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 2ofj_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRSAQVYRWQ IPMXXXXXXX XXXLKTRDGL YVCLREGERE GWGEISPLPG DATA SEQUENCE FSQETWEEAQ SVLLAWVNNW LAGDCELPQM PSVAFGVSCA LAELTDTLPQ DATA SEQUENCE AANYRAAPLC NGDPXXXXXX XXXXXXEKVA KVKVGLYEAV RDGMVVNLLL DATA SEQUENCE EAIPDLHLRL DANRAWTPLK GQQFAKYVNP DYRDRIAFLA EPCKTRDDSR DATA SEQUENCE AFARETGIAI AWDESLREPD FAFVAEEGVR AVVIKPTLTG SLEKVREQVQ DATA SEQUENCE AAHALGLTAV ISSSIESSLG LTQLARIAAW LTPDTIPGLD TLDLMQAQQV DATA SEQUENCE RRWPGSTLPV VEVDALERLL 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 0.000 176.254 176.300 -0.077 0.000 1.140 1 M CA 0.000 55.252 55.300 -0.080 0.000 0.988 1 M CB 0.000 32.574 32.600 -0.044 0.000 1.302 2 R N 1.745 122.165 120.500 -0.133 0.000 2.589 2 R HA 0.932 5.273 4.340 0.001 0.000 0.293 2 R C -0.705 175.598 176.300 0.005 0.000 0.963 2 R CA -0.791 55.233 56.100 -0.126 0.000 0.905 2 R CB 2.201 32.182 30.300 -0.531 0.000 1.144 2 R HN 0.739 nan 8.270 nan 0.000 0.459 3 S N 0.404 116.193 115.700 0.149 0.000 2.588 3 S HA 0.868 5.339 4.470 0.001 0.000 0.275 3 S C -1.415 173.310 174.600 0.208 0.000 1.130 3 S CA -0.802 57.479 58.200 0.135 0.000 0.855 3 S CB 2.447 65.686 63.200 0.066 0.000 1.116 3 S HN 0.743 nan 8.310 nan 0.000 0.472 4 A N 1.188 124.075 122.820 0.112 0.000 2.517 4 A HA 0.753 5.074 4.320 0.001 0.000 0.297 4 A C -1.563 175.992 177.584 -0.048 0.000 1.050 4 A CA -0.682 51.377 52.037 0.036 0.000 0.694 4 A CB 1.728 20.791 19.000 0.105 0.000 1.277 4 A HN 0.695 nan 8.150 nan 0.000 0.400 5 Q N 0.232 119.952 119.800 -0.133 0.000 2.309 5 Q HA 0.680 5.021 4.340 0.001 0.000 0.264 5 Q C -0.636 175.219 176.000 -0.242 0.000 1.008 5 Q CA -0.473 55.186 55.803 -0.241 0.000 0.853 5 Q CB 2.308 30.868 28.738 -0.296 0.000 1.314 5 Q HN 0.558 nan 8.270 nan 0.000 0.448 6 V N 2.657 122.395 119.914 -0.293 0.000 2.667 6 V HA 0.559 4.680 4.120 0.001 0.000 0.308 6 V C -1.085 174.810 176.094 -0.332 0.000 1.048 6 V CA -0.679 61.533 62.300 -0.147 0.000 0.928 6 V CB 1.055 32.848 31.823 -0.050 0.000 1.004 6 V HN 0.662 nan 8.190 nan 0.000 0.444 7 Y N 2.052 122.483 120.300 0.218 0.000 2.602 7 Y HA 0.763 5.313 4.550 0.001 0.000 0.342 7 Y C 0.101 176.106 175.900 0.175 0.000 1.029 7 Y CA -0.963 57.292 58.100 0.257 0.000 1.080 7 Y CB 1.894 40.617 38.460 0.438 0.000 1.284 7 Y HN 0.474 nan 8.280 nan 0.000 0.485 8 R N 2.437 123.136 120.500 0.333 0.000 2.575 8 R HA 0.485 4.826 4.340 0.001 0.000 0.293 8 R C -2.005 174.446 176.300 0.252 0.000 0.983 8 R CA -0.579 55.608 56.100 0.144 0.000 0.887 8 R CB 1.560 31.918 30.300 0.098 0.000 1.184 8 R HN 0.863 nan 8.270 nan 0.000 0.445 9 W N 2.162 123.568 121.300 0.177 0.000 3.074 9 W HA 0.426 5.087 4.660 0.001 0.000 0.332 9 W C -1.837 174.669 176.519 -0.021 0.000 1.253 9 W CA -0.882 56.496 57.345 0.056 0.000 1.180 9 W CB 1.205 30.620 29.460 -0.075 0.000 1.445 9 W HN 0.414 nan 8.180 nan 0.000 0.573 10 Q N 1.781 121.784 119.800 0.337 0.000 2.274 10 Q HA 0.491 4.832 4.340 0.001 0.000 0.268 10 Q C -0.890 175.229 176.000 0.198 0.000 1.015 10 Q CA -0.783 55.106 55.803 0.144 0.000 0.775 10 Q CB 3.240 32.008 28.738 0.049 0.000 1.256 10 Q HN 0.411 nan 8.270 nan 0.000 0.442 11 I N 4.473 125.155 120.570 0.186 0.000 2.359 11 I HA 0.318 4.489 4.170 0.001 0.000 0.284 11 I C -2.139 174.004 176.117 0.043 0.000 1.018 11 I CA -2.292 59.069 61.300 0.103 0.000 1.173 11 I CB 1.096 39.147 38.000 0.085 0.000 1.326 11 I HN 0.247 nan 8.210 nan 0.000 0.462 12 P HA 0.090 nan 4.420 nan 0.000 0.266 12 P C -0.644 176.656 177.300 0.001 0.000 1.193 12 P CA 0.266 63.373 63.100 0.011 0.000 0.770 12 P CB 0.799 32.506 31.700 0.012 0.000 0.836 25 K N -0.425 119.966 120.400 -0.013 0.000 2.214 25 K HA 0.241 4.562 4.320 0.001 0.000 0.201 25 K C 0.542 177.133 176.600 -0.015 0.000 1.049 25 K CA 0.883 57.165 56.287 -0.008 0.000 0.978 25 K CB 0.518 33.017 32.500 -0.002 0.000 0.842 25 K HN 0.744 nan 8.250 nan 0.000 0.474 26 T N -0.321 114.214 114.554 -0.032 0.000 2.940 26 T HA 0.518 4.869 4.350 0.001 0.000 0.288 26 T C -0.714 173.934 174.700 -0.087 0.000 1.033 26 T CA -1.009 61.062 62.100 -0.049 0.000 1.033 26 T CB 2.087 70.916 68.868 -0.066 0.000 1.079 26 T HN -0.120 nan 8.240 nan 0.000 0.496 27 R N 1.504 121.958 120.500 -0.076 0.000 2.343 27 R HA 0.480 4.821 4.340 0.001 0.000 0.320 27 R C -1.564 174.581 176.300 -0.258 0.000 0.956 27 R CA -0.550 55.487 56.100 -0.104 0.000 0.836 27 R CB 0.592 30.908 30.300 0.027 0.000 1.151 27 R HN 0.684 nan 8.270 nan 0.000 0.450 28 D N 2.832 122.869 120.400 -0.605 0.000 2.280 28 D HA 0.546 5.187 4.640 0.001 0.000 0.236 28 D C -0.196 175.214 176.300 -1.485 0.000 1.082 28 D CA -0.020 53.172 54.000 -1.348 0.000 0.834 28 D CB 1.901 41.539 40.800 -1.936 0.000 1.100 28 D HN 0.707 nan 8.370 nan 0.000 0.486 29 G N 0.602 108.279 108.800 -1.871 0.000 2.727 29 G HA2 0.711 4.672 3.960 0.001 0.000 0.289 29 G HA3 0.711 4.672 3.960 0.001 0.000 0.289 29 G C -1.471 172.527 174.900 -1.504 0.000 1.418 29 G CA -0.648 43.354 45.100 -1.831 0.000 0.818 29 G HN 0.335 nan 8.290 nan 0.000 0.486 30 L N -0.808 120.013 121.223 -0.669 0.000 2.350 30 L HA 0.648 4.989 4.340 0.001 0.000 0.260 30 L C -1.411 175.640 176.870 0.302 0.000 1.015 30 L CA -0.993 53.750 54.840 -0.162 0.000 0.821 30 L CB 2.378 44.467 42.059 0.051 0.000 1.370 30 L HN 0.451 nan 8.230 nan 0.000 0.416 31 Y N 0.222 120.876 120.300 0.589 0.000 2.562 31 Y HA 0.728 5.279 4.550 0.002 0.000 0.343 31 Y C -0.243 175.866 175.900 0.347 0.000 1.025 31 Y CA -1.264 57.164 58.100 0.547 0.000 1.082 31 Y CB 2.129 41.018 38.460 0.715 0.000 1.264 31 Y HN 0.204 nan 8.280 nan 0.000 0.478 32 V N 1.876 122.017 119.914 0.379 0.000 2.680 32 V HA 0.647 4.768 4.120 0.001 0.000 0.309 32 V C -1.323 174.662 176.094 -0.181 0.000 1.052 32 V CA -0.828 61.524 62.300 0.087 0.000 0.908 32 V CB 1.594 33.410 31.823 -0.013 0.000 1.001 32 V HN 0.946 nan 8.190 nan 0.000 0.431 33 C N 8.008 127.041 119.300 -0.445 0.000 2.321 33 C HA 0.620 5.080 4.460 0.001 0.000 0.323 33 C C -0.537 174.154 174.990 -0.497 0.000 1.191 33 C CA -0.863 57.607 59.018 -0.914 0.000 1.455 33 C CB -0.719 26.189 27.740 -1.385 0.000 2.083 33 C HN 0.894 nan 8.230 nan 0.000 0.442 34 L N 6.367 127.318 121.223 -0.454 0.000 2.312 34 L HA 0.623 4.964 4.340 0.001 0.000 0.281 34 L C 0.255 177.035 176.870 -0.150 0.000 1.070 34 L CA -0.198 54.407 54.840 -0.392 0.000 0.805 34 L CB 0.841 42.486 42.059 -0.689 0.000 1.174 34 L HN 0.620 nan 8.230 nan 0.000 0.434 35 R N 2.437 122.989 120.500 0.087 0.000 2.502 35 R HA 0.327 4.668 4.340 0.001 0.000 0.300 35 R C -0.974 175.501 176.300 0.292 0.000 0.984 35 R CA -0.615 55.569 56.100 0.141 0.000 0.882 35 R CB 2.375 32.719 30.300 0.073 0.000 1.180 35 R HN 0.530 nan 8.270 nan 0.000 0.444 36 E N 2.472 122.815 120.200 0.238 0.000 2.256 36 E HA 0.309 4.660 4.350 0.001 0.000 0.243 36 E C 0.474 177.127 176.600 0.090 0.000 0.925 36 E CA 0.038 56.547 56.400 0.182 0.000 0.748 36 E CB 0.706 30.546 29.700 0.233 0.000 1.206 36 E HN 0.802 nan 8.360 nan 0.000 0.428 37 G N 4.079 112.913 108.800 0.056 0.000 2.574 37 G HA2 -0.372 3.589 3.960 0.001 0.000 0.301 37 G HA3 -0.372 3.589 3.960 0.001 0.000 0.301 37 G C 0.679 175.605 174.900 0.044 0.000 1.166 37 G CA 0.369 45.491 45.100 0.036 0.000 0.971 37 G HN 0.576 nan 8.290 nan 0.000 0.542 38 E N 1.130 121.353 120.200 0.039 0.000 2.478 38 E HA 0.146 4.497 4.350 0.001 0.000 0.194 38 E C 1.470 178.099 176.600 0.047 0.000 1.045 38 E CA 0.524 56.947 56.400 0.039 0.000 0.868 38 E CB 0.275 29.992 29.700 0.029 0.000 0.885 38 E HN 0.406 nan 8.360 nan 0.000 0.505 39 R N 1.750 122.284 120.500 0.056 0.000 2.732 39 R HA 0.238 4.579 4.340 0.001 0.000 0.278 39 R C -0.515 175.827 176.300 0.071 0.000 0.976 39 R CA -0.535 55.601 56.100 0.061 0.000 0.963 39 R CB 0.873 31.206 30.300 0.056 0.000 1.150 39 R HN 0.015 nan 8.270 nan 0.000 0.478 40 E N 1.228 121.469 120.200 0.069 0.000 2.369 40 E HA 0.714 5.065 4.350 0.001 0.000 0.270 40 E C -1.066 175.564 176.600 0.050 0.000 0.909 40 E CA -1.428 54.998 56.400 0.044 0.000 0.775 40 E CB 2.069 31.798 29.700 0.048 0.000 1.270 40 E HN 0.645 nan 8.360 nan 0.000 0.445 41 G N 1.295 110.069 108.800 -0.043 0.000 2.701 41 G HA2 0.498 4.459 3.960 0.001 0.000 0.300 41 G HA3 0.498 4.459 3.960 0.001 0.000 0.300 41 G C -1.938 172.894 174.900 -0.114 0.000 1.410 41 G CA -0.822 44.277 45.100 -0.001 0.000 1.014 41 G HN 0.406 nan 8.290 nan 0.000 0.509 42 W N 0.416 121.663 121.300 -0.089 0.000 2.578 42 W HA 0.760 5.421 4.660 0.001 0.000 0.353 42 W C 0.471 176.916 176.519 -0.123 0.000 1.088 42 W CA -0.245 57.042 57.345 -0.096 0.000 1.235 42 W CB 2.666 32.045 29.460 -0.134 0.000 1.362 42 W HN 0.815 nan 8.180 nan 0.000 0.592 43 G N 0.574 109.466 108.800 0.152 0.000 2.733 43 G HA2 0.464 4.424 3.960 0.001 0.000 0.297 43 G HA3 0.464 4.424 3.960 0.001 0.000 0.297 43 G C -2.081 172.940 174.900 0.202 0.000 1.422 43 G CA -0.803 44.315 45.100 0.030 0.000 0.942 43 G HN 0.356 nan 8.290 nan 0.000 0.510 44 E N 0.229 120.533 120.200 0.172 0.000 2.191 44 E HA 0.549 4.900 4.350 0.001 0.000 0.278 44 E C -0.900 175.859 176.600 0.265 0.000 0.972 44 E CA -0.709 55.940 56.400 0.414 0.000 0.804 44 E CB 1.333 31.333 29.700 0.500 0.000 1.110 44 E HN 0.216 nan 8.360 nan 0.000 0.394 45 I N 3.659 124.397 120.570 0.281 0.000 2.668 45 I HA 0.112 4.283 4.170 0.001 0.000 0.276 45 I C -0.906 175.290 176.117 0.132 0.000 1.139 45 I CA -0.179 61.228 61.300 0.180 0.000 1.133 45 I CB 1.315 39.383 38.000 0.112 0.000 1.327 45 I HN 0.276 nan 8.210 nan 0.000 0.520 46 S N 4.628 120.409 115.700 0.134 0.000 2.399 46 S HA 0.559 5.029 4.470 0.001 0.000 0.215 46 S C -2.637 171.978 174.600 0.025 0.000 1.456 46 S CA -1.443 56.759 58.200 0.003 0.000 1.199 46 S CB 0.574 63.764 63.200 -0.017 0.000 1.063 46 S HN 0.172 nan 8.310 nan 0.000 0.476 47 P HA 0.135 nan 4.420 nan 0.000 0.267 47 P C -0.615 176.688 177.300 0.005 0.000 1.200 47 P CA -0.476 62.647 63.100 0.039 0.000 0.772 47 P CB 0.575 32.314 31.700 0.064 0.000 0.855 48 L N 5.719 126.955 121.223 0.021 0.000 2.257 48 L HA 0.469 4.809 4.340 0.001 0.000 0.290 48 L C -2.470 174.468 176.870 0.113 0.000 1.044 48 L CA -2.764 52.087 54.840 0.019 0.000 0.810 48 L CB 0.632 42.655 42.059 -0.059 0.000 1.193 48 L HN 0.168 nan 8.230 nan 0.000 0.425 49 P HA 0.262 nan 4.420 nan 0.000 0.263 49 P C 0.613 178.019 177.300 0.177 0.000 1.195 49 P CA 0.771 63.927 63.100 0.094 0.000 0.762 49 P CB 0.689 32.413 31.700 0.041 0.000 0.799 50 G N 1.442 110.287 108.800 0.074 0.000 2.175 50 G HA2 -0.309 3.651 3.960 0.001 0.000 0.244 50 G HA3 -0.309 3.651 3.960 0.001 0.000 0.244 50 G C 0.443 175.136 174.900 -0.344 0.000 0.982 50 G CA -0.058 44.981 45.100 -0.100 0.000 0.641 50 G HN 0.477 nan 8.290 nan 0.000 0.527 51 F N 0.794 120.715 119.950 -0.048 0.000 2.496 51 F HA 0.366 4.894 4.527 0.001 0.000 0.274 51 F C 1.473 177.243 175.800 -0.050 0.000 0.924 51 F CA 0.521 58.488 58.000 -0.056 0.000 1.147 51 F CB 0.232 39.195 39.000 -0.062 0.000 0.969 51 F HN 0.083 nan 8.300 nan 0.000 0.749 52 S N 2.120 117.917 115.700 0.161 0.000 2.545 52 S HA 0.095 4.566 4.470 0.001 0.000 0.275 52 S C 0.829 175.454 174.600 0.041 0.000 1.299 52 S CA -0.500 57.746 58.200 0.076 0.000 1.048 52 S CB 1.351 64.591 63.200 0.067 0.000 0.938 52 S HN 0.120 nan 8.310 nan 0.000 0.496 53 Q N 1.305 121.118 119.800 0.021 0.000 2.311 53 Q HA -0.022 4.319 4.340 0.001 0.000 0.203 53 Q C 0.882 176.893 176.000 0.018 0.000 0.954 53 Q CA 0.800 56.608 55.803 0.008 0.000 0.885 53 Q CB -0.008 28.729 28.738 -0.002 0.000 0.963 53 Q HN 0.817 nan 8.270 nan 0.000 0.471 54 E N 0.963 121.181 120.200 0.029 0.000 2.283 54 E HA 0.239 4.589 4.350 0.001 0.000 0.267 54 E C -0.122 176.510 176.600 0.052 0.000 1.045 54 E CA -0.295 56.127 56.400 0.036 0.000 0.884 54 E CB 1.010 30.733 29.700 0.039 0.000 1.106 54 E HN -0.044 nan 8.360 nan 0.000 0.408 55 T N -1.826 112.764 114.554 0.059 0.000 2.936 55 T HA 0.141 4.492 4.350 0.001 0.000 0.282 55 T C 0.631 175.419 174.700 0.147 0.000 1.003 55 T CA -0.807 61.349 62.100 0.093 0.000 1.005 55 T CB 0.774 69.689 68.868 0.079 0.000 1.097 55 T HN 0.687 nan 8.240 nan 0.000 0.532 56 W N 1.408 122.679 121.300 -0.049 0.000 2.318 56 W HA -0.111 4.550 4.660 0.001 0.000 0.313 56 W C 1.752 178.228 176.519 -0.071 0.000 1.221 56 W CA 1.786 59.083 57.345 -0.080 0.000 1.266 56 W CB -0.827 28.571 29.460 -0.104 0.000 1.150 56 W HN 0.909 nan 8.180 nan 0.000 0.496 57 E N -0.312 119.852 120.200 -0.059 0.000 2.216 57 E HA -0.135 4.216 4.350 0.001 0.000 0.192 57 E C 1.959 178.494 176.600 -0.108 0.000 0.988 57 E CA 1.553 57.820 56.400 -0.223 0.000 0.834 57 E CB -0.354 29.229 29.700 -0.195 0.000 0.772 57 E HN 0.393 nan 8.360 nan 0.000 0.479 58 E N 0.636 120.818 120.200 -0.031 0.000 2.047 58 E HA -0.135 4.216 4.350 0.001 0.000 0.191 58 E C 2.127 178.729 176.600 0.002 0.000 0.987 58 E CA 0.903 57.298 56.400 -0.009 0.000 0.799 58 E CB -0.181 29.526 29.700 0.012 0.000 0.752 58 E HN 0.265 nan 8.360 nan 0.000 0.449 59 A N 1.355 124.190 122.820 0.025 0.000 1.917 59 A HA -0.339 3.981 4.320 0.001 0.000 0.219 59 A C 2.134 179.723 177.584 0.008 0.000 1.182 59 A CA 1.947 54.006 52.037 0.037 0.000 0.633 59 A CB -0.639 18.411 19.000 0.082 0.000 0.819 59 A HN 0.239 nan 8.150 nan 0.000 0.448 60 Q N -0.663 119.106 119.800 -0.051 0.000 2.050 60 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 60 Q C 2.419 178.383 176.000 -0.060 0.000 0.980 60 Q CA 1.966 57.706 55.803 -0.104 0.000 0.840 60 Q CB -0.220 28.359 28.738 -0.265 0.000 0.898 60 Q HN 0.696 nan 8.270 nan 0.000 0.424 61 S N -0.823 114.845 115.700 -0.054 0.000 2.348 61 S HA -0.128 4.343 4.470 0.001 0.000 0.221 61 S C 1.918 176.529 174.600 0.018 0.000 1.033 61 S CA 1.464 59.650 58.200 -0.024 0.000 1.010 61 S CB -0.369 62.817 63.200 -0.024 0.000 0.891 61 S HN 0.328 nan 8.310 nan 0.000 0.442 62 V N 1.794 121.726 119.914 0.031 0.000 2.626 62 V HA -0.068 4.053 4.120 0.001 0.000 0.252 62 V C 2.346 178.507 176.094 0.112 0.000 1.067 62 V CA 1.578 63.919 62.300 0.068 0.000 1.081 62 V CB -0.577 31.280 31.823 0.057 0.000 0.686 62 V HN 0.493 nan 8.190 nan 0.000 0.468 63 L N -0.452 120.821 121.223 0.084 0.000 2.023 63 L HA -0.040 4.301 4.340 0.001 0.000 0.205 63 L C 2.167 179.134 176.870 0.161 0.000 1.073 63 L CA 1.825 56.734 54.840 0.115 0.000 0.745 63 L CB -0.537 41.559 42.059 0.062 0.000 0.900 63 L HN 0.170 nan 8.230 nan 0.000 0.435 64 L N -0.316 120.959 121.223 0.087 0.000 2.079 64 L HA -0.224 4.116 4.340 0.001 0.000 0.210 64 L C 2.635 179.556 176.870 0.086 0.000 1.081 64 L CA 1.249 56.131 54.840 0.069 0.000 0.752 64 L CB -0.909 41.159 42.059 0.015 0.000 0.896 64 L HN 0.419 nan 8.230 nan 0.000 0.433 65 A N -0.917 121.959 122.820 0.094 0.000 1.930 65 A HA -0.264 4.057 4.320 0.001 0.000 0.217 65 A C 2.002 179.657 177.584 0.119 0.000 1.175 65 A CA 1.429 53.516 52.037 0.084 0.000 0.627 65 A CB -0.925 18.122 19.000 0.078 0.000 0.815 65 A HN 0.620 nan 8.150 nan 0.000 0.443 66 W N 0.355 121.674 121.300 0.033 0.000 2.379 66 W HA -0.126 4.535 4.660 0.001 0.000 0.307 66 W C 2.016 178.590 176.519 0.091 0.000 1.200 66 W CA 1.994 59.371 57.345 0.055 0.000 1.297 66 W CB -0.256 29.226 29.460 0.037 0.000 1.140 66 W HN 0.096 nan 8.180 nan 0.000 0.507 67 V N 1.479 121.606 119.914 0.355 0.000 2.252 67 V HA -0.419 3.702 4.120 0.001 0.000 0.249 67 V C 2.416 178.539 176.094 0.048 0.000 1.056 67 V CA 2.410 64.844 62.300 0.222 0.000 1.022 67 V CB -1.228 30.720 31.823 0.208 0.000 0.641 67 V HN 0.325 nan 8.190 nan 0.000 0.445 68 N N 0.306 119.020 118.700 0.024 0.000 2.094 68 N HA -0.206 4.535 4.740 0.001 0.000 0.191 68 N C 1.611 177.064 175.510 -0.095 0.000 1.023 68 N CA 1.701 54.739 53.050 -0.020 0.000 0.857 68 N CB -0.228 38.249 38.487 -0.016 0.000 1.013 68 N HN 0.516 nan 8.380 nan 0.000 0.426 69 N N -0.270 118.329 118.700 -0.167 0.000 2.331 69 N HA -0.140 4.600 4.740 0.001 0.000 0.180 69 N C 1.435 176.752 175.510 -0.321 0.000 1.019 69 N CA 0.449 53.360 53.050 -0.232 0.000 0.881 69 N CB -0.466 37.879 38.487 -0.236 0.000 0.972 69 N HN 0.449 nan 8.380 nan 0.000 0.435 70 W N 1.915 122.802 121.300 -0.687 0.000 2.381 70 W HA 0.051 4.712 4.660 0.001 0.000 0.301 70 W C 1.846 178.171 176.519 -0.324 0.000 1.205 70 W CA 0.663 57.614 57.345 -0.657 0.000 1.285 70 W CB -0.394 28.457 29.460 -1.015 0.000 1.133 70 W HN -0.072 nan 8.180 nan 0.000 0.521 71 L N 0.793 121.913 121.223 -0.171 0.000 2.079 71 L HA -0.226 4.115 4.340 0.001 0.000 0.210 71 L C 2.608 179.283 176.870 -0.324 0.000 1.081 71 L CA 1.579 56.256 54.840 -0.271 0.000 0.752 71 L CB -1.153 40.865 42.059 -0.069 0.000 0.896 71 L HN 0.116 nan 8.230 nan 0.000 0.433 72 A N -0.960 121.709 122.820 -0.252 0.000 2.209 72 A HA 0.187 4.508 4.320 0.001 0.000 0.212 72 A C 1.789 179.221 177.584 -0.252 0.000 1.158 72 A CA 1.050 52.959 52.037 -0.214 0.000 0.742 72 A CB -0.423 18.485 19.000 -0.154 0.000 0.790 72 A HN 0.582 nan 8.150 nan 0.000 0.472 73 G N -1.089 107.491 108.800 -0.367 0.000 2.184 73 G HA2 -0.183 3.778 3.960 0.001 0.000 0.206 73 G HA3 -0.183 3.778 3.960 0.001 0.000 0.206 73 G C -0.141 174.606 174.900 -0.254 0.000 0.995 73 G CA 0.167 45.054 45.100 -0.354 0.000 0.651 73 G HN 0.495 nan 8.290 nan 0.000 0.511 74 D N 0.983 121.246 120.400 -0.228 0.000 2.339 74 D HA 0.458 5.099 4.640 0.001 0.000 0.241 74 D C 1.741 177.976 176.300 -0.108 0.000 1.183 74 D CA 0.035 53.952 54.000 -0.138 0.000 0.859 74 D CB 0.228 40.946 40.800 -0.138 0.000 1.067 74 D HN 0.488 nan 8.370 nan 0.000 0.484 75 C N 2.387 121.737 119.300 0.084 0.000 2.791 75 C HA 0.315 4.776 4.460 0.001 0.000 0.270 75 C C 1.037 176.293 174.990 0.443 0.000 1.257 75 C CA -0.851 58.379 59.018 0.353 0.000 1.699 75 C CB -1.481 26.507 27.740 0.412 0.000 1.904 75 C HN 0.645 nan 8.230 nan 0.000 0.603 76 E N 1.733 122.096 120.200 0.272 0.000 2.529 76 E HA 0.152 4.503 4.350 0.001 0.000 0.259 76 E C -0.436 176.454 176.600 0.483 0.000 0.966 76 E CA 0.039 56.607 56.400 0.280 0.000 0.937 76 E CB 0.398 30.198 29.700 0.166 0.000 0.923 76 E HN 0.605 nan 8.360 nan 0.000 0.468 77 L N 6.364 127.793 121.223 0.344 0.000 2.418 77 L HA 0.384 4.725 4.340 0.001 0.000 0.265 77 L C -1.679 175.305 176.870 0.190 0.000 1.143 77 L CA -1.992 52.996 54.840 0.246 0.000 0.809 77 L CB 0.636 42.743 42.059 0.080 0.000 1.124 77 L HN 0.626 nan 8.230 nan 0.000 0.456 78 P HA 0.107 nan 4.420 nan 0.000 0.278 78 P C -0.584 176.746 177.300 0.050 0.000 1.266 78 P CA -0.626 62.533 63.100 0.099 0.000 0.807 78 P CB 0.691 32.431 31.700 0.068 0.000 1.094 79 Q N 0.449 120.282 119.800 0.054 0.000 2.137 79 Q HA 0.005 4.345 4.340 0.001 0.000 0.198 79 Q C 1.042 177.059 176.000 0.028 0.000 0.960 79 Q CA 0.599 56.426 55.803 0.039 0.000 0.847 79 Q CB -0.256 28.505 28.738 0.039 0.000 0.915 79 Q HN 0.360 nan 8.270 nan 0.000 0.448 80 M N 2.893 122.510 119.600 0.028 0.000 2.390 80 M HA 0.021 4.501 4.480 0.001 0.000 0.353 80 M C -1.970 174.345 176.300 0.025 0.000 1.623 80 M CA -1.377 53.938 55.300 0.026 0.000 1.065 80 M CB 0.897 33.515 32.600 0.030 0.000 2.025 80 M HN -0.049 nan 8.290 nan 0.000 0.461 81 P HA -0.133 nan 4.420 nan 0.000 0.216 81 P C 1.241 178.589 177.300 0.079 0.000 1.153 81 P CA 1.603 64.726 63.100 0.039 0.000 0.848 81 P CB -0.036 31.672 31.700 0.015 0.000 0.787 82 S N -0.890 114.858 115.700 0.079 0.000 2.370 82 S HA -0.138 4.333 4.470 0.001 0.000 0.226 82 S C 2.016 176.693 174.600 0.128 0.000 1.033 82 S CA 1.618 59.897 58.200 0.132 0.000 1.011 82 S CB -1.826 61.437 63.200 0.105 0.000 0.852 82 S HN -0.045 nan 8.310 nan 0.000 0.457 83 V N 2.906 122.848 119.914 0.047 0.000 2.270 83 V HA -0.085 4.036 4.120 0.001 0.000 0.245 83 V C 3.189 179.205 176.094 -0.130 0.000 1.043 83 V CA 1.646 63.921 62.300 -0.041 0.000 1.014 83 V CB -1.614 30.179 31.823 -0.049 0.000 0.645 83 V HN 0.658 nan 8.190 nan 0.000 0.447 84 A N -0.479 122.287 122.820 -0.089 0.000 1.948 84 A HA -0.297 4.024 4.320 0.001 0.000 0.220 84 A C 2.160 179.722 177.584 -0.037 0.000 1.177 84 A CA 2.365 54.335 52.037 -0.111 0.000 0.636 84 A CB -0.803 18.183 19.000 -0.023 0.000 0.815 84 A HN 0.597 nan 8.150 nan 0.000 0.449 85 F N 0.565 120.463 119.950 -0.087 0.000 2.051 85 F HA -0.030 4.497 4.527 0.001 0.000 0.296 85 F C 2.371 178.141 175.800 -0.050 0.000 1.122 85 F CA 1.695 59.668 58.000 -0.045 0.000 1.201 85 F CB -0.516 38.477 39.000 -0.010 0.000 0.978 85 F HN 0.242 nan 8.300 nan 0.000 0.472 86 G N -0.045 108.539 108.800 -0.358 0.000 2.402 86 G HA2 -0.203 3.758 3.960 0.001 0.000 0.216 86 G HA3 -0.203 3.758 3.960 0.001 0.000 0.216 86 G C 1.672 176.356 174.900 -0.361 0.000 1.162 86 G CA 0.966 45.809 45.100 -0.427 0.000 0.777 86 G HN 0.347 nan 8.290 nan 0.000 0.539 87 V N 2.036 121.708 119.914 -0.403 0.000 2.252 87 V HA -0.259 3.862 4.120 0.001 0.000 0.249 87 V C 3.349 179.182 176.094 -0.436 0.000 1.056 87 V CA 2.658 64.598 62.300 -0.600 0.000 1.022 87 V CB -0.705 30.440 31.823 -1.130 0.000 0.641 87 V HN 0.628 nan 8.190 nan 0.000 0.445 88 S N -1.192 114.315 115.700 -0.321 0.000 2.383 88 S HA -0.276 4.195 4.470 0.001 0.000 0.229 88 S C 2.009 176.532 174.600 -0.129 0.000 1.030 88 S CA 1.798 59.905 58.200 -0.155 0.000 1.002 88 S CB -1.251 61.921 63.200 -0.046 0.000 0.829 88 S HN 0.580 nan 8.310 nan 0.000 0.467 89 C N 2.329 121.493 119.300 -0.225 0.000 2.413 89 C HA 0.074 4.535 4.460 0.001 0.000 0.277 89 C C 3.390 178.302 174.990 -0.129 0.000 1.228 89 C CA 0.733 59.638 59.018 -0.189 0.000 1.731 89 C CB -1.801 25.742 27.740 -0.329 0.000 2.042 89 C HN 0.768 nan 8.230 nan 0.000 0.468 90 A N 0.074 122.795 122.820 -0.165 0.000 1.908 90 A HA -0.127 4.194 4.320 0.001 0.000 0.218 90 A C 2.129 179.638 177.584 -0.126 0.000 1.181 90 A CA 1.567 53.516 52.037 -0.146 0.000 0.627 90 A CB -0.617 18.247 19.000 -0.226 0.000 0.818 90 A HN 0.635 nan 8.150 nan 0.000 0.445 91 L N -0.954 120.197 121.223 -0.120 0.000 2.027 91 L HA -0.183 4.158 4.340 0.001 0.000 0.206 91 L C 3.149 180.023 176.870 0.006 0.000 1.074 91 L CA 1.045 55.871 54.840 -0.023 0.000 0.745 91 L CB -0.607 41.474 42.059 0.036 0.000 0.898 91 L HN 0.443 nan 8.230 nan 0.000 0.433 92 A N -0.090 122.721 122.820 -0.015 0.000 1.908 92 A HA -0.242 4.078 4.320 0.001 0.000 0.218 92 A C 2.163 179.715 177.584 -0.054 0.000 1.181 92 A CA 1.832 53.852 52.037 -0.028 0.000 0.627 92 A CB -0.478 18.503 19.000 -0.031 0.000 0.818 92 A HN 0.471 nan 8.150 nan 0.000 0.445 93 E N -0.360 119.814 120.200 -0.044 0.000 2.072 93 E HA -0.130 4.221 4.350 0.001 0.000 0.191 93 E C 1.991 178.590 176.600 -0.003 0.000 0.985 93 E CA 0.918 57.303 56.400 -0.026 0.000 0.801 93 E CB -0.307 29.398 29.700 0.009 0.000 0.750 93 E HN 0.626 nan 8.360 nan 0.000 0.452 94 L N 0.934 122.163 121.223 0.009 0.000 2.079 94 L HA -0.166 4.174 4.340 0.001 0.000 0.210 94 L C 2.467 179.363 176.870 0.043 0.000 1.081 94 L CA 1.671 56.537 54.840 0.042 0.000 0.752 94 L CB -0.438 41.669 42.059 0.081 0.000 0.896 94 L HN 0.287 nan 8.230 nan 0.000 0.433 95 T N -5.379 109.190 114.554 0.027 0.000 3.107 95 T HA 0.057 4.407 4.350 0.001 0.000 0.249 95 T C 0.253 174.942 174.700 -0.019 0.000 1.096 95 T CA -0.175 61.935 62.100 0.017 0.000 1.012 95 T CB -0.220 68.663 68.868 0.026 0.000 0.977 95 T HN 0.173 nan 8.240 nan 0.000 0.527 96 D N 2.085 122.463 120.400 -0.037 0.000 2.810 96 D HA -0.140 4.501 4.640 0.001 0.000 0.224 96 D C 1.069 177.295 176.300 -0.124 0.000 1.222 96 D CA 1.363 55.319 54.000 -0.074 0.000 0.698 96 D CB -1.419 39.350 40.800 -0.051 0.000 0.961 96 D HN 0.705 nan 8.370 nan 0.000 0.403 97 T N -3.668 110.785 114.554 -0.169 0.000 2.978 97 T HA 0.113 4.464 4.350 0.001 0.000 0.248 97 T C 0.803 175.154 174.700 -0.582 0.000 1.018 97 T CA -0.505 61.429 62.100 -0.276 0.000 1.026 97 T CB 0.277 69.050 68.868 -0.158 0.000 1.032 97 T HN 0.190 nan 8.240 nan 0.000 0.485 98 L N 5.306 126.258 121.223 -0.452 0.000 2.456 98 L HA 0.404 4.745 4.340 0.001 0.000 0.277 98 L C -2.568 174.076 176.870 -0.376 0.000 1.124 98 L CA -2.065 52.479 54.840 -0.493 0.000 0.880 98 L CB 0.202 42.136 42.059 -0.208 0.000 1.192 98 L HN 0.007 nan 8.230 nan 0.000 0.463 99 P HA 0.240 nan 4.420 nan 0.000 0.282 99 P C -0.468 176.738 177.300 -0.156 0.000 1.259 99 P CA -0.536 62.397 63.100 -0.277 0.000 0.826 99 P CB 1.107 32.623 31.700 -0.307 0.000 1.064 100 Q N 1.326 121.062 119.800 -0.107 0.000 2.245 100 Q HA 0.125 4.466 4.340 0.001 0.000 0.201 100 Q C 0.629 176.593 176.000 -0.060 0.000 0.955 100 Q CA 0.506 56.268 55.803 -0.068 0.000 0.870 100 Q CB -0.912 27.795 28.738 -0.050 0.000 0.945 100 Q HN 0.656 nan 8.270 nan 0.000 0.461 101 A N 0.322 123.105 122.820 -0.062 0.000 2.572 101 A HA 0.341 4.662 4.320 0.001 0.000 0.256 101 A C -0.059 177.463 177.584 -0.104 0.000 1.041 101 A CA 0.822 52.823 52.037 -0.060 0.000 0.790 101 A CB -0.499 18.479 19.000 -0.036 0.000 0.947 101 A HN 0.345 nan 8.150 nan 0.000 0.518 102 A N 2.968 125.668 122.820 -0.201 0.000 2.430 102 A HA 0.724 5.045 4.320 0.001 0.000 0.300 102 A C -0.207 177.059 177.584 -0.530 0.000 1.124 102 A CA -0.760 51.013 52.037 -0.440 0.000 0.766 102 A CB 1.085 19.607 19.000 -0.797 0.000 1.328 102 A HN 0.790 nan 8.150 nan 0.000 0.424 103 N N 0.448 118.841 118.700 -0.512 0.000 2.706 103 N HA 0.344 5.085 4.740 0.001 0.000 0.240 103 N C -0.995 174.341 175.510 -0.290 0.000 1.039 103 N CA -0.223 52.651 53.050 -0.292 0.000 0.888 103 N CB 0.115 38.548 38.487 -0.090 0.000 1.128 103 N HN 0.564 nan 8.380 nan 0.000 0.512 104 Y N 1.031 121.301 120.300 -0.049 0.000 2.466 104 Y HA 0.177 4.727 4.550 0.001 0.000 0.272 104 Y C 0.760 176.768 175.900 0.179 0.000 1.169 104 Y CA -0.480 57.579 58.100 -0.068 0.000 1.285 104 Y CB 0.246 38.450 38.460 -0.427 0.000 1.078 104 Y HN 0.224 nan 8.280 nan 0.000 0.523 105 R N 1.269 121.902 120.500 0.221 0.000 2.442 105 R HA 0.576 4.917 4.340 0.001 0.000 0.291 105 R C -0.228 176.191 176.300 0.197 0.000 1.069 105 R CA -0.168 56.045 56.100 0.189 0.000 1.022 105 R CB 0.553 30.919 30.300 0.111 0.000 0.976 105 R HN 0.024 nan 8.270 nan 0.000 0.443 106 A N 2.544 125.473 122.820 0.181 0.000 2.304 106 A HA 0.580 4.901 4.320 0.001 0.000 0.301 106 A C -0.085 177.548 177.584 0.082 0.000 1.132 106 A CA -0.689 51.431 52.037 0.137 0.000 0.819 106 A CB 1.096 20.166 19.000 0.116 0.000 1.094 106 A HN 0.898 nan 8.150 nan 0.000 0.492 107 A N 3.878 126.735 122.820 0.061 0.000 2.506 107 A HA 0.612 4.933 4.320 0.001 0.000 0.320 107 A C -2.568 175.027 177.584 0.020 0.000 1.424 107 A CA -1.468 50.591 52.037 0.035 0.000 1.044 107 A CB -0.607 18.411 19.000 0.030 0.000 1.140 107 A HN 0.542 nan 8.150 nan 0.000 0.538 108 P HA 0.172 nan 4.420 nan 0.000 0.271 108 P C -0.267 177.031 177.300 -0.004 0.000 1.216 108 P CA -0.125 62.979 63.100 0.006 0.000 0.771 108 P CB 0.679 32.387 31.700 0.012 0.000 0.864 109 L N 4.781 125.995 121.223 -0.015 0.000 2.326 109 L HA 0.533 4.874 4.340 0.001 0.000 0.278 109 L C 0.143 177.008 176.870 -0.008 0.000 1.092 109 L CA 0.108 54.940 54.840 -0.013 0.000 0.810 109 L CB 0.115 42.159 42.059 -0.024 0.000 1.153 109 L HN 0.735 nan 8.230 nan 0.000 0.439 110 C N 2.883 122.184 119.300 0.001 0.000 3.253 110 C HA 0.492 4.952 4.460 0.001 0.000 0.362 110 C C -0.333 174.666 174.990 0.016 0.000 1.487 110 C CA -0.723 58.298 59.018 0.004 0.000 1.179 110 C CB 1.480 29.220 27.740 0.001 0.000 1.660 110 C HN 0.814 nan 8.230 nan 0.000 0.438 111 N N -0.431 118.277 118.700 0.013 0.000 2.067 111 N HA 0.211 4.952 4.740 0.001 0.000 0.227 111 N C 0.900 176.416 175.510 0.010 0.000 1.348 111 N CA 0.830 53.892 53.050 0.020 0.000 0.879 111 N CB 1.225 39.723 38.487 0.019 0.000 1.109 111 N HN 1.003 nan 8.380 nan 0.000 0.501 112 G N 0.740 109.541 108.800 0.003 0.000 2.850 112 G HA2 0.097 4.058 3.960 0.001 0.000 0.207 112 G HA3 0.097 4.058 3.960 0.001 0.000 0.207 112 G C -0.357 174.541 174.900 -0.003 0.000 1.174 112 G CA 0.371 45.470 45.100 -0.002 0.000 0.844 112 G HN 0.305 nan 8.290 nan 0.000 0.635 113 D N 0.250 120.648 120.400 -0.004 0.000 2.746 113 D HA 0.321 4.962 4.640 0.001 0.000 0.211 113 D C -2.916 173.382 176.300 -0.004 0.000 1.242 113 D CA -0.870 53.127 54.000 -0.005 0.000 0.790 113 D CB 0.874 41.670 40.800 -0.006 0.000 1.744 113 D HN 0.207 nan 8.370 nan 0.000 0.520 128 K N 1.989 122.431 120.400 0.069 0.000 2.227 128 K HA 0.644 4.965 4.320 0.001 0.000 0.280 128 K C -0.323 176.330 176.600 0.089 0.000 1.041 128 K CA -0.724 55.601 56.287 0.064 0.000 0.905 128 K CB 1.814 34.343 32.500 0.048 0.000 1.068 128 K HN 0.147 nan 8.250 nan 0.000 0.470 129 V N 1.245 121.191 119.914 0.053 0.000 2.932 129 V HA 0.687 4.808 4.120 0.001 0.000 0.307 129 V C -0.948 175.156 176.094 0.017 0.000 1.147 129 V CA -0.856 61.470 62.300 0.043 0.000 0.951 129 V CB 1.983 33.819 31.823 0.022 0.000 1.031 129 V HN 0.968 nan 8.190 nan 0.000 0.426 130 A N 3.178 125.997 122.820 -0.002 0.000 2.564 130 A HA 0.917 5.238 4.320 0.001 0.000 0.288 130 A C -1.231 176.335 177.584 -0.030 0.000 1.164 130 A CA -0.760 51.272 52.037 -0.008 0.000 0.712 130 A CB 2.250 21.248 19.000 -0.003 0.000 1.303 130 A HN 0.662 nan 8.150 nan 0.000 0.418 131 K N 0.802 121.190 120.400 -0.019 0.000 2.376 131 K HA 0.643 4.964 4.320 0.001 0.000 0.257 131 K C -1.897 174.701 176.600 -0.003 0.000 0.939 131 K CA -0.333 55.941 56.287 -0.023 0.000 0.809 131 K CB 1.773 34.266 32.500 -0.012 0.000 1.121 131 K HN 0.470 nan 8.250 nan 0.000 0.425 132 V N 4.378 124.295 119.914 0.005 0.000 2.540 132 V HA 0.343 4.463 4.120 0.001 0.000 0.302 132 V C -0.469 175.642 176.094 0.028 0.000 1.035 132 V CA -0.978 61.342 62.300 0.034 0.000 0.873 132 V CB 1.826 33.693 31.823 0.072 0.000 0.992 132 V HN 0.687 nan 8.190 nan 0.000 0.428 133 K N 3.390 123.809 120.400 0.033 0.000 2.227 133 K HA 0.662 4.983 4.320 0.001 0.000 0.280 133 K C -0.512 176.111 176.600 0.038 0.000 1.041 133 K CA -0.263 56.034 56.287 0.016 0.000 0.905 133 K CB 1.774 34.288 32.500 0.024 0.000 1.068 133 K HN 0.633 nan 8.250 nan 0.000 0.470 134 V N -1.595 118.297 119.914 -0.037 0.000 3.126 134 V HA 0.790 4.910 4.120 0.001 0.000 0.314 134 V C 0.488 176.484 176.094 -0.162 0.000 1.138 134 V CA -0.403 61.886 62.300 -0.018 0.000 1.034 134 V CB 1.379 33.156 31.823 -0.077 0.000 1.075 134 V HN 0.926 nan 8.190 nan 0.000 0.442 135 G N 0.437 109.228 108.800 -0.014 0.000 2.256 135 G HA2 -0.183 3.778 3.960 0.001 0.000 0.272 135 G HA3 -0.183 3.778 3.960 0.001 0.000 0.272 135 G C -0.192 174.658 174.900 -0.083 0.000 1.076 135 G CA 0.856 45.864 45.100 -0.153 0.000 0.882 135 G HN 0.989 nan 8.290 nan 0.000 0.497 136 L N -1.656 119.577 121.223 0.017 0.000 3.076 136 L HA 0.455 4.796 4.340 0.001 0.000 0.173 136 L C 2.070 178.788 176.870 -0.254 0.000 1.343 136 L CA -0.336 54.416 54.840 -0.146 0.000 0.894 136 L CB -0.164 41.812 42.059 -0.138 0.000 1.372 136 L HN 0.308 nan 8.230 nan 0.000 0.565 137 Y N 0.353 120.694 120.300 0.068 0.000 2.527 137 Y HA 0.045 4.596 4.550 0.001 0.000 0.461 137 Y C 0.369 176.351 175.900 0.135 0.000 1.330 137 Y CA -0.207 57.941 58.100 0.081 0.000 2.062 137 Y CB -0.095 38.402 38.460 0.061 0.000 1.757 137 Y HN 0.091 nan 8.280 nan 0.000 0.696 138 E N -0.780 119.606 120.200 0.311 0.000 2.238 138 E HA 0.417 4.768 4.350 0.001 0.000 0.267 138 E C 0.239 176.947 176.600 0.179 0.000 0.887 138 E CA -0.351 56.179 56.400 0.217 0.000 0.769 138 E CB 2.022 31.810 29.700 0.147 0.000 1.187 138 E HN 0.676 nan 8.360 nan 0.000 0.416 139 A N 2.750 125.653 122.820 0.138 0.000 1.969 139 A HA -0.113 4.208 4.320 0.001 0.000 0.218 139 A C 1.997 179.632 177.584 0.085 0.000 1.169 139 A CA 1.104 53.212 52.037 0.119 0.000 0.635 139 A CB -0.423 18.418 19.000 -0.266 0.000 0.810 139 A HN 0.423 nan 8.150 nan 0.000 0.445 140 V N 0.217 120.117 119.914 -0.024 0.000 2.380 140 V HA -0.302 3.818 4.120 0.001 0.000 0.251 140 V C 2.544 178.529 176.094 -0.182 0.000 1.063 140 V CA 2.597 64.797 62.300 -0.168 0.000 1.055 140 V CB -0.610 31.043 31.823 -0.284 0.000 0.657 140 V HN 0.662 nan 8.190 nan 0.000 0.455 141 R N -0.595 119.873 120.500 -0.054 0.000 2.093 141 R HA -0.061 4.280 4.340 0.001 0.000 0.224 141 R C 2.011 178.361 176.300 0.083 0.000 1.101 141 R CA 1.376 57.464 56.100 -0.021 0.000 0.979 141 R CB -0.438 29.865 30.300 0.004 0.000 0.877 141 R HN 0.487 nan 8.270 nan 0.000 0.441 142 D N 0.234 120.764 120.400 0.217 0.000 2.133 142 D HA -0.138 4.503 4.640 0.001 0.000 0.195 142 D C 1.900 178.436 176.300 0.394 0.000 0.997 142 D CA 1.699 55.940 54.000 0.402 0.000 0.840 142 D CB -0.502 40.691 40.800 0.655 0.000 0.947 142 D HN 0.398 nan 8.370 nan 0.000 0.452 143 G N -0.097 108.794 108.800 0.153 0.000 2.421 143 G HA2 -0.174 3.787 3.960 0.001 0.000 0.217 143 G HA3 -0.174 3.787 3.960 0.001 0.000 0.217 143 G C 1.603 176.437 174.900 -0.110 0.000 1.143 143 G CA 0.222 45.132 45.100 -0.317 0.000 0.784 143 G HN 0.205 nan 8.290 nan 0.000 0.541 144 M N -0.259 119.323 119.600 -0.030 0.000 2.349 144 M HA 0.110 4.591 4.480 0.001 0.000 0.266 144 M C 2.375 178.694 176.300 0.032 0.000 1.076 144 M CA 0.554 55.855 55.300 0.002 0.000 1.126 144 M CB 0.218 32.780 32.600 -0.063 0.000 1.392 144 M HN 0.128 nan 8.290 nan 0.000 0.440 145 V N -0.639 119.307 119.914 0.052 0.000 3.174 145 V HA -0.059 4.062 4.120 0.001 0.000 0.254 145 V C 1.904 178.047 176.094 0.081 0.000 1.120 145 V CA 0.692 63.029 62.300 0.062 0.000 1.114 145 V CB 0.447 32.310 31.823 0.066 0.000 0.756 145 V HN 0.189 nan 8.190 nan 0.000 0.467 146 V N 0.377 120.358 119.914 0.112 0.000 2.379 146 V HA -0.216 3.905 4.120 0.001 0.000 0.245 146 V C 2.175 178.322 176.094 0.089 0.000 1.044 146 V CA 2.523 64.898 62.300 0.125 0.000 1.036 146 V CB -0.738 31.218 31.823 0.222 0.000 0.664 146 V HN 0.705 nan 8.190 nan 0.000 0.453 147 N N -0.161 118.590 118.700 0.085 0.000 2.069 147 N HA -0.206 4.535 4.740 0.001 0.000 0.191 147 N C 1.759 177.358 175.510 0.147 0.000 1.031 147 N CA 1.430 54.581 53.050 0.167 0.000 0.852 147 N CB -0.183 38.376 38.487 0.119 0.000 1.018 147 N HN 0.307 nan 8.380 nan 0.000 0.423 148 L N 0.723 121.996 121.223 0.084 0.000 2.079 148 L HA -0.050 4.291 4.340 0.001 0.000 0.210 148 L C 1.712 178.581 176.870 -0.000 0.000 1.081 148 L CA 1.422 56.290 54.840 0.047 0.000 0.752 148 L CB -0.621 41.459 42.059 0.036 0.000 0.896 148 L HN 0.326 nan 8.230 nan 0.000 0.433 149 L N -1.661 119.559 121.223 -0.005 0.000 2.023 149 L HA -0.198 4.143 4.340 0.001 0.000 0.205 149 L C 2.457 179.260 176.870 -0.112 0.000 1.073 149 L CA 1.131 55.948 54.840 -0.038 0.000 0.745 149 L CB -0.482 41.571 42.059 -0.010 0.000 0.900 149 L HN 0.222 nan 8.230 nan 0.000 0.435 150 L N -0.375 120.761 121.223 -0.146 0.000 2.131 150 L HA -0.233 4.107 4.340 0.001 0.000 0.210 150 L C 2.554 179.005 176.870 -0.698 0.000 1.092 150 L CA 1.182 55.817 54.840 -0.343 0.000 0.759 150 L CB -0.408 41.500 42.059 -0.251 0.000 0.903 150 L HN 0.344 nan 8.230 nan 0.000 0.435 151 E N 0.448 120.308 120.200 -0.567 0.000 2.031 151 E HA -0.233 4.117 4.350 0.001 0.000 0.193 151 E C 2.145 178.599 176.600 -0.244 0.000 0.994 151 E CA 1.361 57.494 56.400 -0.445 0.000 0.800 151 E CB -0.058 29.656 29.700 0.023 0.000 0.752 151 E HN 0.423 nan 8.360 nan 0.000 0.447 152 A N 0.468 123.200 122.820 -0.148 0.000 2.167 152 A HA 0.062 4.382 4.320 0.001 0.000 0.214 152 A C 0.776 178.300 177.584 -0.099 0.000 1.151 152 A CA 0.466 52.450 52.037 -0.089 0.000 0.735 152 A CB 0.151 19.119 19.000 -0.052 0.000 0.802 152 A HN 0.285 nan 8.150 nan 0.000 0.467 153 I N -0.638 119.845 120.570 -0.144 0.000 2.698 153 I HA 0.213 4.384 4.170 0.001 0.000 0.276 153 I C -2.442 173.578 176.117 -0.162 0.000 1.166 153 I CA -1.650 59.578 61.300 -0.119 0.000 1.101 153 I CB 0.700 38.646 38.000 -0.090 0.000 1.305 153 I HN -0.084 nan 8.210 nan 0.000 0.526 154 P HA -0.194 nan 4.420 nan 0.000 0.216 154 P C 1.085 178.302 177.300 -0.139 0.000 1.154 154 P CA 1.637 64.646 63.100 -0.153 0.000 0.865 154 P CB 0.192 31.841 31.700 -0.086 0.000 0.789 155 D N -1.457 118.892 120.400 -0.084 0.000 2.347 155 D HA -0.041 4.600 4.640 0.001 0.000 0.215 155 D C 0.829 177.111 176.300 -0.031 0.000 0.976 155 D CA 0.114 54.093 54.000 -0.035 0.000 0.884 155 D CB -0.519 40.289 40.800 0.012 0.000 0.915 155 D HN 0.147 nan 8.370 nan 0.000 0.526 156 L N 2.081 123.245 121.223 -0.098 0.000 2.380 156 L HA 0.150 4.490 4.340 0.001 0.000 0.273 156 L C -0.535 176.223 176.870 -0.187 0.000 1.138 156 L CA -0.218 54.584 54.840 -0.064 0.000 0.832 156 L CB 0.483 42.498 42.059 -0.073 0.000 1.124 156 L HN -0.008 nan 8.230 nan 0.000 0.454 157 H N 6.279 125.325 119.070 -0.040 0.000 2.505 157 H HA 0.394 4.951 4.556 0.001 0.000 0.338 157 H C -0.887 174.400 175.328 -0.069 0.000 1.057 157 H CA -0.783 55.239 56.048 -0.044 0.000 1.202 157 H CB 1.742 31.481 29.762 -0.037 0.000 1.466 157 H HN 0.526 nan 8.280 nan 0.000 0.499 158 L N 3.551 124.779 121.223 0.008 0.000 2.307 158 L HA 0.415 4.755 4.340 0.001 0.000 0.284 158 L C 0.253 177.019 176.870 -0.173 0.000 1.023 158 L CA -0.657 54.154 54.840 -0.048 0.000 0.810 158 L CB 1.413 43.470 42.059 -0.004 0.000 1.231 158 L HN 0.429 nan 8.230 nan 0.000 0.423 159 R N 4.261 124.599 120.500 -0.269 0.000 2.229 159 R HA 0.598 4.939 4.340 0.001 0.000 0.328 159 R C -1.049 175.100 176.300 -0.253 0.000 1.009 159 R CA -0.469 55.292 56.100 -0.564 0.000 0.864 159 R CB 1.122 31.041 30.300 -0.634 0.000 1.085 159 R HN 0.470 nan 8.270 nan 0.000 0.453 160 L N 1.717 122.833 121.223 -0.178 0.000 2.331 160 L HA 0.452 4.793 4.340 0.001 0.000 0.275 160 L C -0.496 176.383 176.870 0.015 0.000 1.022 160 L CA -0.800 54.021 54.840 -0.032 0.000 0.812 160 L CB 1.811 43.872 42.059 0.003 0.000 1.257 160 L HN 0.504 nan 8.230 nan 0.000 0.435 161 D N 0.810 121.181 120.400 -0.049 0.000 2.476 161 D HA 0.514 5.155 4.640 0.001 0.000 0.251 161 D C -0.021 176.164 176.300 -0.191 0.000 1.291 161 D CA -0.266 53.698 54.000 -0.059 0.000 0.939 161 D CB 1.981 42.776 40.800 -0.008 0.000 1.221 161 D HN 0.538 nan 8.370 nan 0.000 0.567 162 A N 3.439 126.076 122.820 -0.305 0.000 2.229 162 A HA 0.199 4.520 4.320 0.001 0.000 0.211 162 A C 0.778 178.111 177.584 -0.418 0.000 1.193 162 A CA 0.054 51.761 52.037 -0.549 0.000 0.879 162 A CB -0.487 17.943 19.000 -0.951 0.000 0.911 162 A HN 0.690 nan 8.150 nan 0.000 0.492 163 N N 0.004 118.564 118.700 -0.233 0.000 2.716 163 N HA -0.221 4.519 4.740 0.001 0.000 0.250 163 N C -0.062 175.327 175.510 -0.203 0.000 1.033 163 N CA 0.791 53.753 53.050 -0.148 0.000 0.727 163 N CB -1.387 37.056 38.487 -0.072 0.000 0.950 163 N HN 0.623 nan 8.380 nan 0.000 0.541 164 R N -3.227 117.135 120.500 -0.230 0.000 3.516 164 R HA -0.300 4.041 4.340 0.001 0.000 0.271 164 R C 1.192 177.358 176.300 -0.223 0.000 1.098 164 R CA 0.625 56.610 56.100 -0.192 0.000 0.732 164 R CB -1.869 28.363 30.300 -0.113 0.000 1.152 164 R HN 0.577 nan 8.270 nan 0.000 0.455 165 A N -0.366 122.218 122.820 -0.394 0.000 2.014 165 A HA -0.062 4.259 4.320 0.001 0.000 0.218 165 A C 0.530 178.036 177.584 -0.130 0.000 1.163 165 A CA 0.780 52.602 52.037 -0.359 0.000 0.652 165 A CB 0.064 18.709 19.000 -0.592 0.000 0.808 165 A HN 0.405 nan 8.150 nan 0.000 0.449 166 W N -0.060 121.200 121.300 -0.068 0.000 2.639 166 W HA 0.496 5.157 4.660 0.001 0.000 0.347 166 W C 0.383 176.892 176.519 -0.017 0.000 1.067 166 W CA -0.606 56.715 57.345 -0.040 0.000 1.218 166 W CB 0.222 29.654 29.460 -0.048 0.000 1.393 166 W HN 0.153 nan 8.180 nan 0.000 0.557 167 T N -1.382 113.332 114.554 0.267 0.000 2.754 167 T HA 0.204 4.555 4.350 0.001 0.000 0.286 167 T C -1.644 173.165 174.700 0.182 0.000 0.997 167 T CA -1.171 61.031 62.100 0.169 0.000 0.982 167 T CB 1.105 70.040 68.868 0.112 0.000 1.027 167 T HN 0.004 nan 8.240 nan 0.000 0.529 168 P HA -0.146 nan 4.420 nan 0.000 0.217 168 P C 1.763 179.128 177.300 0.108 0.000 1.162 168 P CA 0.595 63.787 63.100 0.153 0.000 0.901 168 P CB -0.154 31.616 31.700 0.116 0.000 0.793 169 L N -0.363 120.899 121.223 0.065 0.000 1.971 169 L HA -0.221 4.120 4.340 0.001 0.000 0.215 169 L C 2.038 178.887 176.870 -0.035 0.000 1.072 169 L CA 2.201 57.056 54.840 0.024 0.000 0.758 169 L CB -1.286 40.785 42.059 0.021 0.000 0.889 169 L HN -0.218 nan 8.230 nan 0.000 0.433 170 K N -0.205 120.145 120.400 -0.084 0.000 2.147 170 K HA -0.012 4.309 4.320 0.001 0.000 0.205 170 K C 1.966 178.170 176.600 -0.660 0.000 1.049 170 K CA 1.043 57.126 56.287 -0.341 0.000 0.936 170 K CB -1.067 31.248 32.500 -0.309 0.000 0.722 170 K HN 0.519 nan 8.250 nan 0.000 0.446 171 G N 0.495 109.149 108.800 -0.243 0.000 2.514 171 G HA2 -0.337 3.624 3.960 0.001 0.000 0.217 171 G HA3 -0.337 3.624 3.960 0.001 0.000 0.217 171 G C 1.541 176.550 174.900 0.181 0.000 1.198 171 G CA 0.839 45.965 45.100 0.044 0.000 0.780 171 G HN 0.302 nan 8.290 nan 0.000 0.565 172 Q N -0.255 119.621 119.800 0.127 0.000 2.435 172 Q HA 0.125 4.466 4.340 0.001 0.000 0.207 172 Q C 2.610 178.622 176.000 0.019 0.000 0.956 172 Q CA 0.631 56.479 55.803 0.075 0.000 0.917 172 Q CB 0.085 28.845 28.738 0.038 0.000 0.997 172 Q HN 0.644 nan 8.270 nan 0.000 0.497 173 Q N -1.323 118.461 119.800 -0.027 0.000 2.137 173 Q HA -0.105 4.236 4.340 0.001 0.000 0.198 173 Q C 1.516 177.528 176.000 0.019 0.000 0.960 173 Q CA 0.928 56.728 55.803 -0.005 0.000 0.847 173 Q CB -0.085 28.624 28.738 -0.048 0.000 0.915 173 Q HN 0.406 nan 8.270 nan 0.000 0.448 174 F N 1.661 121.456 119.950 -0.258 0.000 2.065 174 F HA -0.278 4.250 4.527 0.001 0.000 0.298 174 F C 2.164 177.990 175.800 0.042 0.000 1.112 174 F CA 1.707 59.608 58.000 -0.165 0.000 1.212 174 F CB -0.479 38.280 39.000 -0.403 0.000 0.975 174 F HN 0.009 nan 8.300 nan 0.000 0.476 175 A N 0.142 123.002 122.820 0.066 0.000 1.940 175 A HA -0.284 4.037 4.320 0.001 0.000 0.219 175 A C 2.283 179.786 177.584 -0.135 0.000 1.176 175 A CA 1.971 53.977 52.037 -0.052 0.000 0.631 175 A CB -1.007 17.989 19.000 -0.006 0.000 0.814 175 A HN 0.536 nan 8.150 nan 0.000 0.446 176 K N -1.619 118.733 120.400 -0.081 0.000 2.127 176 K HA -0.198 4.123 4.320 0.001 0.000 0.208 176 K C 0.686 177.084 176.600 -0.337 0.000 1.047 176 K CA 1.913 58.094 56.287 -0.176 0.000 0.927 176 K CB -0.304 32.128 32.500 -0.113 0.000 0.716 176 K HN 0.609 nan 8.250 nan 0.000 0.450 177 Y N -0.069 120.118 120.300 -0.189 0.000 2.625 177 Y HA 0.217 4.768 4.550 0.001 0.000 0.285 177 Y C -0.586 175.190 175.900 -0.206 0.000 1.168 177 Y CA -0.793 57.204 58.100 -0.172 0.000 1.250 177 Y CB 1.017 39.394 38.460 -0.139 0.000 1.130 177 Y HN -0.228 nan 8.280 nan 0.000 0.526 178 V N 0.871 120.687 119.914 -0.163 0.000 2.435 178 V HA 0.178 4.299 4.120 0.001 0.000 0.290 178 V C -0.160 175.842 176.094 -0.153 0.000 1.030 178 V CA -1.227 60.981 62.300 -0.153 0.000 0.881 178 V CB 1.502 33.201 31.823 -0.207 0.000 0.983 178 V HN 0.197 nan 8.190 nan 0.000 0.445 179 N N 6.425 125.019 118.700 -0.177 0.000 2.431 179 N HA 0.201 4.942 4.740 0.001 0.000 0.265 179 N C -1.612 173.748 175.510 -0.249 0.000 1.184 179 N CA -1.793 51.048 53.050 -0.349 0.000 0.943 179 N CB 1.601 39.565 38.487 -0.871 0.000 1.080 179 N HN 0.266 nan 8.380 nan 0.000 0.477 180 P HA -0.153 nan 4.420 nan 0.000 0.217 180 P C 0.358 177.611 177.300 -0.078 0.000 1.151 180 P CA 1.259 64.290 63.100 -0.114 0.000 0.849 180 P CB 0.350 31.983 31.700 -0.112 0.000 0.787 181 D N -1.993 118.332 120.400 -0.124 0.000 2.144 181 D HA -0.149 4.492 4.640 0.001 0.000 0.200 181 D C 1.702 178.074 176.300 0.119 0.000 0.978 181 D CA 1.159 55.142 54.000 -0.029 0.000 0.833 181 D CB -0.818 39.951 40.800 -0.053 0.000 0.961 181 D HN 0.238 nan 8.370 nan 0.000 0.470 182 Y N 0.864 121.140 120.300 -0.039 0.000 2.571 182 Y HA 0.067 4.618 4.550 0.001 0.000 0.294 182 Y C 2.329 178.211 175.900 -0.030 0.000 1.141 182 Y CA -0.159 57.914 58.100 -0.045 0.000 1.308 182 Y CB -0.707 37.728 38.460 -0.042 0.000 1.002 182 Y HN -0.063 nan 8.280 nan 0.000 0.551 183 R N 1.106 121.677 120.500 0.119 0.000 2.070 183 R HA -0.154 4.187 4.340 0.001 0.000 0.233 183 R C 1.662 178.015 176.300 0.089 0.000 1.137 183 R CA 1.982 58.133 56.100 0.086 0.000 0.945 183 R CB -0.276 30.044 30.300 0.034 0.000 0.845 183 R HN 0.351 nan 8.270 nan 0.000 0.430 184 D N -0.457 119.986 120.400 0.072 0.000 2.363 184 D HA -0.118 4.523 4.640 0.001 0.000 0.226 184 D C 0.987 177.343 176.300 0.093 0.000 1.020 184 D CA 0.526 54.574 54.000 0.080 0.000 0.892 184 D CB -0.227 40.614 40.800 0.068 0.000 0.900 184 D HN 0.243 nan 8.370 nan 0.000 0.531 185 R N 0.058 120.586 120.500 0.046 0.000 2.313 185 R HA 0.240 4.580 4.340 0.001 0.000 0.199 185 R C 0.497 176.820 176.300 0.037 0.000 0.958 185 R CA -0.111 55.972 56.100 -0.029 0.000 1.047 185 R CB 0.141 30.274 30.300 -0.277 0.000 0.955 185 R HN 0.248 nan 8.270 nan 0.000 0.481 186 I N 1.673 122.289 120.570 0.077 0.000 2.372 186 I HA -0.030 4.141 4.170 0.001 0.000 0.298 186 I C 1.617 177.763 176.117 0.048 0.000 1.137 186 I CA -0.312 61.032 61.300 0.074 0.000 1.314 186 I CB 0.949 39.037 38.000 0.145 0.000 1.444 186 I HN 0.172 nan 8.210 nan 0.000 0.541 187 A N 7.950 130.746 122.820 -0.039 0.000 1.894 187 A HA -0.189 4.132 4.320 0.001 0.000 0.220 187 A C 0.642 178.198 177.584 -0.047 0.000 1.237 187 A CA 1.951 53.917 52.037 -0.119 0.000 0.660 187 A CB -0.366 18.401 19.000 -0.389 0.000 0.835 187 A HN 0.757 nan 8.150 nan 0.000 0.461 188 F N -5.505 114.484 119.950 0.064 0.000 2.725 188 F HA 0.605 5.133 4.527 0.001 0.000 0.309 188 F C -1.177 174.644 175.800 0.035 0.000 1.132 188 F CA -1.385 56.636 58.000 0.035 0.000 0.957 188 F CB 1.018 40.009 39.000 -0.014 0.000 1.286 188 F HN 0.063 nan 8.300 nan 0.000 0.440 189 L N 2.913 124.304 121.223 0.280 0.000 2.276 189 L HA 0.839 5.180 4.340 0.001 0.000 0.286 189 L C -0.238 176.690 176.870 0.097 0.000 1.024 189 L CA -0.765 54.165 54.840 0.150 0.000 0.826 189 L CB 1.011 43.126 42.059 0.093 0.000 1.211 189 L HN 1.044 nan 8.230 nan 0.000 0.422 190 A N 4.650 127.549 122.820 0.131 0.000 2.404 190 A HA 0.282 4.603 4.320 0.001 0.000 0.273 190 A C 0.398 177.919 177.584 -0.104 0.000 1.144 190 A CA -0.189 51.848 52.037 0.000 0.000 0.806 190 A CB 0.050 19.072 19.000 0.036 0.000 1.080 190 A HN 0.806 nan 8.150 nan 0.000 0.509 191 E N 1.763 121.914 120.200 -0.082 0.000 2.222 191 E HA -0.178 4.173 4.350 0.001 0.000 0.189 191 E C -1.871 174.600 176.600 -0.215 0.000 1.415 191 E CA 0.901 57.273 56.400 -0.046 0.000 0.689 191 E CB -1.216 28.473 29.700 -0.018 0.000 1.107 191 E HN 0.679 nan 8.360 nan 0.000 0.350 192 P HA -0.115 nan 4.420 nan 0.000 0.217 192 P C 0.694 177.783 177.300 -0.351 0.000 1.150 192 P CA 0.876 63.656 63.100 -0.533 0.000 0.832 192 P CB 0.363 31.579 31.700 -0.806 0.000 0.787 193 C N -0.338 118.881 119.300 -0.134 0.000 2.470 193 C HA 0.324 4.785 4.460 0.001 0.000 0.341 193 C C 2.077 177.069 174.990 0.003 0.000 1.190 193 C CA -0.595 58.431 59.018 0.012 0.000 1.904 193 C CB 1.558 29.358 27.740 0.100 0.000 2.354 193 C HN 0.128 nan 8.230 nan 0.000 0.509 194 K N 0.250 120.665 120.400 0.024 0.000 2.286 194 K HA -0.127 4.193 4.320 0.001 0.000 0.203 194 K C 0.886 177.491 176.600 0.008 0.000 1.045 194 K CA 1.464 57.753 56.287 0.002 0.000 0.935 194 K CB -0.106 32.405 32.500 0.019 0.000 0.737 194 K HN 0.886 nan 8.250 nan 0.000 0.460 195 T N -3.108 111.470 114.554 0.039 0.000 2.906 195 T HA 0.313 4.663 4.350 0.001 0.000 0.295 195 T C 0.571 175.319 174.700 0.080 0.000 1.061 195 T CA -1.038 61.084 62.100 0.035 0.000 1.000 195 T CB 2.278 71.164 68.868 0.029 0.000 1.103 195 T HN -0.067 nan 8.240 nan 0.000 0.486 196 R N 0.758 121.279 120.500 0.034 0.000 2.073 196 R HA -0.063 4.278 4.340 0.001 0.000 0.234 196 R C 1.757 178.160 176.300 0.171 0.000 1.134 196 R CA 1.951 58.085 56.100 0.056 0.000 0.952 196 R CB -0.342 29.803 30.300 -0.258 0.000 0.850 196 R HN 0.716 nan 8.270 nan 0.000 0.433 197 D N 0.592 121.045 120.400 0.088 0.000 2.149 197 D HA -0.150 4.491 4.640 0.001 0.000 0.198 197 D C 1.320 177.705 176.300 0.142 0.000 0.990 197 D CA 1.293 55.357 54.000 0.107 0.000 0.839 197 D CB -0.125 40.709 40.800 0.057 0.000 0.948 197 D HN 0.169 nan 8.370 nan 0.000 0.460 198 D N 0.050 120.531 120.400 0.135 0.000 2.117 198 D HA -0.078 4.563 4.640 0.001 0.000 0.197 198 D C 2.149 178.581 176.300 0.219 0.000 0.987 198 D CA 0.667 54.761 54.000 0.157 0.000 0.829 198 D CB -0.285 40.594 40.800 0.131 0.000 0.961 198 D HN -0.022 nan 8.370 nan 0.000 0.460 199 S N -0.077 115.764 115.700 0.236 0.000 2.382 199 S HA -0.080 4.391 4.470 0.001 0.000 0.228 199 S C 1.872 176.657 174.600 0.307 0.000 1.027 199 S CA 0.727 59.082 58.200 0.258 0.000 0.991 199 S CB 0.086 63.463 63.200 0.296 0.000 0.823 199 S HN 0.248 nan 8.310 nan 0.000 0.469 200 R N 0.876 121.561 120.500 0.309 0.000 2.115 200 R HA 0.091 4.432 4.340 0.001 0.000 0.226 200 R C 2.470 178.889 176.300 0.198 0.000 1.100 200 R CA 1.041 57.291 56.100 0.251 0.000 0.980 200 R CB -0.347 30.110 30.300 0.261 0.000 0.875 200 R HN 0.370 nan 8.270 nan 0.000 0.445 201 A N 0.697 123.635 122.820 0.197 0.000 1.969 201 A HA -0.165 4.156 4.320 0.001 0.000 0.218 201 A C 1.881 179.572 177.584 0.178 0.000 1.169 201 A CA 0.843 52.974 52.037 0.156 0.000 0.635 201 A CB -0.506 18.578 19.000 0.140 0.000 0.810 201 A HN 0.381 nan 8.150 nan 0.000 0.445 202 F N 1.024 121.035 119.950 0.101 0.000 2.113 202 F HA -0.030 4.498 4.527 0.001 0.000 0.297 202 F C 2.470 178.327 175.800 0.095 0.000 1.103 202 F CA 1.360 59.427 58.000 0.111 0.000 1.248 202 F CB -0.359 38.732 39.000 0.151 0.000 0.999 202 F HN 0.239 nan 8.300 nan 0.000 0.475 203 A N 1.024 123.993 122.820 0.249 0.000 1.940 203 A HA -0.196 4.125 4.320 0.001 0.000 0.219 203 A C 2.338 179.916 177.584 -0.009 0.000 1.176 203 A CA 1.797 53.895 52.037 0.101 0.000 0.631 203 A CB -0.735 18.346 19.000 0.135 0.000 0.814 203 A HN 0.489 nan 8.150 nan 0.000 0.446 204 R N -0.889 119.622 120.500 0.018 0.000 2.064 204 R HA -0.079 4.262 4.340 0.001 0.000 0.228 204 R C 2.109 178.381 176.300 -0.047 0.000 1.144 204 R CA 1.322 57.422 56.100 0.000 0.000 0.932 204 R CB -0.397 29.920 30.300 0.027 0.000 0.833 204 R HN 0.431 nan 8.270 nan 0.000 0.429 205 E N 0.027 120.188 120.200 -0.065 0.000 2.208 205 E HA -0.106 4.245 4.350 0.001 0.000 0.193 205 E C 1.974 178.484 176.600 -0.150 0.000 0.988 205 E CA 1.725 58.074 56.400 -0.085 0.000 0.828 205 E CB 0.056 29.723 29.700 -0.055 0.000 0.763 205 E HN 0.471 nan 8.360 nan 0.000 0.478 206 T N -3.714 110.677 114.554 -0.273 0.000 3.031 206 T HA 0.164 4.515 4.350 0.001 0.000 0.254 206 T C 1.576 176.163 174.700 -0.189 0.000 1.060 206 T CA 1.039 62.950 62.100 -0.314 0.000 1.135 206 T CB 0.231 68.707 68.868 -0.654 0.000 0.896 206 T HN 0.178 nan 8.240 nan 0.000 0.472 207 G N 1.505 110.217 108.800 -0.147 0.000 2.143 207 G HA2 -0.202 3.758 3.960 0.001 0.000 0.248 207 G HA3 -0.202 3.758 3.960 0.001 0.000 0.248 207 G C -0.005 174.882 174.900 -0.021 0.000 0.991 207 G CA 0.222 45.286 45.100 -0.061 0.000 0.689 207 G HN 0.685 nan 8.290 nan 0.000 0.522 208 I N 1.413 121.962 120.570 -0.035 0.000 2.342 208 I HA 0.520 4.691 4.170 0.001 0.000 0.291 208 I C 1.079 177.298 176.117 0.171 0.000 1.010 208 I CA -0.324 61.040 61.300 0.107 0.000 1.308 208 I CB 1.512 39.649 38.000 0.228 0.000 1.400 208 I HN 0.293 nan 8.210 nan 0.000 0.488 209 A N 8.051 130.968 122.820 0.160 0.000 2.450 209 A HA 0.474 4.795 4.320 0.001 0.000 0.255 209 A C -0.096 177.587 177.584 0.164 0.000 1.096 209 A CA -0.210 51.909 52.037 0.137 0.000 0.778 209 A CB -0.015 19.064 19.000 0.133 0.000 1.031 209 A HN 0.743 nan 8.150 nan 0.000 0.494 210 I N -0.519 120.085 120.570 0.055 0.000 2.822 210 I HA 0.920 5.090 4.170 0.001 0.000 0.312 210 I C -0.001 175.968 176.117 -0.246 0.000 1.011 210 I CA -0.997 60.267 61.300 -0.061 0.000 1.105 210 I CB 2.253 40.155 38.000 -0.164 0.000 1.291 210 I HN 0.646 nan 8.210 nan 0.000 0.474 211 A N 2.744 125.361 122.820 -0.337 0.000 2.454 211 A HA 0.687 5.008 4.320 0.001 0.000 0.302 211 A C -1.926 175.389 177.584 -0.448 0.000 1.079 211 A CA -0.641 51.095 52.037 -0.502 0.000 0.731 211 A CB 0.830 19.418 19.000 -0.687 0.000 1.299 211 A HN 0.841 nan 8.150 nan 0.000 0.413 212 W N 0.811 122.050 121.300 -0.102 0.000 2.417 212 W HA 0.517 5.178 4.660 0.001 0.000 0.317 212 W C 0.379 176.779 176.519 -0.197 0.000 1.121 212 W CA -0.119 57.165 57.345 -0.103 0.000 1.208 212 W CB 1.513 30.968 29.460 -0.008 0.000 1.253 212 W HN 0.960 nan 8.180 nan 0.000 0.533 213 D N 0.447 120.889 120.400 0.070 0.000 3.093 213 D HA -0.068 4.572 4.640 0.001 0.000 0.206 213 D C 1.487 177.727 176.300 -0.100 0.000 1.512 213 D CA 0.541 54.509 54.000 -0.054 0.000 1.420 213 D CB -0.074 40.700 40.800 -0.043 0.000 1.166 213 D HN 0.314 nan 8.370 nan 0.000 0.285 214 E N 0.323 120.490 120.200 -0.056 0.000 2.160 214 E HA -0.061 4.289 4.350 0.001 0.000 0.195 214 E C 2.041 178.537 176.600 -0.173 0.000 0.991 214 E CA 1.296 57.646 56.400 -0.084 0.000 0.810 214 E CB -0.095 29.570 29.700 -0.058 0.000 0.742 214 E HN 0.171 nan 8.360 nan 0.000 0.466 215 S N 0.291 115.863 115.700 -0.213 0.000 2.382 215 S HA -0.119 4.352 4.470 0.001 0.000 0.228 215 S C 1.709 175.835 174.600 -0.790 0.000 1.027 215 S CA 0.663 58.654 58.200 -0.349 0.000 0.991 215 S CB -0.184 62.828 63.200 -0.314 0.000 0.823 215 S HN 0.128 nan 8.310 nan 0.000 0.469 216 L N 1.231 121.815 121.223 -1.065 0.000 2.349 216 L HA -0.033 4.308 4.340 0.001 0.000 0.220 216 L C 2.116 178.655 176.870 -0.551 0.000 1.130 216 L CA 1.430 55.532 54.840 -1.230 0.000 0.791 216 L CB -0.400 41.231 42.059 -0.713 0.000 0.918 216 L HN 0.202 nan 8.230 nan 0.000 0.444 217 R N -1.178 119.114 120.500 -0.347 0.000 2.397 217 R HA 0.190 4.531 4.340 0.001 0.000 0.241 217 R C -0.019 176.207 176.300 -0.124 0.000 0.914 217 R CA -0.070 55.923 56.100 -0.179 0.000 1.071 217 R CB 0.345 30.570 30.300 -0.126 0.000 1.116 217 R HN 0.291 nan 8.270 nan 0.000 0.524 218 E N 2.577 122.695 120.200 -0.135 0.000 2.109 218 E HA 0.204 4.555 4.350 0.001 0.000 0.278 218 E C -2.230 174.356 176.600 -0.023 0.000 0.954 218 E CA -2.293 54.065 56.400 -0.071 0.000 0.779 218 E CB 1.480 31.135 29.700 -0.075 0.000 1.093 218 E HN -0.041 nan 8.360 nan 0.000 0.401 219 P HA -0.039 nan 4.420 nan 0.000 0.271 219 P C -0.117 177.189 177.300 0.011 0.000 1.244 219 P CA 0.160 63.265 63.100 0.008 0.000 0.793 219 P CB 0.455 32.154 31.700 -0.002 0.000 0.984 220 D N -3.356 117.051 120.400 0.013 0.000 3.070 220 D HA -0.288 4.353 4.640 0.001 0.000 0.220 220 D C -0.464 175.810 176.300 -0.044 0.000 1.176 220 D CA 0.686 54.676 54.000 -0.016 0.000 0.924 220 D CB -2.574 38.204 40.800 -0.037 0.000 1.124 220 D HN 0.327 nan 8.370 nan 0.000 0.411 221 F N 1.493 121.345 119.950 -0.163 0.000 2.578 221 F HA 0.421 4.949 4.527 0.001 0.000 0.376 221 F C 0.530 176.178 175.800 -0.253 0.000 1.085 221 F CA 0.383 58.227 58.000 -0.260 0.000 1.260 221 F CB 0.467 39.274 39.000 -0.321 0.000 1.095 221 F HN 0.299 nan 8.300 nan 0.000 0.573 222 A N 6.879 129.149 122.820 -0.917 0.000 2.330 222 A HA 0.536 4.857 4.320 0.001 0.000 0.313 222 A C -1.254 175.894 177.584 -0.727 0.000 1.124 222 A CA -0.638 51.079 52.037 -0.534 0.000 0.774 222 A CB 0.142 18.951 19.000 -0.318 0.000 1.198 222 A HN 0.667 nan 8.150 nan 0.000 0.465 223 F N 2.432 122.260 119.950 -0.202 0.000 2.512 223 F HA 0.364 4.892 4.527 0.001 0.000 0.350 223 F C 0.215 175.970 175.800 -0.074 0.000 1.212 223 F CA 0.604 58.563 58.000 -0.068 0.000 1.099 223 F CB 0.503 39.538 39.000 0.058 0.000 1.238 223 F HN 0.195 nan 8.300 nan 0.000 0.600 224 V N 3.541 123.458 119.914 0.005 0.000 2.509 224 V HA 0.487 4.608 4.120 0.001 0.000 0.289 224 V C 0.096 176.220 176.094 0.050 0.000 1.026 224 V CA -1.364 60.946 62.300 0.016 0.000 0.872 224 V CB 1.390 33.182 31.823 -0.053 0.000 1.017 224 V HN 0.810 nan 8.190 nan 0.000 0.436 225 A N 4.530 127.401 122.820 0.084 0.000 2.609 225 A HA 0.313 4.634 4.320 0.001 0.000 0.232 225 A C 0.164 177.803 177.584 0.092 0.000 1.041 225 A CA 0.769 52.864 52.037 0.098 0.000 0.753 225 A CB 0.088 19.135 19.000 0.078 0.000 0.966 225 A HN 0.868 nan 8.150 nan 0.000 0.510 226 E N 0.765 121.032 120.200 0.112 0.000 2.278 226 E HA 0.337 4.688 4.350 0.001 0.000 0.272 226 E C -1.224 175.427 176.600 0.085 0.000 0.890 226 E CA -0.623 55.846 56.400 0.115 0.000 0.770 226 E CB 1.401 31.219 29.700 0.196 0.000 1.212 226 E HN 0.733 nan 8.360 nan 0.000 0.415 227 E N 0.532 120.773 120.200 0.069 0.000 2.502 227 E HA 0.233 4.584 4.350 0.001 0.000 0.261 227 E C 1.091 177.720 176.600 0.049 0.000 0.974 227 E CA 1.841 58.273 56.400 0.053 0.000 0.936 227 E CB 0.438 30.166 29.700 0.047 0.000 0.926 227 E HN 0.759 nan 8.360 nan 0.000 0.459 228 G N 1.565 110.387 108.800 0.036 0.000 2.179 228 G HA2 -0.259 3.702 3.960 0.001 0.000 0.260 228 G HA3 -0.259 3.702 3.960 0.001 0.000 0.260 228 G C -0.014 174.876 174.900 -0.015 0.000 0.977 228 G CA 0.186 45.302 45.100 0.027 0.000 0.641 228 G HN 0.422 nan 8.290 nan 0.000 0.533 229 V N 0.377 120.268 119.914 -0.039 0.000 2.334 229 V HA 0.652 4.773 4.120 0.001 0.000 0.281 229 V C 0.956 177.016 176.094 -0.056 0.000 1.016 229 V CA -0.481 61.732 62.300 -0.145 0.000 0.832 229 V CB 1.445 33.145 31.823 -0.205 0.000 0.999 229 V HN 0.193 nan 8.190 nan 0.000 0.439 230 R N 2.478 122.951 120.500 -0.045 0.000 2.437 230 R HA 0.696 5.037 4.340 0.001 0.000 0.257 230 R C 0.159 176.478 176.300 0.032 0.000 0.927 230 R CA 0.560 56.681 56.100 0.034 0.000 1.078 230 R CB 1.157 31.514 30.300 0.095 0.000 1.161 230 R HN 0.845 nan 8.270 nan 0.000 0.529 231 A N -0.870 121.903 122.820 -0.078 0.000 2.586 231 A HA 0.588 4.909 4.320 0.001 0.000 0.291 231 A C -1.508 175.930 177.584 -0.242 0.000 1.062 231 A CA -0.509 51.432 52.037 -0.159 0.000 0.666 231 A CB 0.991 19.810 19.000 -0.301 0.000 1.281 231 A HN 0.041 nan 8.150 nan 0.000 0.421 232 V N -1.328 118.484 119.914 -0.169 0.000 2.823 232 V HA 0.880 5.001 4.120 0.001 0.000 0.312 232 V C -0.682 175.286 176.094 -0.210 0.000 1.072 232 V CA -0.841 61.385 62.300 -0.122 0.000 0.937 232 V CB 1.478 33.372 31.823 0.118 0.000 1.013 232 V HN 0.957 nan 8.190 nan 0.000 0.430 233 V N 5.318 125.104 119.914 -0.214 0.000 2.350 233 V HA 0.483 4.604 4.120 0.001 0.000 0.276 233 V C -0.042 175.987 176.094 -0.110 0.000 1.028 233 V CA -0.173 62.027 62.300 -0.166 0.000 0.860 233 V CB 1.161 32.886 31.823 -0.162 0.000 0.990 233 V HN 0.779 nan 8.190 nan 0.000 0.453 234 I N 5.919 126.434 120.570 -0.092 0.000 2.328 234 I HA 0.383 4.554 4.170 0.001 0.000 0.287 234 I C 0.184 176.228 176.117 -0.122 0.000 1.012 234 I CA -0.354 60.887 61.300 -0.098 0.000 1.195 234 I CB 1.032 38.981 38.000 -0.085 0.000 1.350 234 I HN 0.451 nan 8.210 nan 0.000 0.464 235 K N 7.960 128.271 120.400 -0.149 0.000 2.354 235 K HA 0.294 4.615 4.320 0.001 0.000 0.257 235 K C -1.941 174.482 176.600 -0.296 0.000 1.062 235 K CA -1.527 54.642 56.287 -0.197 0.000 0.971 235 K CB 1.389 33.785 32.500 -0.174 0.000 1.305 235 K HN 0.215 nan 8.250 nan 0.000 0.449 236 P HA -0.158 nan 4.420 nan 0.000 0.216 236 P C 0.951 177.665 177.300 -0.977 0.000 1.150 236 P CA 1.217 63.871 63.100 -0.742 0.000 0.837 236 P CB 0.292 31.357 31.700 -1.060 0.000 0.786 237 T N -0.631 113.368 114.554 -0.924 0.000 2.881 237 T HA -0.042 4.309 4.350 0.001 0.000 0.270 237 T C 1.425 176.029 174.700 -0.161 0.000 1.068 237 T CA 0.989 62.849 62.100 -0.401 0.000 1.131 237 T CB -0.606 68.189 68.868 -0.121 0.000 0.871 237 T HN 0.115 nan 8.240 nan 0.000 0.479 238 L N 0.178 121.295 121.223 -0.177 0.000 2.567 238 L HA 0.141 4.482 4.340 0.001 0.000 0.225 238 L C 2.248 179.067 176.870 -0.084 0.000 1.119 238 L CA 0.555 55.343 54.840 -0.086 0.000 0.871 238 L CB -0.108 41.916 42.059 -0.059 0.000 1.036 238 L HN 0.207 nan 8.230 nan 0.000 0.459 239 T N -1.151 113.327 114.554 -0.127 0.000 3.071 239 T HA 0.448 4.798 4.350 0.001 0.000 0.239 239 T C 0.971 175.645 174.700 -0.042 0.000 0.997 239 T CA 0.689 62.733 62.100 -0.094 0.000 1.134 239 T CB 0.896 69.690 68.868 -0.123 0.000 0.928 239 T HN 0.489 nan 8.240 nan 0.000 0.453 240 G N 1.539 110.323 108.800 -0.026 0.000 2.317 240 G HA2 -0.008 3.952 3.960 0.001 0.000 0.196 240 G HA3 -0.008 3.952 3.960 0.001 0.000 0.196 240 G C -0.026 174.955 174.900 0.136 0.000 1.255 240 G CA -0.206 44.931 45.100 0.061 0.000 1.243 240 G HN 0.887 nan 8.290 nan 0.000 0.535 241 S N 0.087 115.847 115.700 0.100 0.000 2.580 241 S HA 0.383 4.854 4.470 0.001 0.000 0.266 241 S C 1.519 176.207 174.600 0.147 0.000 1.354 241 S CA 0.530 58.798 58.200 0.114 0.000 1.008 241 S CB 1.093 64.332 63.200 0.064 0.000 0.898 241 S HN 1.316 nan 8.310 nan 0.000 0.555 242 L N 1.205 122.527 121.223 0.164 0.000 2.056 242 L HA 0.057 4.397 4.340 0.001 0.000 0.207 242 L C 2.506 179.427 176.870 0.086 0.000 1.078 242 L CA 1.833 56.782 54.840 0.181 0.000 0.749 242 L CB -1.577 40.627 42.059 0.242 0.000 0.901 242 L HN 0.780 nan 8.230 nan 0.000 0.433 243 E N -0.659 119.589 120.200 0.081 0.000 2.110 243 E HA -0.206 4.145 4.350 0.001 0.000 0.193 243 E C 2.196 178.797 176.600 0.002 0.000 0.988 243 E CA 0.954 57.377 56.400 0.039 0.000 0.804 243 E CB -0.212 29.525 29.700 0.061 0.000 0.745 243 E HN 0.336 nan 8.360 nan 0.000 0.458 244 K N 0.345 120.756 120.400 0.019 0.000 2.057 244 K HA -0.079 4.242 4.320 0.001 0.000 0.206 244 K C 1.922 178.507 176.600 -0.024 0.000 1.050 244 K CA 0.926 57.217 56.287 0.006 0.000 0.935 244 K CB 0.034 32.549 32.500 0.024 0.000 0.715 244 K HN -0.014 nan 8.250 nan 0.000 0.439 245 V N 1.502 121.401 119.914 -0.025 0.000 2.287 245 V HA -0.292 3.829 4.120 0.001 0.000 0.248 245 V C 2.502 178.514 176.094 -0.137 0.000 1.053 245 V CA 2.269 64.529 62.300 -0.067 0.000 1.027 245 V CB -0.602 31.199 31.823 -0.036 0.000 0.646 245 V HN 0.414 nan 8.190 nan 0.000 0.447 246 R N 0.445 120.845 120.500 -0.166 0.000 2.080 246 R HA -0.210 4.131 4.340 0.001 0.000 0.236 246 R C 2.195 178.367 176.300 -0.213 0.000 1.137 246 R CA 2.208 58.155 56.100 -0.254 0.000 0.943 246 R CB -0.460 29.676 30.300 -0.272 0.000 0.846 246 R HN 0.620 nan 8.270 nan 0.000 0.431 247 E N 0.162 120.273 120.200 -0.147 0.000 2.033 247 E HA -0.294 4.057 4.350 0.001 0.000 0.199 247 E C 2.251 178.712 176.600 -0.232 0.000 1.011 247 E CA 2.013 58.327 56.400 -0.143 0.000 0.815 247 E CB -0.156 29.502 29.700 -0.070 0.000 0.755 247 E HN 0.510 nan 8.360 nan 0.000 0.451 248 Q N 0.248 119.933 119.800 -0.192 0.000 2.077 248 Q HA -0.197 4.144 4.340 0.001 0.000 0.206 248 Q C 2.434 178.172 176.000 -0.436 0.000 0.989 248 Q CA 1.730 57.370 55.803 -0.271 0.000 0.853 248 Q CB -0.267 28.474 28.738 0.005 0.000 0.907 248 Q HN 0.166 nan 8.270 nan 0.000 0.418 249 V N 1.268 120.977 119.914 -0.341 0.000 2.214 249 V HA -0.363 3.758 4.120 0.001 0.000 0.247 249 V C 2.264 178.031 176.094 -0.545 0.000 1.051 249 V CA 2.294 64.312 62.300 -0.470 0.000 1.003 249 V CB -0.856 30.705 31.823 -0.437 0.000 0.635 249 V HN 0.439 nan 8.190 nan 0.000 0.447 250 Q N -0.532 119.037 119.800 -0.384 0.000 2.197 250 Q HA -0.311 4.030 4.340 0.001 0.000 0.211 250 Q C 2.317 178.161 176.000 -0.260 0.000 0.993 250 Q CA 2.058 57.710 55.803 -0.251 0.000 0.883 250 Q CB -0.460 28.170 28.738 -0.180 0.000 0.916 250 Q HN 0.734 nan 8.270 nan 0.000 0.418 251 A N 0.705 123.266 122.820 -0.433 0.000 1.898 251 A HA -0.066 4.255 4.320 0.001 0.000 0.216 251 A C 2.279 179.609 177.584 -0.424 0.000 1.181 251 A CA 1.465 53.179 52.037 -0.538 0.000 0.620 251 A CB -0.733 17.611 19.000 -1.093 0.000 0.819 251 A HN 0.415 nan 8.150 nan 0.000 0.442 252 A N -0.619 121.923 122.820 -0.462 0.000 1.877 252 A HA -0.193 4.128 4.320 0.001 0.000 0.216 252 A C 1.949 179.557 177.584 0.041 0.000 1.186 252 A CA 1.698 53.680 52.037 -0.092 0.000 0.620 252 A CB -1.109 17.860 19.000 -0.051 0.000 0.822 252 A HN 0.751 nan 8.150 nan 0.000 0.443 253 H N -0.807 118.218 119.070 -0.075 0.000 2.353 253 H HA -0.049 4.508 4.556 0.001 0.000 0.300 253 H C 2.476 177.783 175.328 -0.035 0.000 1.090 253 H CA 0.670 56.689 56.048 -0.047 0.000 1.327 253 H CB 0.004 29.729 29.762 -0.063 0.000 1.383 253 H HN 0.569 nan 8.280 nan 0.000 0.508 254 A N 1.010 123.874 122.820 0.072 0.000 1.978 254 A HA -0.119 4.201 4.320 0.001 0.000 0.220 254 A C 2.089 179.698 177.584 0.042 0.000 1.170 254 A CA 1.083 53.139 52.037 0.031 0.000 0.636 254 A CB -0.498 18.496 19.000 -0.010 0.000 0.810 254 A HN 0.321 nan 8.150 nan 0.000 0.448 255 L N -1.121 120.139 121.223 0.061 0.000 2.612 255 L HA 0.206 4.547 4.340 0.001 0.000 0.230 255 L C 1.602 178.521 176.870 0.081 0.000 1.140 255 L CA 0.396 55.285 54.840 0.082 0.000 0.896 255 L CB -0.410 41.726 42.059 0.128 0.000 1.065 255 L HN 0.551 nan 8.230 nan 0.000 0.447 256 G N 0.821 109.666 108.800 0.076 0.000 2.153 256 G HA2 -0.290 3.671 3.960 0.001 0.000 0.252 256 G HA3 -0.290 3.671 3.960 0.001 0.000 0.252 256 G C 0.182 175.131 174.900 0.081 0.000 0.994 256 G CA 0.019 45.156 45.100 0.062 0.000 0.698 256 G HN 0.284 nan 8.290 nan 0.000 0.521 257 L N 0.952 122.245 121.223 0.118 0.000 2.350 257 L HA 0.425 4.766 4.340 0.001 0.000 0.275 257 L C 0.954 177.921 176.870 0.161 0.000 1.099 257 L CA -0.686 54.228 54.840 0.123 0.000 0.808 257 L CB 1.167 43.310 42.059 0.141 0.000 1.149 257 L HN 0.053 nan 8.230 nan 0.000 0.442 258 T N 2.568 117.196 114.554 0.124 0.000 2.817 258 T HA 0.279 4.630 4.350 0.001 0.000 0.295 258 T C 0.281 175.043 174.700 0.104 0.000 0.958 258 T CA -0.349 61.836 62.100 0.142 0.000 1.157 258 T CB 0.631 69.584 68.868 0.142 0.000 0.898 258 T HN 0.653 nan 8.240 nan 0.000 0.536 259 A N 4.240 127.146 122.820 0.144 0.000 2.260 259 A HA 0.573 4.894 4.320 0.001 0.000 0.312 259 A C -0.084 177.519 177.584 0.032 0.000 1.321 259 A CA -0.624 51.418 52.037 0.009 0.000 0.928 259 A CB 0.413 19.303 19.000 -0.183 0.000 1.158 259 A HN 0.681 nan 8.150 nan 0.000 0.542 260 V N 5.253 125.163 119.914 -0.007 0.000 2.333 260 V HA 0.201 4.322 4.120 0.001 0.000 0.274 260 V C -0.074 176.018 176.094 -0.004 0.000 1.028 260 V CA -0.544 61.776 62.300 0.032 0.000 0.851 260 V CB 1.039 32.916 31.823 0.090 0.000 1.000 260 V HN 0.693 nan 8.190 nan 0.000 0.456 261 I N 4.205 124.781 120.570 0.009 0.000 2.396 261 I HA 0.321 4.492 4.170 0.001 0.000 0.289 261 I C 0.539 176.657 176.117 0.002 0.000 1.056 261 I CA 0.871 62.165 61.300 -0.009 0.000 1.365 261 I CB 0.996 39.003 38.000 0.011 0.000 1.407 261 I HN 0.609 nan 8.210 nan 0.000 0.509 262 S N 4.224 119.904 115.700 -0.034 0.000 2.570 262 S HA 0.413 4.883 4.470 0.001 0.000 0.286 262 S C -0.256 174.303 174.600 -0.068 0.000 1.099 262 S CA -0.420 57.759 58.200 -0.036 0.000 0.913 262 S CB 1.809 64.987 63.200 -0.038 0.000 1.085 262 S HN 0.687 nan 8.310 nan 0.000 0.480 263 S N 1.546 117.206 115.700 -0.068 0.000 2.572 263 S HA 0.272 4.743 4.470 0.001 0.000 0.279 263 S C 0.235 174.752 174.600 -0.139 0.000 1.341 263 S CA -0.232 57.917 58.200 -0.086 0.000 1.043 263 S CB 0.446 63.590 63.200 -0.093 0.000 0.887 263 S HN 0.611 nan 8.310 nan 0.000 0.516 264 S N 3.837 119.454 115.700 -0.137 0.000 2.581 264 S HA 0.351 4.822 4.470 0.001 0.000 0.245 264 S C 0.237 174.743 174.600 -0.157 0.000 1.115 264 S CA -0.457 57.623 58.200 -0.201 0.000 1.093 264 S CB -0.787 62.303 63.200 -0.183 0.000 0.853 264 S HN 0.774 nan 8.310 nan 0.000 0.479 265 I N 0.632 121.128 120.570 -0.124 0.000 6.214 265 I HA -0.252 3.918 4.170 0.001 0.000 0.126 265 I C -0.134 175.982 176.117 -0.002 0.000 1.821 265 I CA 0.150 61.403 61.300 -0.079 0.000 2.045 265 I CB -1.626 36.315 38.000 -0.098 0.000 3.452 265 I HN 0.293 nan 8.210 nan 0.000 0.172 266 E N 1.404 121.625 120.200 0.036 0.000 2.392 266 E HA 0.385 4.736 4.350 0.001 0.000 0.256 266 E C 0.838 177.493 176.600 0.093 0.000 1.145 266 E CA 0.310 56.790 56.400 0.133 0.000 0.929 266 E CB 0.542 30.350 29.700 0.179 0.000 0.998 266 E HN 0.459 nan 8.360 nan 0.000 0.442 267 S N 0.172 115.943 115.700 0.119 0.000 2.617 267 S HA -0.014 4.457 4.470 0.001 0.000 0.255 267 S C 1.301 175.900 174.600 -0.003 0.000 1.318 267 S CA 0.047 58.225 58.200 -0.037 0.000 0.978 267 S CB 0.788 63.820 63.200 -0.281 0.000 0.961 267 S HN 0.573 nan 8.310 nan 0.000 0.582 268 S N 0.559 116.233 115.700 -0.043 0.000 2.383 268 S HA -0.169 4.302 4.470 0.001 0.000 0.229 268 S C 1.850 176.473 174.600 0.039 0.000 1.030 268 S CA 1.145 59.359 58.200 0.023 0.000 1.002 268 S CB -1.124 62.080 63.200 0.007 0.000 0.829 268 S HN 0.725 nan 8.310 nan 0.000 0.467 269 L N 1.977 123.161 121.223 -0.066 0.000 1.970 269 L HA 0.016 4.357 4.340 0.001 0.000 0.212 269 L C 2.628 179.497 176.870 -0.001 0.000 1.071 269 L CA 2.034 56.785 54.840 -0.149 0.000 0.751 269 L CB -1.105 40.687 42.059 -0.445 0.000 0.889 269 L HN 0.442 nan 8.230 nan 0.000 0.432 270 G N -0.757 108.103 108.800 0.100 0.000 2.421 270 G HA2 -0.157 3.804 3.960 0.001 0.000 0.217 270 G HA3 -0.157 3.804 3.960 0.001 0.000 0.217 270 G C 1.559 176.582 174.900 0.205 0.000 1.143 270 G CA 0.693 45.904 45.100 0.184 0.000 0.784 270 G HN 0.373 nan 8.290 nan 0.000 0.541 271 L N 1.239 122.569 121.223 0.177 0.000 2.046 271 L HA -0.117 4.223 4.340 0.001 0.000 0.208 271 L C 3.389 180.476 176.870 0.362 0.000 1.077 271 L CA 1.922 56.885 54.840 0.205 0.000 0.747 271 L CB -0.910 41.207 42.059 0.097 0.000 0.896 271 L HN 0.451 nan 8.230 nan 0.000 0.432 272 T N -3.550 111.216 114.554 0.353 0.000 2.867 272 T HA -0.226 4.125 4.350 0.001 0.000 0.268 272 T C 1.737 176.540 174.700 0.171 0.000 1.057 272 T CA 1.014 63.306 62.100 0.319 0.000 1.136 272 T CB -0.233 68.757 68.868 0.203 0.000 0.874 272 T HN 0.359 nan 8.240 nan 0.000 0.466 273 Q N 0.502 120.387 119.800 0.141 0.000 2.172 273 Q HA 0.179 4.519 4.340 0.001 0.000 0.200 273 Q C 2.399 178.501 176.000 0.170 0.000 0.964 273 Q CA 0.961 56.832 55.803 0.113 0.000 0.855 273 Q CB -0.365 28.421 28.738 0.080 0.000 0.918 273 Q HN 0.502 nan 8.270 nan 0.000 0.444 274 L N 0.021 121.377 121.223 0.221 0.000 2.083 274 L HA -0.163 4.178 4.340 0.001 0.000 0.209 274 L C 2.408 179.374 176.870 0.160 0.000 1.083 274 L CA 0.905 55.876 54.840 0.218 0.000 0.752 274 L CB -0.449 41.729 42.059 0.198 0.000 0.899 274 L HN 0.211 nan 8.230 nan 0.000 0.433 275 A N 0.050 122.964 122.820 0.156 0.000 1.969 275 A HA -0.162 4.159 4.320 0.001 0.000 0.218 275 A C 2.347 179.892 177.584 -0.065 0.000 1.169 275 A CA 1.240 53.302 52.037 0.042 0.000 0.635 275 A CB -0.336 18.639 19.000 -0.041 0.000 0.810 275 A HN 0.340 nan 8.150 nan 0.000 0.445 276 R N -0.801 119.687 120.500 -0.020 0.000 2.119 276 R HA 0.172 4.513 4.340 0.001 0.000 0.222 276 R C 1.828 178.210 176.300 0.135 0.000 1.088 276 R CA 1.083 57.181 56.100 -0.003 0.000 0.984 276 R CB -0.317 29.976 30.300 -0.011 0.000 0.884 276 R HN 0.513 nan 8.270 nan 0.000 0.447 277 I N 0.721 121.407 120.570 0.195 0.000 2.252 277 I HA -0.236 3.935 4.170 0.001 0.000 0.245 277 I C 2.541 178.786 176.117 0.213 0.000 1.102 277 I CA 1.149 62.634 61.300 0.307 0.000 1.385 277 I CB -0.291 37.880 38.000 0.286 0.000 1.064 277 I HN 0.179 nan 8.210 nan 0.000 0.414 278 A N 0.717 123.615 122.820 0.129 0.000 1.883 278 A HA -0.211 4.110 4.320 0.001 0.000 0.217 278 A C 2.495 180.132 177.584 0.088 0.000 1.186 278 A CA 1.958 54.045 52.037 0.084 0.000 0.624 278 A CB -0.985 18.056 19.000 0.067 0.000 0.822 278 A HN 0.427 nan 8.150 nan 0.000 0.444 279 A N -2.204 120.661 122.820 0.074 0.000 2.070 279 A HA -0.113 4.208 4.320 0.001 0.000 0.220 279 A C 1.862 179.549 177.584 0.172 0.000 1.159 279 A CA 1.588 53.666 52.037 0.068 0.000 0.656 279 A CB -0.623 18.371 19.000 -0.011 0.000 0.800 279 A HN 0.870 nan 8.150 nan 0.000 0.453 280 W N 0.113 121.408 121.300 -0.007 0.000 2.488 280 W HA 0.091 4.752 4.660 0.001 0.000 0.304 280 W C 1.572 178.104 176.519 0.022 0.000 1.175 280 W CA 1.529 58.877 57.345 0.006 0.000 1.365 280 W CB -0.491 28.974 29.460 0.008 0.000 1.131 280 W HN 0.192 nan 8.180 nan 0.000 0.520 281 L N 0.103 121.280 121.223 -0.076 0.000 2.463 281 L HA 0.172 4.513 4.340 0.001 0.000 0.219 281 L C 1.059 177.911 176.870 -0.031 0.000 1.088 281 L CA 1.344 56.029 54.840 -0.258 0.000 0.849 281 L CB -0.596 41.229 42.059 -0.391 0.000 1.012 281 L HN -0.014 nan 8.230 nan 0.000 0.468 282 T N -4.062 110.518 114.554 0.043 0.000 3.630 282 T HA 0.275 4.626 4.350 0.001 0.000 0.238 282 T C -2.043 172.702 174.700 0.075 0.000 1.195 282 T CA -1.324 60.843 62.100 0.111 0.000 1.433 282 T CB 0.465 69.399 68.868 0.110 0.000 0.940 282 T HN -0.155 nan 8.240 nan 0.000 0.641 283 P HA -0.092 nan 4.420 nan 0.000 0.227 283 P C 0.446 177.762 177.300 0.026 0.000 1.145 283 P CA 1.224 64.351 63.100 0.046 0.000 0.769 283 P CB 0.034 31.762 31.700 0.047 0.000 0.769 284 D N -2.161 118.251 120.400 0.020 0.000 2.324 284 D HA -0.004 4.637 4.640 0.001 0.000 0.212 284 D C 0.222 176.533 176.300 0.018 0.000 0.984 284 D CA 0.564 54.565 54.000 0.001 0.000 0.885 284 D CB -0.820 39.956 40.800 -0.040 0.000 0.996 284 D HN -0.071 nan 8.370 nan 0.000 0.505 285 T N 0.889 115.470 114.554 0.044 0.000 2.772 285 T HA 0.420 4.771 4.350 0.001 0.000 0.288 285 T C 0.143 174.883 174.700 0.067 0.000 0.994 285 T CA -0.604 61.535 62.100 0.064 0.000 0.951 285 T CB 1.332 70.259 68.868 0.099 0.000 0.933 285 T HN 0.037 nan 8.240 nan 0.000 0.447 286 I N 7.131 127.741 120.570 0.065 0.000 2.581 286 I HA 0.129 4.300 4.170 0.001 0.000 0.285 286 I C -1.486 174.683 176.117 0.086 0.000 1.129 286 I CA -1.560 59.783 61.300 0.072 0.000 1.397 286 I CB 0.486 38.525 38.000 0.066 0.000 1.399 286 I HN 0.354 nan 8.210 nan 0.000 0.537 287 P HA 0.072 nan 4.420 nan 0.000 0.272 287 P C 0.122 177.471 177.300 0.081 0.000 1.240 287 P CA -0.395 62.757 63.100 0.087 0.000 0.791 287 P CB 0.644 32.399 31.700 0.092 0.000 0.978 288 G N 1.335 110.173 108.800 0.062 0.000 3.343 288 G HA2 0.400 4.361 3.960 0.001 0.000 0.279 288 G HA3 0.400 4.361 3.960 0.001 0.000 0.279 288 G C 0.300 175.197 174.900 -0.005 0.000 0.919 288 G CA -0.349 44.774 45.100 0.038 0.000 1.812 288 G HN 0.361 nan 8.290 nan 0.000 0.584 289 L N 0.251 121.463 121.223 -0.019 0.000 3.168 289 L HA 0.250 4.590 4.340 0.001 0.000 0.277 289 L C 0.576 177.311 176.870 -0.225 0.000 1.245 289 L CA -0.158 54.625 54.840 -0.095 0.000 1.035 289 L CB 0.816 42.853 42.059 -0.038 0.000 1.399 289 L HN 0.198 nan 8.230 nan 0.000 0.580 290 D N 0.549 120.853 120.400 -0.159 0.000 3.085 290 D HA 0.008 4.649 4.640 0.001 0.000 0.243 290 D C 1.401 177.596 176.300 -0.174 0.000 1.232 290 D CA 0.244 54.126 54.000 -0.197 0.000 0.913 290 D CB 0.364 41.099 40.800 -0.107 0.000 1.108 290 D HN 0.207 nan 8.370 nan 0.000 0.468 291 T N -2.585 111.850 114.554 -0.199 0.000 3.054 291 T HA 0.036 4.386 4.350 0.001 0.000 0.255 291 T C 1.543 176.145 174.700 -0.164 0.000 1.035 291 T CA -0.372 61.636 62.100 -0.153 0.000 0.941 291 T CB 0.062 68.852 68.868 -0.130 0.000 1.026 291 T HN 0.111 nan 8.240 nan 0.000 0.533 292 L N 2.354 123.434 121.223 -0.239 0.000 2.044 292 L HA 0.124 4.465 4.340 0.001 0.000 0.205 292 L C 1.583 178.364 176.870 -0.149 0.000 1.075 292 L CA 1.806 56.511 54.840 -0.225 0.000 0.747 292 L CB -0.726 41.114 42.059 -0.364 0.000 0.903 292 L HN 0.118 nan 8.230 nan 0.000 0.435 293 D N -0.298 120.017 120.400 -0.141 0.000 2.378 293 D HA -0.100 4.541 4.640 0.001 0.000 0.222 293 D C 2.057 178.318 176.300 -0.066 0.000 0.980 293 D CA 0.399 54.345 54.000 -0.090 0.000 0.907 293 D CB 0.087 40.840 40.800 -0.077 0.000 0.899 293 D HN 0.280 nan 8.370 nan 0.000 0.527 294 L N -0.324 120.857 121.223 -0.070 0.000 2.362 294 L HA 0.028 4.369 4.340 0.001 0.000 0.219 294 L C 1.068 177.913 176.870 -0.042 0.000 1.134 294 L CA 0.958 55.768 54.840 -0.050 0.000 0.807 294 L CB -0.673 41.354 42.059 -0.054 0.000 0.927 294 L HN 0.064 nan 8.230 nan 0.000 0.447 295 M N -1.461 118.109 119.600 -0.051 0.000 2.664 295 M HA 0.232 4.713 4.480 0.001 0.000 0.314 295 M C 0.751 177.029 176.300 -0.038 0.000 1.200 295 M CA -0.218 55.057 55.300 -0.041 0.000 0.916 295 M CB 1.985 34.555 32.600 -0.050 0.000 1.717 295 M HN -0.123 nan 8.290 nan 0.000 0.470 296 Q N 0.074 119.856 119.800 -0.029 0.000 2.352 296 Q HA 0.411 4.752 4.340 0.001 0.000 0.212 296 Q C -0.336 175.646 176.000 -0.029 0.000 0.888 296 Q CA -0.067 55.722 55.803 -0.024 0.000 0.934 296 Q CB 1.011 29.741 28.738 -0.014 0.000 1.093 296 Q HN 0.694 nan 8.270 nan 0.000 0.523 297 A N 0.857 123.653 122.820 -0.040 0.000 2.520 297 A HA 0.424 4.745 4.320 0.001 0.000 0.298 297 A C -1.076 176.464 177.584 -0.074 0.000 1.051 297 A CA -0.786 51.221 52.037 -0.051 0.000 0.690 297 A CB 1.336 20.307 19.000 -0.048 0.000 1.281 297 A HN 0.036 nan 8.150 nan 0.000 0.402 298 Q N 0.306 120.063 119.800 -0.071 0.000 2.317 298 Q HA 0.542 4.883 4.340 0.001 0.000 0.229 298 Q C -0.619 175.306 176.000 -0.125 0.000 0.984 298 Q CA -0.227 55.525 55.803 -0.085 0.000 0.911 298 Q CB 1.008 29.713 28.738 -0.054 0.000 1.217 298 Q HN 0.674 nan 8.270 nan 0.000 0.501 299 Q N 0.099 119.801 119.800 -0.163 0.000 2.268 299 Q HA 0.289 4.629 4.340 0.001 0.000 0.266 299 Q C -0.414 175.422 176.000 -0.273 0.000 1.006 299 Q CA -0.194 55.486 55.803 -0.205 0.000 0.824 299 Q CB 1.701 30.275 28.738 -0.273 0.000 1.306 299 Q HN 0.602 nan 8.270 nan 0.000 0.424 300 V N 1.226 120.957 119.914 -0.304 0.000 0.558 300 V HA -0.457 3.664 4.120 0.001 0.000 0.092 300 V C 0.171 176.009 176.094 -0.426 0.000 2.022 300 V CA 2.263 64.282 62.300 -0.468 0.000 3.478 300 V CB -1.001 30.336 31.823 -0.809 0.000 0.770 300 V HN 0.796 nan 8.190 nan 0.000 0.801 301 R N -0.023 120.247 120.500 -0.383 0.000 2.637 301 R HA 0.699 5.040 4.340 0.001 0.000 0.291 301 R C -0.263 175.949 176.300 -0.147 0.000 0.963 301 R CA -0.798 55.142 56.100 -0.265 0.000 0.901 301 R CB 1.822 31.965 30.300 -0.261 0.000 1.160 301 R HN 0.413 nan 8.270 nan 0.000 0.457 302 R N 1.084 121.517 120.500 -0.112 0.000 2.428 302 R HA 0.195 4.536 4.340 0.001 0.000 0.294 302 R C -0.707 175.593 176.300 -0.000 0.000 1.000 302 R CA -0.499 55.571 56.100 -0.051 0.000 0.960 302 R CB 1.159 31.410 30.300 -0.081 0.000 1.076 302 R HN 0.502 nan 8.270 nan 0.000 0.475 303 W N 6.212 127.446 121.300 -0.110 0.000 2.311 303 W HA 0.201 4.861 4.660 0.001 0.000 0.310 303 W C -2.295 174.112 176.519 -0.187 0.000 1.274 303 W CA -2.108 55.169 57.345 -0.114 0.000 1.215 303 W CB 1.094 30.523 29.460 -0.051 0.000 1.227 303 W HN 0.397 nan 8.180 nan 0.000 0.523 304 P HA 0.180 nan 4.420 nan 0.000 0.276 304 P C 0.477 177.611 177.300 -0.277 0.000 1.235 304 P CA 0.874 63.660 63.100 -0.522 0.000 0.772 304 P CB 1.329 32.536 31.700 -0.822 0.000 0.871 305 G N 1.900 110.647 108.800 -0.088 0.000 2.279 305 G HA2 -0.246 3.715 3.960 0.001 0.000 0.223 305 G HA3 -0.246 3.715 3.960 0.001 0.000 0.223 305 G C 0.457 175.411 174.900 0.089 0.000 1.015 305 G CA 0.173 45.287 45.100 0.023 0.000 0.621 305 G HN 0.790 nan 8.290 nan 0.000 0.506 306 S N 1.224 117.021 115.700 0.161 0.000 2.549 306 S HA 0.461 4.932 4.470 0.001 0.000 0.283 306 S C 1.603 176.227 174.600 0.039 0.000 1.320 306 S CA 1.321 59.587 58.200 0.111 0.000 1.058 306 S CB 0.871 64.157 63.200 0.143 0.000 0.882 306 S HN 1.215 nan 8.310 nan 0.000 0.498 307 T N 3.393 117.958 114.554 0.018 0.000 3.092 307 T HA 0.325 4.676 4.350 0.001 0.000 0.258 307 T C 0.599 175.295 174.700 -0.007 0.000 1.031 307 T CA -0.354 61.746 62.100 0.000 0.000 0.925 307 T CB -0.374 68.492 68.868 -0.003 0.000 1.036 307 T HN 0.476 nan 8.240 nan 0.000 0.544 308 L N 2.919 124.138 121.223 -0.007 0.000 2.467 308 L HA 0.317 4.657 4.340 0.001 0.000 0.270 308 L C -1.727 175.130 176.870 -0.022 0.000 1.205 308 L CA -1.999 52.831 54.840 -0.017 0.000 0.828 308 L CB 0.305 42.350 42.059 -0.023 0.000 1.101 308 L HN 0.097 nan 8.230 nan 0.000 0.479 309 P HA 0.109 nan 4.420 nan 0.000 0.275 309 P C -1.094 176.182 177.300 -0.040 0.000 1.228 309 P CA -0.215 62.867 63.100 -0.029 0.000 0.786 309 P CB 1.090 32.776 31.700 -0.023 0.000 0.927 310 V N 3.095 122.981 119.914 -0.046 0.000 2.384 310 V HA 0.191 4.312 4.120 0.001 0.000 0.287 310 V C 0.411 176.465 176.094 -0.066 0.000 1.020 310 V CA -0.839 61.422 62.300 -0.065 0.000 0.850 310 V CB 1.760 33.540 31.823 -0.072 0.000 0.987 310 V HN 0.262 nan 8.190 nan 0.000 0.436 311 V N 3.518 123.385 119.914 -0.078 0.000 2.498 311 V HA 0.375 4.496 4.120 0.001 0.000 0.279 311 V C 0.225 176.263 176.094 -0.094 0.000 1.048 311 V CA -0.323 61.937 62.300 -0.068 0.000 0.967 311 V CB 1.435 33.222 31.823 -0.059 0.000 0.988 311 V HN 0.924 nan 8.190 nan 0.000 0.473 312 E N 2.883 123.038 120.200 -0.074 0.000 2.250 312 E HA 0.366 4.717 4.350 0.001 0.000 0.269 312 E C 0.782 177.328 176.600 -0.090 0.000 1.018 312 E CA -0.462 55.881 56.400 -0.095 0.000 0.873 312 E CB 1.753 31.413 29.700 -0.065 0.000 1.134 312 E HN 0.272 nan 8.360 nan 0.000 0.403 313 V N 2.390 122.228 119.914 -0.126 0.000 2.363 313 V HA -0.321 3.800 4.120 0.001 0.000 0.254 313 V C 1.262 177.341 176.094 -0.025 0.000 1.074 313 V CA 2.374 64.596 62.300 -0.129 0.000 1.069 313 V CB -0.559 31.231 31.823 -0.054 0.000 0.659 313 V HN 0.669 nan 8.190 nan 0.000 0.455 314 D N 0.412 120.823 120.400 0.018 0.000 2.218 314 D HA -0.075 4.566 4.640 0.001 0.000 0.204 314 D C 2.013 178.358 176.300 0.075 0.000 0.976 314 D CA 1.548 55.586 54.000 0.064 0.000 0.853 314 D CB -0.050 40.778 40.800 0.047 0.000 0.939 314 D HN 0.555 nan 8.370 nan 0.000 0.481 315 A N 0.273 123.124 122.820 0.051 0.000 2.218 315 A HA 0.142 4.463 4.320 0.001 0.000 0.209 315 A C 1.090 178.737 177.584 0.104 0.000 1.168 315 A CA -0.142 51.935 52.037 0.066 0.000 0.804 315 A CB -0.099 18.925 19.000 0.039 0.000 0.834 315 A HN 0.108 nan 8.150 nan 0.000 0.482 316 L N 1.071 122.367 121.223 0.122 0.000 2.331 316 L HA 0.188 4.529 4.340 0.001 0.000 0.278 316 L C 0.659 177.725 176.870 0.327 0.000 1.106 316 L CA -0.416 54.550 54.840 0.210 0.000 0.824 316 L CB 0.736 42.874 42.059 0.131 0.000 1.142 316 L HN 0.426 nan 8.230 nan 0.000 0.443 317 E N 4.453 124.837 120.200 0.306 0.000 2.415 317 E HA 0.046 4.396 4.350 0.001 0.000 0.263 317 E C -0.367 176.428 176.600 0.326 0.000 0.995 317 E CA -0.321 56.237 56.400 0.263 0.000 0.915 317 E CB 0.792 30.609 29.700 0.196 0.000 0.951 317 E HN 0.437 nan 8.360 nan 0.000 0.449 318 R N 3.850 124.469 120.500 0.199 0.000 2.668 318 R HA 0.350 4.691 4.340 0.001 0.000 0.279 318 R C 0.369 176.650 176.300 -0.032 0.000 0.976 318 R CA -0.455 55.657 56.100 0.020 0.000 0.978 318 R CB 0.764 31.046 30.300 -0.030 0.000 1.133 318 R HN 0.724 nan 8.270 nan 0.000 0.484 319 L N 2.039 123.196 121.223 -0.110 0.000 2.638 319 L HA 0.342 4.683 4.340 0.001 0.000 0.195 319 L C 0.504 177.322 176.870 -0.087 0.000 1.065 319 L CA -0.114 54.679 54.840 -0.078 0.000 0.859 319 L CB 0.165 42.181 42.059 -0.072 0.000 1.269 319 L HN 0.432 nan 8.230 nan 0.000 0.484 320 L N 0.000 121.148 121.223 -0.125 0.000 2.949 320 L HA 0.000 4.341 4.340 0.001 0.000 0.249 320 L CA 0.000 54.782 54.840 -0.097 0.000 0.813 320 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 320 L HN 0.000 nan 8.230 nan 0.000 0.502