.527 0.001 0.000 0.314 288 F C -1.511 174.411 175.800 0.203 0.000 1.160 288 F CA -1.302 56.868 58.000 0.283 0.000 0.920 288 F CB 1.287 40.393 39.000 0.178 0.000 1.323 288 F HN 0.258 nan 8.300 nan 0.000 0.457 289 V N 3.114 123.430 119.914 0.670 0.000 2.595 289 V HA 0.414 4.535 4.120 0.001 0.000 0.269 289 V C -0.819 175.582 176.094 0.512 0.000 0.982 289 V CA -0.368 62.280 62.300 0.580 0.000 0.873 289 V CB 1.103 33.350 31.823 0.706 0.000 1.051 289 V HN 0.744 nan 8.190 nan 0.000 0.466 290 L N 3.989 125.430 121.223 0.362 0.000 2.334 290 L HA 0.687 5.028 4.340 0.001 0.000 0.273 290 L C -1.251 175.632 176.870 0.021 0.000 1.013 290 L CA -0.844 54.113 54.840 0.195 0.000 0.816 290 L CB 2.233 44.364 42.059 0.121 0.000 1.278 290 L HN 0.453 nan 8.230 nan 0.000 0.431 291 Y N 2.697 123.144 120.300 0.246 0.000 2.326 291 Y HA 0.454 5.004 4.550 0.001 0.000 0.329 291 Y C -0.453 175.574 175.900 0.210 0.000 0.973 291 Y CA -0.738 57.513 58.100 0.252 0.000 1.162 291 Y CB 1.705 40.247 38.460 0.137 0.000 1.147 291 Y HN 0.282 nan 8.280 nan 0.000 0.456 292 L N 4.497 125.935 121.223 0.359 0.000 2.272 292 L HA 0.565 4.906 4.340 0.001 0.000 0.289 292 L C -0.643 176.399 176.870 0.287 0.000 1.032 292 L CA -0.514 54.525 54.840 0.331 0.000 0.810 292 L CB 0.740 42.994 42.059 0.326 0.000 1.205 292 L HN 0.455 nan 8.230 nan 0.000 0.422 293 E N 6.465 126.809 120.200 0.239 0.000 2.175 293 E HA 0.508 4.859 4.350 0.001 0.000 0.278 293 E C -0.937 175.737 176.600 0.124 0.000 0.969 293 E CA -0.182 56.319 56.400 0.168 0.000 0.796 293 E CB 2.508 32.287 29.700 0.131 0.000 1.104 293 E HN 0.727 nan 8.360 nan 0.000 0.395 294 I N 0.912 121.549 120.570 0.112 0.000 3.004 294 I HA 0.150 4.320 4.170 0.001 0.000 0.305 294 I C -1.154 175.008 176.117 0.075 0.000 1.312 294 I CA -0.878 60.472 61.300 0.084 0.000 0.992 294 I CB 2.425 40.510 38.000 0.141 0.000 1.282 294 I HN 0.247 nan 8.210 nan 0.000 0.449 295 D N 7.756 128.193 120.400 0.063 0.000 2.502 295 D HA 0.046 4.687 4.640 0.001 0.000 0.249 295 D C -1.534 174.827 176.300 0.101 0.000 1.188 295 D CA -1.509 52.542 54.000 0.084 0.000 0.890 295 D CB 1.138 41.975 40.800 0.061 0.000 1.140 295 D HN 0.279 nan 8.370 nan 0.000 0.505 296 P HA -0.185 nan 4.420 nan 0.000 0.220 296 P C 0.368 177.611 177.300 -0.094 0.000 1.144 296 P CA 1.228 64.321 63.100 -0.010 0.000 0.800 296 P CB 0.053 31.723 31.700 -0.052 0.000 0.772 297 H N -0.950 118.096 119.070 -0.040 0.000 2.551 297 H HA 0.096 4.653 4.556 0.001 0.000 0.266 297 H C 1.733 177.030 175.328 -0.053 0.000 0.977 297 H CA 0.664 56.681 56.048 -0.052 0.000 1.163 297 H CB -0.159 29.568 29.762 -0.059 0.000 1.381 297 H HN 0.124 nan 8.280 nan 0.000 0.581 298 Q N 0.301 120.143 119.800 0.070 0.000 2.247 298 Q HA 0.216 4.557 4.340 0.001 0.000 0.204 298 Q C -0.231 175.815 176.000 0.077 0.000 0.872 298 Q CA 0.012 55.859 55.803 0.073 0.000 0.951 298 Q CB 1.253 30.044 28.738 0.088 0.000 1.099 298 Q HN 0.235 nan 8.270 nan 0.000 0.501 299 V N 0.435 120.329 119.914 -0.033 0.000 2.888 299 V HA 0.348 4.469 4.120 0.001 0.000 0.309 299 V C -1.852 174.144 176.094 -0.163 0.000 1.114 299 V CA -0.907 61.282 62.300 -0.184 0.000 0.940 299 V CB 2.563 34.163 31.823 -0.373 0.000 1.021 299 V HN -0.041 nan 8.190 nan 0.000 0.426 300 D N 4.301 124.602 120.400 -0.165 0.000 2.329 300 D HA 0.322 4.963 4.640 0.001 0.000 0.232 300 D C 0.463 176.699 176.300 -0.107 0.000 1.088 300 D CA -0.015 53.917 54.000 -0.114 0.000 0.835 300 D CB 2.114 42.877 40.800 -0.062 0.000 1.078 300 D HN 0.363 nan 8.370 nan 0.000 0.495 301 V N 4.217 124.076 119.914 -0.092 0.000 3.608 301 V HA 0.034 4.155 4.120 0.001 0.000 0.269 301 V C 1.217 177.364 176.094 0.089 0.000 1.245 301 V CA 0.287 62.575 62.300 -0.020 0.000 1.138 301 V CB -0.621 31.191 31.823 -0.019 0.000 0.841 301 V HN 0.588 nan 8.190 nan 0.000 0.451 302 N N 0.436 119.170 118.700 0.056 0.000 3.234 302 N HA 0.218 4.959 4.740 0.001 0.000 0.272 302 N C 0.371 175.958 175.510 0.128 0.000 1.254 302 N CA -0.163 52.995 53.050 0.180 0.000 1.087 302 N CB 0.947 39.492 38.487 0.097 0.000 1.356 302 N HN 0.114 nan 8.380 nan 0.000 0.511 303 V N 0.942 120.941 119.914 0.142 0.000 3.090 303 V HA 0.118 4.239 4.120 0.001 0.000 0.237 303 V C 0.861 177.085 176.094 0.216 0.000 1.209 303 V CA 0.504 62.881 62.300 0.128 0.000 1.209 303 V CB -0.241 31.636 31.823 0.089 0.000 0.971 303 V HN 0.804 nan 8.190 nan 0.000 0.477 304 H N -0.091 119.020 119.070 0.069 0.000 4.664 304 H HA -0.165 4.392 4.556 0.001 0.000 0.066 304 H C -2.605 172.765 175.328 0.071 0.000 0.627 304 H CA 0.821 56.903 56.048 0.057 0.000 0.896 304 H CB -1.051 28.738 29.762 0.045 0.000 0.407 304 H HN 0.433 nan 8.280 nan 0.000 0.816 308 H N -0.508 118.564 119.070 0.004 0.000 3.935 308 H HA 0.172 4.728 4.556 0.001 0.000 0.264 308 H C -0.158 175.183 175.328 0.022 0.000 1.148 308 H CA 0.071 56.124 56.048 0.010 0.000 1.177 308 H CB 0.973 30.731 29.762 -0.006 0.000 1.511 308 H HN 0.715 nan 8.280 nan 0.000 0.745 309 E N 1.840 122.118 120.200 0.130 0.000 2.343 309 E HA 0.434 4.784 4.350 0.001 0.000 0.269 309 E C -0.346 176.289 176.600 0.058 0.000 1.047 309 E CA -0.515 55.941 56.400 0.093 0.000 0.874 309 E CB 2.237 31.984 29.700 0.078 0.000 1.033 309 E HN 0.109 nan 8.360 nan 0.000 0.409 310 V N -0.569 119.366 119.914 0.035 0.000 3.188 310 V HA 0.645 4.765 4.120 0.001 0.000 0.305 310 V C -1.162 174.880 176.094 -0.087 0.000 1.232 310 V CA -1.255 61.001 62.300 -0.074 0.000 1.043 310 V CB 2.171 33.877 31.823 -0.194 0.000 1.068 310 V HN 0.642 nan 8.190 nan 0.000 0.439 311 R N 1.333 121.715 120.500 -0.196 0.000 2.514 311 R HA 0.637 4.978 4.340 0.001 0.000 0.296 311 R C -1.899 174.293 176.300 -0.181 0.000 1.012 311 R CA -0.308 55.743 56.100 -0.081 0.000 0.897 311 R CB 2.057 32.351 30.300 -0.011 0.000 1.184 311 R HN 0.676 nan 8.270 nan 0.000 0.440 312 F N 2.546 122.534 119.950 0.063 0.000 2.404 312 F HA 0.164 4.692 4.527 0.001 0.000 0.345 312 F C 2.032 177.882 175.800 0.083 0.000 1.110 312 F CA -0.505 57.545 58.000 0.082 0.000 1.130 312 F CB 0.680 39.730 39.000 0.083 0.000 1.129 312 F HN 0.583 nan 8.300 nan 0.000 0.500 313 H N 2.563 121.731 119.070 0.163 0.000 2.387 313 H HA -0.051 4.506 4.556 0.001 0.000 0.299 313 H C 0.039 175.434 175.328 0.112 0.000 1.090 313 H CA 1.628 57.740 56.048 0.106 0.000 1.332 313 H CB 0.510 30.315 29.762 0.073 0.000 1.386 313 H HN 0.636 nan 8.280 nan 0.000 0.516 314 Q N 0.962 120.938 119.800 0.293 0.000 2.824 314 Q HA 0.126 4.467 4.340 0.001 0.000 0.371 314 Q C 1.236 177.313 176.000 0.129 0.000 1.071 314 Q CA -0.200 55.716 55.803 0.188 0.000 1.064 314 Q CB 1.146 30.017 28.738 0.222 0.000 1.332 314 Q HN 0.200 nan 8.270 nan 0.000 0.445 315 S N 1.867 117.632 115.700 0.109 0.000 2.407 315 S HA -0.330 4.141 4.470 0.001 0.000 0.244 315 S C 1.735 176.353 174.600 0.029 0.000 1.077 315 S CA 1.993 60.237 58.200 0.074 0.000 1.159 315 S CB 0.155 63.386 63.200 0.053 0.000 1.045 315 S HN 0.589 nan 8.310 nan 0.000 0.438 316 R N -0.010 120.500 120.500 0.016 0.000 2.083 316 R HA -0.082 4.259 4.340 0.001 0.000 0.237 316 R C 2.424 178.757 176.300 0.054 0.000 1.137 316 R CA 1.603 57.704 56.100 0.002 0.000 0.951 316 R CB -0.781 29.509 30.300 -0.018 0.000 0.851 316 R HN 0.430 nan 8.270 nan 0.000 0.434 317 L N 0.967 122.222 121.223 0.054 0.000 1.971 317 L HA -0.204 4.137 4.340 0.001 0.000 0.215 317 L C 2.191 179.114 176.870 0.089 0.000 1.072 317 L CA 1.716 56.593 54.840 0.062 0.000 0.758 317 L CB -0.601 41.481 42.059 0.039 0.000 0.889 317 L HN -0.052 nan 8.230 nan 0.000 0.433 318 V N -0.001 119.939 119.914 0.042 0.000 2.252 318 V HA -0.401 3.719 4.120 0.001 0.000 0.249 318 V C 2.672 178.804 176.094 0.063 0.000 1.056 318 V CA 2.195 64.495 62.300 -0.000 0.000 1.022 318 V CB -1.265 30.398 31.823 -0.267 0.000 0.641 318 V HN 0.713 nan 8.190 nan 0.000 0.445 319 H N 0.291 119.315 119.070 -0.077 0.000 2.353 319 H HA -0.241 4.316 4.556 0.001 0.000 0.298 319 H C 2.276 177.621 175.328 0.027 0.000 1.103 319 H CA 2.293 58.313 56.048 -0.047 0.000 1.293 319 H CB -0.388 29.349 29.762 -0.041 0.000 1.372 319 H HN 0.561 nan 8.280 nan 0.000 0.501 320 D N -0.465 120.130 120.400 0.325 0.000 2.183 320 D HA -0.154 4.487 4.640 0.001 0.000 0.203 320 D C 2.203 178.634 176.300 0.219 0.000 0.969 320 D CA 0.417 54.596 54.000 0.298 0.000 0.842 320 D CB -0.412 40.528 40.800 0.232 0.000 0.957 320 D HN 0.320 nan 8.370 nan 0.000 0.484 321 F N 1.810 121.794 119.950 0.057 0.000 2.051 321 F HA -0.139 4.389 4.527 0.001 0.000 0.296 321 F C 2.263 178.017 175.800 -0.076 0.000 1.122 321 F CA 1.389 59.432 58.000 0.073 0.000 1.201 321 F CB -0.603 38.441 39.000 0.073 0.000 0.978 321 F HN -0.115 nan 8.300 nan 0.000 0.472 322 I N -0.797 119.654 120.570 -0.198 0.000 2.208 322 I HA -0.334 3.837 4.170 0.001 0.000 0.245 322 I C 2.359 178.197 176.117 -0.465 0.000 1.097 322 I CA 1.740 62.799 61.300 -0.402 0.000 1.363 322 I CB -0.880 36.971 38.000 -0.247 0.000 1.051 322 I HN 0.277 nan 8.210 nan 0.000 0.413 323 Y N 2.146 122.177 120.300 -0.448 0.000 2.128 323 Y HA -0.320 4.231 4.550 0.001 0.000 0.284 323 Y C 2.704 178.335 175.900 -0.450 0.000 1.154 323 Y CA 1.702 59.559 58.100 -0.405 0.000 1.149 323 Y CB -0.394 37.901 38.460 -0.276 0.000 0.976 323 Y HN 0.161 nan 8.280 nan 0.000 0.505 324 Q N 0.046 119.460 119.800 -0.643 0.000 2.020 324 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 324 Q C 2.633 177.763 176.000 -1.449 0.000 0.982 324 Q CA 1.476 56.757 55.803 -0.871 0.000 0.838 324 Q CB -1.394 27.095 28.738 -0.414 0.000 0.899 324 Q HN 0.640 nan 8.270 nan 0.000 0.423 325 G N 0.703 108.363 108.800 -1.899 0.000 2.491 325 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 325 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 325 G C 1.653 175.971 174.900 -0.970 0.000 1.180 325 G CA 1.471 45.398 45.100 -1.956 0.000 0.774 325 G HN 0.283 nan 8.290 nan 0.000 0.562 326 V N 0.667 120.145 119.914 -0.726 0.000 2.270 326 V HA -0.111 4.010 4.120 0.001 0.000 0.245 326 V C 2.669 178.490 176.094 -0.455 0.000 1.043 326 V CA 1.582 63.601 62.300 -0.469 0.000 1.014 326 V CB -0.632 30.960 31.823 -0.385 0.000 0.645 326 V HN 0.336 nan 8.190 nan 0.000 0.447 327 L N 0.473 121.332 121.223 -0.605 0.000 1.997 327 L HA -0.225 4.116 4.340 0.001 0.000 0.216 327 L C 2.703 179.332 176.870 -0.402 0.000 1.074 327 L CA 2.568 57.078 54.840 -0.550 0.000 0.763 327 L CB -0.991 40.557 42.059 -0.853 0.000 0.890 327 L HN 0.383 nan 8.230 nan 0.000 0.434 328 S N -1.361 114.048 115.700 -0.484 0.000 2.369 328 S HA -0.216 4.255 4.470 0.001 0.000 0.225 328 S C 1.988 176.485 174.600 -0.170 0.000 1.043 328 S CA 2.004 60.031 58.200 -0.289 0.000 1.074 328 S CB -0.618 62.391 63.200 -0.320 0.000 0.962 328 S HN 0.326 nan 8.310 nan 0.000 0.433 329 V N 2.147 121.944 119.914 -0.194 0.000 2.407 329 V HA -0.121 4.000 4.120 0.001 0.000 0.248 329 V C 2.256 178.298 176.094 -0.086 0.000 1.055 329 V CA 1.701 63.938 62.300 -0.104 0.000 1.049 329 V CB -0.776 30.986 31.823 -0.101 0.000 0.662 329 V HN 0.513 nan 8.190 nan 0.000 0.455 330 L N -0.219 120.931 121.223 -0.122 0.000 2.642 330 L HA -0.097 4.244 4.340 0.001 0.000 0.236 330 L C 0.805 177.632 176.870 -0.071 0.000 1.169 330 L CA 1.051 55.837 54.840 -0.090 0.000 0.851 330 L CB -0.392 41.598 42.059 -0.114 0.000 0.968 330 L HN 0.495 nan 8.230 nan 0.000 0.453 331 Q N -0.311 119.447 119.800 -0.071 0.000 3.180 331 Q HA 0.491 4.832 4.340 0.001 0.000 0.317 331 Q C -0.304 175.679 176.000 -0.027 0.000 0.824 331 Q CA -0.080 55.694 55.803 -0.048 0.000 0.926 331 Q CB 1.313 30.015 28.738 -0.060 0.000 1.487 331 Q HN 0.305 nan 8.270 nan 0.000 0.389 332 Q N 0.000 119.790 119.800 -0.016 0.000 2.315 332 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 332 Q CA 0.000 nan 55.803 nan 0.000 1.022 332 Q CB 0.000 nan 28.738 nan 0.000 1.108 332 Q HN 0.000 nan 8.270 nan 0.000 0.481