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_C DATA FIRST_RESID 1 DATA SEQUENCE MRSAQVYRWQ IPMDXXXXXX XXXLKTRDGL YVCLREGERE GWGEISPLPG DATA SEQUENCE FSQETWEEAQ SVLLAWVNNW LAGDCELPQM PSVAFGVSCA LAELTDTLPQ DATA SEQUENCE AANYRAAPLC NXXXXXXXXX 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 0.000 176.242 176.300 -0.097 0.000 1.140 1 M CA 0.000 55.245 55.300 -0.092 0.000 0.988 1 M CB 0.000 32.564 32.600 -0.060 0.000 1.302 2 R N 2.301 122.701 120.500 -0.166 0.000 2.540 2 R HA 0.869 5.208 4.340 -0.001 0.000 0.287 2 R C -0.833 175.431 176.300 -0.061 0.000 0.980 2 R CA -0.727 55.255 56.100 -0.196 0.000 0.966 2 R CB 2.084 32.022 30.300 -0.603 0.000 1.106 2 R HN 0.791 nan 8.270 nan 0.000 0.480 3 S N 0.296 116.045 115.700 0.082 0.000 2.556 3 S HA 0.841 5.310 4.470 -0.001 0.000 0.271 3 S C -1.415 173.312 174.600 0.212 0.000 1.135 3 S CA -0.800 57.465 58.200 0.109 0.000 0.858 3 S CB 2.409 65.642 63.200 0.056 0.000 1.114 3 S HN 0.774 nan 8.310 nan 0.000 0.468 4 A N 1.433 124.339 122.820 0.143 0.000 2.547 4 A HA 0.769 5.088 4.320 -0.001 0.000 0.297 4 A C -1.657 175.914 177.584 -0.021 0.000 1.056 4 A CA -0.756 51.329 52.037 0.081 0.000 0.688 4 A CB 1.734 20.834 19.000 0.166 0.000 1.282 4 A HN 0.710 nan 8.150 nan 0.000 0.400 5 Q N 0.234 119.968 119.800 -0.109 0.000 2.312 5 Q HA 0.660 4.999 4.340 -0.001 0.000 0.263 5 Q C -0.723 175.109 176.000 -0.280 0.000 0.995 5 Q CA -0.542 55.119 55.803 -0.237 0.000 0.853 5 Q CB 2.293 30.872 28.738 -0.266 0.000 1.300 5 Q HN 0.509 nan 8.270 nan 0.000 0.448 6 V N 2.925 122.645 119.914 -0.325 0.000 2.513 6 V HA 0.520 4.639 4.120 -0.001 0.000 0.299 6 V C -1.093 174.820 176.094 -0.302 0.000 1.035 6 V CA -0.744 61.453 62.300 -0.172 0.000 0.889 6 V CB 0.836 32.628 31.823 -0.053 0.000 0.988 6 V HN 0.657 nan 8.190 nan 0.000 0.440 7 Y N 2.828 123.269 120.300 0.236 0.000 2.509 7 Y HA 0.748 5.297 4.550 -0.001 0.000 0.341 7 Y C 0.207 176.259 175.900 0.252 0.000 1.038 7 Y CA -0.836 57.452 58.100 0.313 0.000 1.089 7 Y CB 1.876 40.655 38.460 0.532 0.000 1.241 7 Y HN 0.491 nan 8.280 nan 0.000 0.468 8 R N 3.262 123.993 120.500 0.385 0.000 2.621 8 R HA 0.508 4.847 4.340 -0.001 0.000 0.292 8 R C -1.911 174.584 176.300 0.326 0.000 0.969 8 R CA -0.585 55.629 56.100 0.190 0.000 0.887 8 R CB 1.527 31.888 30.300 0.102 0.000 1.180 8 R HN 0.880 nan 8.270 nan 0.000 0.450 9 W N 2.218 123.656 121.300 0.230 0.000 3.066 9 W HA 0.386 5.045 4.660 -0.002 0.000 0.330 9 W C -1.913 174.627 176.519 0.035 0.000 1.253 9 W CA -0.874 56.541 57.345 0.118 0.000 1.187 9 W CB 1.118 30.589 29.460 0.019 0.000 1.434 9 W HN 0.431 nan 8.180 nan 0.000 0.572 10 Q N 2.201 122.224 119.800 0.372 0.000 2.274 10 Q HA 0.504 4.843 4.340 -0.001 0.000 0.268 10 Q C -0.735 175.406 176.000 0.236 0.000 1.015 10 Q CA -0.850 55.058 55.803 0.174 0.000 0.775 10 Q CB 3.126 31.891 28.738 0.046 0.000 1.256 10 Q HN 0.402 nan 8.270 nan 0.000 0.442 11 I N 3.539 124.254 120.570 0.241 0.000 2.321 11 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 11 I C -2.227 173.924 176.117 0.056 0.000 0.998 11 I CA -2.423 58.947 61.300 0.117 0.000 1.227 11 I CB 1.195 39.234 38.000 0.065 0.000 1.368 11 I HN 0.222 nan 8.210 nan 0.000 0.466 12 P HA 0.130 nan 4.420 nan 0.000 0.268 12 P C -0.631 176.671 177.300 0.004 0.000 1.204 12 P CA -0.015 63.094 63.100 0.016 0.000 0.768 12 P CB 0.476 32.185 31.700 0.015 0.000 0.842 13 M N 2.107 121.705 119.600 -0.002 0.000 2.537 13 M HA 0.316 4.795 4.480 -0.001 0.000 0.324 13 M C 0.124 176.418 176.300 -0.009 0.000 1.187 13 M CA -0.030 55.264 55.300 -0.010 0.000 0.993 13 M CB 0.737 33.329 32.600 -0.014 0.000 1.666 13 M HN 0.448 nan 8.290 nan 0.000 0.461 25 K N -1.441 118.951 120.400 -0.013 0.000 2.544 25 K HA 0.245 4.564 4.320 -0.001 0.000 0.213 25 K C 0.243 176.835 176.600 -0.014 0.000 1.392 25 K CA 0.120 56.403 56.287 -0.008 0.000 0.980 25 K CB 1.494 33.994 32.500 -0.000 0.000 1.177 25 K HN 0.546 nan 8.250 nan 0.000 0.570 26 T N 0.070 114.605 114.554 -0.032 0.000 2.887 26 T HA 0.550 4.899 4.350 -0.001 0.000 0.288 26 T C -1.199 173.449 174.700 -0.086 0.000 1.021 26 T CA -0.845 61.227 62.100 -0.047 0.000 1.000 26 T CB 2.322 71.154 68.868 -0.061 0.000 1.034 26 T HN 0.081 nan 8.240 nan 0.000 0.467 27 R N 2.184 122.646 120.500 -0.064 0.000 2.288 27 R HA 0.478 4.818 4.340 -0.001 0.000 0.326 27 R C -1.426 174.747 176.300 -0.210 0.000 0.959 27 R CA -0.439 55.612 56.100 -0.081 0.000 0.834 27 R CB 0.389 30.720 30.300 0.052 0.000 1.157 27 R HN 0.670 nan 8.270 nan 0.000 0.470 28 D N 2.816 122.852 120.400 -0.607 0.000 2.233 28 D HA 0.568 5.207 4.640 -0.001 0.000 0.240 28 D C -0.067 175.295 176.300 -1.564 0.000 1.074 28 D CA -0.015 53.170 54.000 -1.357 0.000 0.838 28 D CB 1.923 41.510 40.800 -2.022 0.000 1.124 28 D HN 0.704 nan 8.370 nan 0.000 0.475 29 G N 0.468 108.091 108.800 -1.962 0.000 2.663 29 G HA2 0.691 4.650 3.960 -0.001 0.000 0.299 29 G HA3 0.691 4.650 3.960 -0.001 0.000 0.299 29 G C -1.472 172.462 174.900 -1.611 0.000 1.372 29 G CA -0.648 43.384 45.100 -1.778 0.000 0.781 29 G HN 0.345 nan 8.290 nan 0.000 0.491 30 L N -1.141 119.649 121.223 -0.721 0.000 2.341 30 L HA 0.678 5.017 4.340 -0.001 0.000 0.254 30 L C -1.376 175.635 176.870 0.234 0.000 1.040 30 L CA -1.068 53.648 54.840 -0.206 0.000 0.837 30 L CB 2.517 44.585 42.059 0.016 0.000 1.425 30 L HN 0.616 nan 8.230 nan 0.000 0.414 31 Y N -0.274 120.359 120.300 0.555 0.000 2.524 31 Y HA 0.616 5.165 4.550 -0.002 0.000 0.347 31 Y C -0.720 175.373 175.900 0.322 0.000 1.005 31 Y CA -1.130 57.291 58.100 0.534 0.000 1.025 31 Y CB 2.785 41.689 38.460 0.739 0.000 1.275 31 Y HN 0.185 nan 8.280 nan 0.000 0.460 32 V N 3.075 123.184 119.914 0.325 0.000 2.495 32 V HA 0.522 4.641 4.120 -0.001 0.000 0.298 32 V C -1.180 174.738 176.094 -0.293 0.000 1.031 32 V CA -0.695 61.620 62.300 0.026 0.000 0.871 32 V CB 1.266 33.063 31.823 -0.043 0.000 0.988 32 V HN 0.916 nan 8.190 nan 0.000 0.432 33 C N 8.281 127.248 119.300 -0.555 0.000 2.281 33 C HA 0.654 5.113 4.460 -0.001 0.000 0.323 33 C C -0.427 174.268 174.990 -0.491 0.000 1.270 33 C CA -0.853 57.551 59.018 -1.023 0.000 1.559 33 C CB -0.779 26.154 27.740 -1.346 0.000 2.239 33 C HN 0.877 nan 8.230 nan 0.000 0.488 34 L N 6.921 127.893 121.223 -0.420 0.000 2.307 34 L HA 0.660 4.999 4.340 -0.001 0.000 0.282 34 L C 0.289 177.125 176.870 -0.057 0.000 1.051 34 L CA -0.350 54.324 54.840 -0.277 0.000 0.804 34 L CB 0.901 42.622 42.059 -0.564 0.000 1.197 34 L HN 0.592 nan 8.230 nan 0.000 0.431 35 R N 2.700 123.298 120.500 0.163 0.000 2.502 35 R HA 0.358 4.697 4.340 -0.001 0.000 0.300 35 R C -1.089 175.369 176.300 0.263 0.000 0.984 35 R CA -0.564 55.634 56.100 0.164 0.000 0.882 35 R CB 2.650 33.006 30.300 0.094 0.000 1.180 35 R HN 0.587 nan 8.270 nan 0.000 0.444 36 E N 2.097 122.424 120.200 0.211 0.000 2.267 36 E HA 0.328 4.678 4.350 -0.001 0.000 0.248 36 E C 0.263 176.911 176.600 0.079 0.000 0.899 36 E CA -0.085 56.405 56.400 0.150 0.000 0.764 36 E CB 1.165 30.990 29.700 0.209 0.000 1.227 36 E HN 0.823 nan 8.360 nan 0.000 0.421 37 G N 4.275 113.101 108.800 0.043 0.000 2.591 37 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.298 37 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.298 37 G C 0.570 175.496 174.900 0.042 0.000 1.195 37 G CA 0.376 45.495 45.100 0.031 0.000 0.989 37 G HN 0.610 nan 8.290 nan 0.000 0.551 38 E N 1.803 122.026 120.200 0.039 0.000 2.502 38 E HA 0.094 4.443 4.350 -0.001 0.000 0.194 38 E C 1.419 178.049 176.600 0.050 0.000 1.062 38 E CA 0.445 56.870 56.400 0.040 0.000 0.867 38 E CB 0.102 29.820 29.700 0.030 0.000 0.888 38 E HN 0.553 nan 8.360 nan 0.000 0.510 39 R N 0.941 121.477 120.500 0.060 0.000 2.428 39 R HA 0.389 4.729 4.340 -0.001 0.000 0.294 39 R C 0.326 176.676 176.300 0.082 0.000 1.000 39 R CA -0.252 55.888 56.100 0.067 0.000 0.960 39 R CB 1.477 31.818 30.300 0.068 0.000 1.076 39 R HN -0.059 nan 8.270 nan 0.000 0.475 40 E N 1.159 121.409 120.200 0.083 0.000 2.256 40 E HA 0.476 4.825 4.350 -0.001 0.000 0.268 40 E C -1.257 175.396 176.600 0.089 0.000 0.877 40 E CA -0.835 55.617 56.400 0.087 0.000 0.757 40 E CB 1.983 31.771 29.700 0.146 0.000 1.183 40 E HN 0.794 nan 8.360 nan 0.000 0.418 41 G N 3.371 112.177 108.800 0.010 0.000 2.617 41 G HA2 0.503 4.462 3.960 -0.001 0.000 0.306 41 G HA3 0.503 4.462 3.960 -0.001 0.000 0.306 41 G C -1.845 173.004 174.900 -0.084 0.000 1.360 41 G CA -0.614 44.496 45.100 0.017 0.000 0.983 41 G HN 0.393 nan 8.290 nan 0.000 0.496 42 W N 0.521 121.774 121.300 -0.078 0.000 2.639 42 W HA 0.737 5.397 4.660 -0.001 0.000 0.347 42 W C 0.405 176.861 176.519 -0.105 0.000 1.067 42 W CA -0.220 57.076 57.345 -0.081 0.000 1.218 42 W CB 2.892 32.283 29.460 -0.115 0.000 1.393 42 W HN 0.819 nan 8.180 nan 0.000 0.557 43 G N 0.932 109.829 108.800 0.162 0.000 2.733 43 G HA2 0.458 4.417 3.960 -0.001 0.000 0.297 43 G HA3 0.458 4.417 3.960 -0.001 0.000 0.297 43 G C -2.102 172.933 174.900 0.225 0.000 1.422 43 G CA -0.816 44.313 45.100 0.048 0.000 0.942 43 G HN 0.358 nan 8.290 nan 0.000 0.510 44 E N 0.492 120.806 120.200 0.189 0.000 2.175 44 E HA 0.547 4.896 4.350 -0.001 0.000 0.278 44 E C -0.939 175.791 176.600 0.218 0.000 0.969 44 E CA -0.724 55.914 56.400 0.396 0.000 0.796 44 E CB 1.231 31.222 29.700 0.486 0.000 1.104 44 E HN 0.212 nan 8.360 nan 0.000 0.395 45 I N 3.667 124.375 120.570 0.230 0.000 2.502 45 I HA 0.196 4.365 4.170 -0.001 0.000 0.276 45 I C -0.956 175.230 176.117 0.114 0.000 1.057 45 I CA -0.077 61.311 61.300 0.147 0.000 1.163 45 I CB 1.600 39.650 38.000 0.084 0.000 1.288 45 I HN 0.268 nan 8.210 nan 0.000 0.479 46 S N 6.698 122.476 115.700 0.130 0.000 2.664 46 S HA 0.474 4.943 4.470 -0.001 0.000 0.262 46 S C -2.566 172.055 174.600 0.035 0.000 1.229 46 S CA -1.134 57.081 58.200 0.025 0.000 1.151 46 S CB 0.881 64.130 63.200 0.083 0.000 1.054 46 S HN 0.193 nan 8.310 nan 0.000 0.483 47 P HA 0.214 nan 4.420 nan 0.000 0.271 47 P C -0.746 176.553 177.300 -0.001 0.000 1.216 47 P CA -0.661 62.460 63.100 0.034 0.000 0.776 47 P CB 0.442 32.178 31.700 0.061 0.000 0.881 48 L N 6.040 127.276 121.223 0.021 0.000 2.265 48 L HA 0.496 4.835 4.340 -0.001 0.000 0.289 48 L C -2.493 174.446 176.870 0.115 0.000 1.033 48 L CA -2.782 52.074 54.840 0.027 0.000 0.814 48 L CB 0.606 42.642 42.059 -0.037 0.000 1.203 48 L HN 0.214 nan 8.230 nan 0.000 0.423 49 P HA 0.222 nan 4.420 nan 0.000 0.262 49 P C 0.664 178.051 177.300 0.145 0.000 1.182 49 P CA 1.051 64.200 63.100 0.082 0.000 0.761 49 P CB 0.675 32.396 31.700 0.035 0.000 0.795 50 G N 1.217 110.038 108.800 0.035 0.000 2.253 50 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.251 50 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.251 50 G C 0.562 175.254 174.900 -0.347 0.000 0.998 50 G CA 0.079 45.093 45.100 -0.145 0.000 0.621 50 G HN 0.459 nan 8.290 nan 0.000 0.524 51 F N 1.273 121.195 119.950 -0.047 0.000 2.537 51 F HA 0.394 4.920 4.527 -0.002 0.000 0.275 51 F C 1.600 177.372 175.800 -0.047 0.000 0.947 51 F CA 0.650 58.618 58.000 -0.054 0.000 1.238 51 F CB -0.142 38.822 39.000 -0.060 0.000 1.071 51 F HN 0.060 nan 8.300 nan 0.000 0.749 52 S N 2.042 117.848 115.700 0.175 0.000 2.481 52 S HA 0.054 4.523 4.470 -0.001 0.000 0.276 52 S C 0.815 175.443 174.600 0.047 0.000 1.247 52 S CA -0.368 57.882 58.200 0.083 0.000 1.053 52 S CB 1.417 64.658 63.200 0.069 0.000 0.925 52 S HN 0.144 nan 8.310 nan 0.000 0.491 53 Q N 2.196 122.011 119.800 0.025 0.000 1.985 53 Q HA -0.166 4.174 4.340 -0.001 0.000 0.207 53 Q C 1.087 177.100 176.000 0.022 0.000 0.996 53 Q CA 1.505 57.315 55.803 0.012 0.000 0.851 53 Q CB -0.191 28.550 28.738 0.005 0.000 0.921 53 Q HN 0.863 nan 8.270 nan 0.000 0.418 54 E N 1.138 121.355 120.200 0.029 0.000 2.415 54 E HA 0.001 4.350 4.350 -0.001 0.000 0.262 54 E C -0.280 176.351 176.600 0.051 0.000 1.038 54 E CA 0.537 56.958 56.400 0.036 0.000 0.921 54 E CB 0.520 30.242 29.700 0.037 0.000 0.950 54 E HN 0.260 nan 8.360 nan 0.000 0.438 55 T N -0.680 113.909 114.554 0.058 0.000 2.912 55 T HA 0.119 4.468 4.350 -0.001 0.000 0.280 55 T C 0.698 175.486 174.700 0.146 0.000 0.989 55 T CA -0.748 61.408 62.100 0.093 0.000 0.995 55 T CB 0.677 69.594 68.868 0.082 0.000 1.077 55 T HN 0.699 nan 8.240 nan 0.000 0.531 56 W N 1.310 122.577 121.300 -0.055 0.000 2.305 56 W HA -0.112 4.548 4.660 -0.000 0.000 0.308 56 W C 1.805 178.278 176.519 -0.078 0.000 1.226 56 W CA 1.744 59.036 57.345 -0.088 0.000 1.253 56 W CB -0.831 28.561 29.460 -0.112 0.000 1.146 56 W HN 0.911 nan 8.180 nan 0.000 0.507 57 E N -0.322 119.855 120.200 -0.037 0.000 2.152 57 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 57 E C 1.964 178.503 176.600 -0.102 0.000 0.983 57 E CA 1.670 57.955 56.400 -0.193 0.000 0.818 57 E CB -0.387 29.222 29.700 -0.152 0.000 0.758 57 E HN 0.375 nan 8.360 nan 0.000 0.467 58 E N 0.587 120.770 120.200 -0.029 0.000 2.047 58 E HA -0.166 4.184 4.350 -0.001 0.000 0.191 58 E C 2.100 178.698 176.600 -0.002 0.000 0.987 58 E CA 1.015 57.409 56.400 -0.010 0.000 0.799 58 E CB -0.192 29.516 29.700 0.013 0.000 0.752 58 E HN 0.269 nan 8.360 nan 0.000 0.449 59 A N 1.281 124.111 122.820 0.018 0.000 1.883 59 A HA -0.332 3.987 4.320 -0.001 0.000 0.217 59 A C 2.161 179.744 177.584 -0.002 0.000 1.186 59 A CA 1.950 54.004 52.037 0.028 0.000 0.624 59 A CB -0.686 18.355 19.000 0.070 0.000 0.822 59 A HN 0.236 nan 8.150 nan 0.000 0.444 60 Q N -0.501 119.262 119.800 -0.061 0.000 2.045 60 Q HA -0.215 4.124 4.340 -0.001 0.000 0.206 60 Q C 2.386 178.345 176.000 -0.068 0.000 0.991 60 Q CA 2.366 58.099 55.803 -0.116 0.000 0.851 60 Q CB -0.281 28.291 28.738 -0.276 0.000 0.911 60 Q HN 0.662 nan 8.270 nan 0.000 0.418 61 S N -1.086 114.577 115.700 -0.062 0.000 2.348 61 S HA -0.129 4.340 4.470 -0.001 0.000 0.221 61 S C 1.891 176.499 174.600 0.013 0.000 1.033 61 S CA 1.452 59.634 58.200 -0.030 0.000 1.010 61 S CB -0.338 62.845 63.200 -0.030 0.000 0.891 61 S HN 0.345 nan 8.310 nan 0.000 0.442 62 V N 2.097 122.027 119.914 0.027 0.000 2.626 62 V HA -0.074 4.045 4.120 -0.001 0.000 0.252 62 V C 2.362 178.522 176.094 0.109 0.000 1.067 62 V CA 1.522 63.863 62.300 0.068 0.000 1.081 62 V CB -0.671 31.187 31.823 0.057 0.000 0.686 62 V HN 0.482 nan 8.190 nan 0.000 0.468 63 L N -0.234 121.034 121.223 0.074 0.000 2.005 63 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 63 L C 2.174 179.136 176.870 0.153 0.000 1.072 63 L CA 1.863 56.761 54.840 0.098 0.000 0.744 63 L CB -0.632 41.453 42.059 0.045 0.000 0.895 63 L HN 0.186 nan 8.230 nan 0.000 0.433 64 L N -0.335 120.939 121.223 0.085 0.000 2.046 64 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 64 L C 2.640 179.564 176.870 0.091 0.000 1.077 64 L CA 1.345 56.226 54.840 0.069 0.000 0.747 64 L CB -0.950 41.118 42.059 0.015 0.000 0.896 64 L HN 0.379 nan 8.230 nan 0.000 0.432 65 A N -1.210 121.665 122.820 0.093 0.000 2.015 65 A HA -0.252 4.067 4.320 -0.001 0.000 0.219 65 A C 1.985 179.639 177.584 0.116 0.000 1.163 65 A CA 1.289 53.375 52.037 0.081 0.000 0.646 65 A CB -0.827 18.215 19.000 0.070 0.000 0.806 65 A HN 0.637 nan 8.150 nan 0.000 0.448 66 W N 0.297 121.615 121.300 0.030 0.000 2.444 66 W HA -0.098 4.562 4.660 -0.001 0.000 0.308 66 W C 1.988 178.561 176.519 0.091 0.000 1.183 66 W CA 1.915 59.291 57.345 0.051 0.000 1.340 66 W CB -0.251 29.226 29.460 0.028 0.000 1.138 66 W HN 0.075 nan 8.180 nan 0.000 0.510 67 V N 1.680 121.827 119.914 0.388 0.000 2.252 67 V HA -0.415 3.704 4.120 -0.001 0.000 0.249 67 V C 2.266 178.410 176.094 0.083 0.000 1.056 67 V CA 2.340 64.804 62.300 0.272 0.000 1.022 67 V CB -1.453 30.521 31.823 0.251 0.000 0.641 67 V HN 0.283 nan 8.190 nan 0.000 0.445 68 N N 0.862 119.587 118.700 0.040 0.000 2.073 68 N HA -0.243 4.496 4.740 -0.001 0.000 0.199 68 N C 1.614 177.068 175.510 -0.093 0.000 1.023 68 N CA 2.514 55.553 53.050 -0.018 0.000 0.880 68 N CB -0.594 37.886 38.487 -0.013 0.000 1.052 68 N HN 0.681 nan 8.380 nan 0.000 0.449 69 N N -1.510 117.086 118.700 -0.174 0.000 2.270 69 N HA -0.093 4.647 4.740 -0.001 0.000 0.181 69 N C 1.482 176.811 175.510 -0.301 0.000 1.016 69 N CA 0.640 53.549 53.050 -0.234 0.000 0.870 69 N CB -0.139 38.191 38.487 -0.261 0.000 0.979 69 N HN 0.398 nan 8.380 nan 0.000 0.431 70 W N 1.804 122.697 121.300 -0.679 0.000 2.388 70 W HA 0.015 4.674 4.660 -0.001 0.000 0.294 70 W C 1.446 177.780 176.519 -0.308 0.000 1.212 70 W CA 0.783 57.754 57.345 -0.624 0.000 1.271 70 W CB -0.276 28.576 29.460 -1.014 0.000 1.126 70 W HN -0.046 nan 8.180 nan 0.000 0.535 71 L N 0.816 121.907 121.223 -0.219 0.000 2.127 71 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 71 L C 2.484 179.147 176.870 -0.345 0.000 1.089 71 L CA 1.404 56.045 54.840 -0.332 0.000 0.757 71 L CB -1.053 40.945 42.059 -0.101 0.000 0.899 71 L HN 0.151 nan 8.230 nan 0.000 0.434 72 A N -1.105 121.553 122.820 -0.270 0.000 2.238 72 A HA 0.283 4.602 4.320 -0.001 0.000 0.208 72 A C 1.763 179.196 177.584 -0.252 0.000 1.177 72 A CA 0.885 52.789 52.037 -0.221 0.000 0.804 72 A CB -0.236 18.670 19.000 -0.156 0.000 0.823 72 A HN 0.546 nan 8.150 nan 0.000 0.482 73 G N -0.592 107.988 108.800 -0.367 0.000 2.238 73 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 73 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 73 G C 0.022 174.784 174.900 -0.230 0.000 0.996 73 G CA 0.183 45.081 45.100 -0.336 0.000 0.632 73 G HN 0.578 nan 8.290 nan 0.000 0.503 74 D N 1.183 121.466 120.400 -0.194 0.000 2.338 74 D HA 0.430 5.069 4.640 -0.001 0.000 0.255 74 D C 1.733 177.993 176.300 -0.066 0.000 1.237 74 D CA 0.092 54.028 54.000 -0.107 0.000 0.883 74 D CB 0.043 40.775 40.800 -0.113 0.000 1.087 74 D HN 0.556 nan 8.370 nan 0.000 0.485 75 C N 2.561 121.928 119.300 0.112 0.000 2.791 75 C HA 0.302 4.761 4.460 -0.001 0.000 0.270 75 C C 1.030 176.260 174.990 0.399 0.000 1.257 75 C CA -0.915 58.308 59.018 0.341 0.000 1.699 75 C CB -1.462 26.533 27.740 0.425 0.000 1.904 75 C HN 0.624 nan 8.230 nan 0.000 0.603 76 E N 1.710 122.058 120.200 0.247 0.000 2.585 76 E HA 0.141 4.490 4.350 -0.001 0.000 0.252 76 E C -0.407 176.460 176.600 0.445 0.000 0.981 76 E CA 0.047 56.601 56.400 0.257 0.000 0.943 76 E CB 0.397 30.189 29.700 0.154 0.000 0.923 76 E HN 0.598 nan 8.360 nan 0.000 0.486 77 L N 7.062 128.498 121.223 0.355 0.000 2.436 77 L HA 0.289 4.628 4.340 -0.001 0.000 0.265 77 L C -1.810 175.183 176.870 0.204 0.000 1.168 77 L CA -1.759 53.248 54.840 0.279 0.000 0.815 77 L CB 0.435 42.550 42.059 0.093 0.000 1.109 77 L HN 0.546 nan 8.230 nan 0.000 0.462 78 P HA 0.134 nan 4.420 nan 0.000 0.278 78 P C -0.734 176.596 177.300 0.049 0.000 1.266 78 P CA -0.505 62.659 63.100 0.106 0.000 0.807 78 P CB 0.824 32.572 31.700 0.081 0.000 1.094 79 Q N -0.206 119.626 119.800 0.053 0.000 2.354 79 Q HA 0.116 4.455 4.340 -0.001 0.000 0.203 79 Q C 1.027 177.043 176.000 0.027 0.000 0.933 79 Q CA 0.386 56.212 55.803 0.038 0.000 0.901 79 Q CB -0.339 28.423 28.738 0.039 0.000 1.007 79 Q HN 0.533 nan 8.270 nan 0.000 0.495 80 M N 3.942 123.558 119.600 0.027 0.000 2.574 80 M HA -0.002 4.478 4.480 -0.001 0.000 0.349 80 M C -1.670 174.644 176.300 0.023 0.000 1.735 80 M CA -1.153 54.161 55.300 0.024 0.000 1.178 80 M CB 0.718 33.335 32.600 0.027 0.000 2.070 80 M HN -0.172 nan 8.290 nan 0.000 0.460 81 P HA -0.183 nan 4.420 nan 0.000 0.216 81 P C 1.317 178.660 177.300 0.072 0.000 1.153 81 P CA 1.933 65.052 63.100 0.033 0.000 0.858 81 P CB -0.103 31.602 31.700 0.008 0.000 0.789 82 S N -1.055 114.688 115.700 0.072 0.000 2.370 82 S HA -0.153 4.316 4.470 -0.001 0.000 0.226 82 S C 2.003 176.671 174.600 0.115 0.000 1.033 82 S CA 1.832 60.104 58.200 0.120 0.000 1.011 82 S CB -1.788 61.468 63.200 0.093 0.000 0.852 82 S HN -0.018 nan 8.310 nan 0.000 0.457 83 V N 2.723 122.658 119.914 0.035 0.000 2.283 83 V HA 0.005 4.124 4.120 -0.001 0.000 0.243 83 V C 3.160 179.167 176.094 -0.145 0.000 1.039 83 V CA 1.451 63.718 62.300 -0.055 0.000 1.016 83 V CB -1.562 30.220 31.823 -0.069 0.000 0.650 83 V HN 0.651 nan 8.190 nan 0.000 0.449 84 A N -0.553 122.207 122.820 -0.099 0.000 1.986 84 A HA -0.277 4.042 4.320 -0.001 0.000 0.220 84 A C 2.142 179.707 177.584 -0.031 0.000 1.171 84 A CA 2.247 54.214 52.037 -0.117 0.000 0.640 84 A CB -0.740 18.243 19.000 -0.028 0.000 0.811 84 A HN 0.608 nan 8.150 nan 0.000 0.451 85 F N 0.398 120.289 119.950 -0.097 0.000 2.098 85 F HA 0.068 4.594 4.527 -0.002 0.000 0.294 85 F C 2.360 178.126 175.800 -0.056 0.000 1.107 85 F CA 1.361 59.328 58.000 -0.054 0.000 1.234 85 F CB -0.455 38.535 39.000 -0.016 0.000 1.002 85 F HN 0.246 nan 8.300 nan 0.000 0.472 86 G N 0.125 108.712 108.800 -0.355 0.000 2.418 86 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 86 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 86 G C 1.631 176.308 174.900 -0.373 0.000 1.158 86 G CA 1.113 45.966 45.100 -0.412 0.000 0.771 86 G HN 0.338 nan 8.290 nan 0.000 0.545 87 V N 1.934 121.593 119.914 -0.424 0.000 2.343 87 V HA -0.206 3.913 4.120 -0.001 0.000 0.247 87 V C 3.260 179.080 176.094 -0.456 0.000 1.051 87 V CA 2.369 64.286 62.300 -0.637 0.000 1.036 87 V CB -0.436 30.661 31.823 -1.209 0.000 0.654 87 V HN 0.606 nan 8.190 nan 0.000 0.451 88 S N -1.383 114.130 115.700 -0.312 0.000 2.402 88 S HA -0.203 4.266 4.470 -0.001 0.000 0.229 88 S C 1.990 176.518 174.600 -0.120 0.000 1.021 88 S CA 1.466 59.577 58.200 -0.147 0.000 0.974 88 S CB -0.973 62.211 63.200 -0.027 0.000 0.800 88 S HN 0.572 nan 8.310 nan 0.000 0.484 89 C N 2.219 121.392 119.300 -0.213 0.000 2.453 89 C HA 0.228 4.687 4.460 -0.001 0.000 0.277 89 C C 3.351 178.265 174.990 -0.127 0.000 1.262 89 C CA 0.520 59.434 59.018 -0.173 0.000 1.718 89 C CB -1.656 25.907 27.740 -0.295 0.000 2.031 89 C HN 0.742 nan 8.230 nan 0.000 0.480 90 A N 0.286 123.005 122.820 -0.169 0.000 1.940 90 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 90 A C 2.125 179.627 177.584 -0.137 0.000 1.176 90 A CA 1.526 53.472 52.037 -0.151 0.000 0.631 90 A CB -0.588 18.271 19.000 -0.235 0.000 0.814 90 A HN 0.642 nan 8.150 nan 0.000 0.446 91 L N -1.151 119.990 121.223 -0.137 0.000 2.072 91 L HA -0.131 4.208 4.340 -0.001 0.000 0.205 91 L C 3.142 180.009 176.870 -0.005 0.000 1.079 91 L CA 0.906 55.716 54.840 -0.051 0.000 0.752 91 L CB -0.630 41.426 42.059 -0.005 0.000 0.906 91 L HN 0.437 nan 8.230 nan 0.000 0.436 92 A N 0.139 122.949 122.820 -0.017 0.000 1.892 92 A HA -0.253 4.066 4.320 -0.001 0.000 0.218 92 A C 2.153 179.704 177.584 -0.054 0.000 1.188 92 A CA 1.884 53.905 52.037 -0.027 0.000 0.631 92 A CB -0.517 18.466 19.000 -0.028 0.000 0.822 92 A HN 0.458 nan 8.150 nan 0.000 0.447 93 E N -0.364 119.808 120.200 -0.047 0.000 2.077 93 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 93 E C 2.045 178.643 176.600 -0.003 0.000 0.989 93 E CA 0.983 57.366 56.400 -0.028 0.000 0.800 93 E CB -0.317 29.386 29.700 0.006 0.000 0.746 93 E HN 0.607 nan 8.360 nan 0.000 0.452 94 L N 0.903 122.132 121.223 0.009 0.000 2.013 94 L HA -0.179 4.160 4.340 -0.001 0.000 0.212 94 L C 2.617 179.514 176.870 0.045 0.000 1.073 94 L CA 1.910 56.778 54.840 0.046 0.000 0.753 94 L CB -0.681 41.430 42.059 0.087 0.000 0.890 94 L HN 0.326 nan 8.230 nan 0.000 0.432 95 T N -5.046 109.529 114.554 0.034 0.000 3.148 95 T HA -0.023 4.326 4.350 -0.001 0.000 0.253 95 T C 0.640 175.335 174.700 -0.008 0.000 1.134 95 T CA 0.491 62.607 62.100 0.027 0.000 1.051 95 T CB -0.084 68.808 68.868 0.040 0.000 0.959 95 T HN 0.326 nan 8.240 nan 0.000 0.525 96 D N 0.558 120.938 120.400 -0.033 0.000 2.981 96 D HA -0.170 4.469 4.640 -0.001 0.000 0.223 96 D C 1.171 177.400 176.300 -0.118 0.000 1.151 96 D CA 1.297 55.258 54.000 -0.065 0.000 0.827 96 D CB -1.302 39.474 40.800 -0.039 0.000 1.101 96 D HN 0.684 nan 8.370 nan 0.000 0.426 97 T N -3.348 111.119 114.554 -0.145 0.000 3.040 97 T HA 0.132 4.481 4.350 -0.001 0.000 0.252 97 T C 0.725 175.103 174.700 -0.536 0.000 1.064 97 T CA -0.296 61.667 62.100 -0.229 0.000 1.110 97 T CB 0.207 69.016 68.868 -0.099 0.000 0.921 97 T HN 0.167 nan 8.240 nan 0.000 0.480 98 L N 5.162 126.115 121.223 -0.450 0.000 2.369 98 L HA 0.462 4.802 4.340 -0.001 0.000 0.279 98 L C -2.533 174.077 176.870 -0.434 0.000 1.108 98 L CA -2.334 52.167 54.840 -0.566 0.000 0.852 98 L CB 0.423 42.330 42.059 -0.254 0.000 1.169 98 L HN 0.019 nan 8.230 nan 0.000 0.452 99 P HA 0.215 nan 4.420 nan 0.000 0.284 99 P C -0.543 176.642 177.300 -0.192 0.000 1.258 99 P CA -0.459 62.445 63.100 -0.328 0.000 0.824 99 P CB 1.020 32.500 31.700 -0.366 0.000 1.038 100 Q N 0.840 120.561 119.800 -0.133 0.000 2.245 100 Q HA 0.043 4.382 4.340 -0.001 0.000 0.201 100 Q C 0.783 176.733 176.000 -0.084 0.000 0.955 100 Q CA 0.456 56.204 55.803 -0.092 0.000 0.870 100 Q CB -0.547 28.149 28.738 -0.069 0.000 0.945 100 Q HN 0.633 nan 8.270 nan 0.000 0.461 101 A N 1.628 124.399 122.820 -0.082 0.000 2.572 101 A HA 0.244 4.563 4.320 -0.001 0.000 0.256 101 A C 0.045 177.552 177.584 -0.129 0.000 1.041 101 A CA 0.836 52.825 52.037 -0.080 0.000 0.790 101 A CB -0.236 18.733 19.000 -0.052 0.000 0.947 101 A HN 0.257 nan 8.150 nan 0.000 0.518 102 A N 3.449 126.133 122.820 -0.225 0.000 2.386 102 A HA 0.624 4.943 4.320 -0.001 0.000 0.311 102 A C -0.085 177.194 177.584 -0.508 0.000 1.068 102 A CA -0.770 50.990 52.037 -0.463 0.000 0.743 102 A CB 0.805 19.270 19.000 -0.892 0.000 1.258 102 A HN 0.862 nan 8.150 nan 0.000 0.429 103 N N 1.291 119.761 118.700 -0.383 0.000 2.408 103 N HA 0.259 4.998 4.740 -0.001 0.000 0.257 103 N C -0.753 174.550 175.510 -0.344 0.000 1.064 103 N CA 0.036 52.935 53.050 -0.252 0.000 0.952 103 N CB 0.171 38.614 38.487 -0.075 0.000 1.093 103 N HN 0.545 nan 8.380 nan 0.000 0.490 104 Y N 1.738 122.011 120.300 -0.045 0.000 2.458 104 Y HA 0.310 4.859 4.550 -0.002 0.000 0.256 104 Y C 0.538 176.539 175.900 0.168 0.000 1.159 104 Y CA -0.333 57.738 58.100 -0.048 0.000 1.261 104 Y CB 0.178 38.464 38.460 -0.291 0.000 1.119 104 Y HN 0.295 nan 8.280 nan 0.000 0.524 105 R N 1.284 121.916 120.500 0.220 0.000 2.538 105 R HA 0.292 4.632 4.340 -0.001 0.000 0.282 105 R C 0.099 176.527 176.300 0.213 0.000 1.009 105 R CA 0.294 56.504 56.100 0.184 0.000 1.063 105 R CB 0.235 30.601 30.300 0.110 0.000 0.945 105 R HN 0.172 nan 8.270 nan 0.000 0.414 106 A N 2.245 125.177 122.820 0.186 0.000 2.305 106 A HA 0.637 4.957 4.320 -0.001 0.000 0.322 106 A C -0.375 177.259 177.584 0.083 0.000 1.187 106 A CA -0.660 51.462 52.037 0.141 0.000 0.825 106 A CB 1.372 20.445 19.000 0.121 0.000 1.164 106 A HN 0.756 nan 8.150 nan 0.000 0.498 107 A N 4.419 127.275 122.820 0.061 0.000 2.506 107 A HA 0.628 4.947 4.320 -0.001 0.000 0.320 107 A C -2.564 175.029 177.584 0.014 0.000 1.424 107 A CA -1.437 50.620 52.037 0.035 0.000 1.044 107 A CB -0.574 18.444 19.000 0.031 0.000 1.140 107 A HN 0.556 nan 8.150 nan 0.000 0.538 108 P HA 0.135 nan 4.420 nan 0.000 0.271 108 P C -0.338 176.953 177.300 -0.014 0.000 1.216 108 P CA -0.155 62.943 63.100 -0.003 0.000 0.776 108 P CB 0.635 32.338 31.700 0.004 0.000 0.881 109 L N 4.349 125.556 121.223 -0.027 0.000 2.276 109 L HA 0.505 4.844 4.340 -0.001 0.000 0.286 109 L C 0.056 176.914 176.870 -0.020 0.000 1.061 109 L CA -0.083 54.739 54.840 -0.029 0.000 0.807 109 L CB 0.015 42.047 42.059 -0.045 0.000 1.177 109 L HN 0.727 nan 8.230 nan 0.000 0.429 110 C N 2.691 121.984 119.300 -0.011 0.000 3.266 110 C HA 0.647 5.106 4.460 -0.001 0.000 0.369 110 C C -1.050 173.947 174.990 0.012 0.000 1.580 110 C CA -0.994 58.023 59.018 -0.001 0.000 1.165 110 C CB 1.840 29.580 27.740 0.000 0.000 1.835 110 C HN 0.731 nan 8.230 nan 0.000 0.433 128 K N 1.837 122.303 120.400 0.109 0.000 2.253 128 K HA 0.593 4.912 4.320 -0.001 0.000 0.277 128 K C -0.593 176.079 176.600 0.119 0.000 1.053 128 K CA -0.638 55.701 56.287 0.088 0.000 0.892 128 K CB 1.387 33.922 32.500 0.058 0.000 1.102 128 K HN 0.259 nan 8.250 nan 0.000 0.469 129 V N 1.692 121.648 119.914 0.070 0.000 2.711 129 V HA 0.629 4.748 4.120 -0.001 0.000 0.304 129 V C -0.668 175.440 176.094 0.024 0.000 1.097 129 V CA -1.005 61.330 62.300 0.058 0.000 0.906 129 V CB 1.869 33.717 31.823 0.040 0.000 1.015 129 V HN 0.852 nan 8.190 nan 0.000 0.427 130 A N 4.026 126.848 122.820 0.003 0.000 2.486 130 A HA 0.965 5.284 4.320 -0.001 0.000 0.289 130 A C -0.981 176.581 177.584 -0.037 0.000 1.176 130 A CA -0.845 51.186 52.037 -0.010 0.000 0.757 130 A CB 2.198 21.195 19.000 -0.006 0.000 1.337 130 A HN 0.693 nan 8.150 nan 0.000 0.423 131 K N 0.535 120.916 120.400 -0.032 0.000 2.426 131 K HA 0.635 4.954 4.320 -0.001 0.000 0.254 131 K C -1.858 174.725 176.600 -0.028 0.000 0.936 131 K CA -0.362 55.897 56.287 -0.047 0.000 0.801 131 K CB 1.788 34.265 32.500 -0.038 0.000 1.139 131 K HN 0.458 nan 8.250 nan 0.000 0.424 132 V N 4.033 123.931 119.914 -0.026 0.000 2.604 132 V HA 0.367 4.486 4.120 -0.001 0.000 0.305 132 V C -0.618 175.467 176.094 -0.015 0.000 1.043 132 V CA -0.979 61.323 62.300 0.002 0.000 0.888 132 V CB 1.795 33.646 31.823 0.048 0.000 0.995 132 V HN 0.706 nan 8.190 nan 0.000 0.429 133 K N 3.235 123.624 120.400 -0.019 0.000 2.211 133 K HA 0.662 4.981 4.320 -0.001 0.000 0.275 133 K C -0.460 176.112 176.600 -0.048 0.000 1.024 133 K CA -0.375 55.879 56.287 -0.054 0.000 0.887 133 K CB 1.760 34.224 32.500 -0.061 0.000 1.084 133 K HN 0.636 nan 8.250 nan 0.000 0.463 134 V N -1.188 118.652 119.914 -0.123 0.000 3.103 134 V HA 0.781 4.900 4.120 -0.001 0.000 0.318 134 V C 0.733 176.657 176.094 -0.284 0.000 1.114 134 V CA -0.404 61.828 62.300 -0.113 0.000 1.020 134 V CB 1.244 32.977 31.823 -0.150 0.000 1.085 134 V HN 0.926 nan 8.190 nan 0.000 0.446 135 G N 0.319 109.018 108.800 -0.168 0.000 2.221 135 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.265 135 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.265 135 G C -0.029 174.757 174.900 -0.189 0.000 1.041 135 G CA 0.808 45.729 45.100 -0.298 0.000 0.807 135 G HN 0.925 nan 8.290 nan 0.000 0.502 136 L N -1.767 119.369 121.223 -0.145 0.000 2.265 136 L HA 0.441 4.780 4.340 -0.001 0.000 0.195 136 L C 1.791 178.493 176.870 -0.280 0.000 1.083 136 L CA 1.185 55.845 54.840 -0.299 0.000 0.798 136 L CB -0.349 41.429 42.059 -0.470 0.000 0.989 136 L HN 0.326 nan 8.230 nan 0.000 0.472 137 Y N -1.123 119.220 120.300 0.073 0.000 2.861 137 Y HA 0.382 4.931 4.550 -0.002 0.000 0.370 137 Y C 0.481 176.466 175.900 0.143 0.000 1.249 137 Y CA -1.451 56.700 58.100 0.087 0.000 1.306 137 Y CB -0.316 38.183 38.460 0.064 0.000 1.503 137 Y HN -0.184 nan 8.280 nan 0.000 0.750 138 E N 0.303 120.692 120.200 0.315 0.000 2.289 138 E HA 0.276 4.625 4.350 -0.001 0.000 0.278 138 E C 0.654 177.396 176.600 0.236 0.000 1.032 138 E CA 0.150 56.688 56.400 0.230 0.000 0.854 138 E CB 1.525 31.312 29.700 0.144 0.000 1.046 138 E HN 0.712 nan 8.360 nan 0.000 0.409 139 A N 3.813 126.772 122.820 0.233 0.000 1.908 139 A HA -0.168 4.151 4.320 -0.001 0.000 0.218 139 A C 2.168 179.864 177.584 0.187 0.000 1.181 139 A CA 1.329 53.501 52.037 0.226 0.000 0.627 139 A CB -0.547 18.380 19.000 -0.122 0.000 0.818 139 A HN 0.453 nan 8.150 nan 0.000 0.445 140 V N 0.002 119.981 119.914 0.109 0.000 2.317 140 V HA -0.359 3.760 4.120 -0.001 0.000 0.251 140 V C 2.680 178.755 176.094 -0.031 0.000 1.065 140 V CA 2.606 64.953 62.300 0.078 0.000 1.049 140 V CB -0.794 31.049 31.823 0.032 0.000 0.651 140 V HN 0.599 nan 8.190 nan 0.000 0.450 141 R N -0.604 119.905 120.500 0.015 0.000 2.161 141 R HA -0.050 4.290 4.340 -0.001 0.000 0.213 141 R C 1.992 178.351 176.300 0.099 0.000 1.055 141 R CA 1.031 57.133 56.100 0.003 0.000 0.996 141 R CB -0.357 29.959 30.300 0.028 0.000 0.901 141 R HN 0.472 nan 8.270 nan 0.000 0.456 142 D N 0.287 120.826 120.400 0.232 0.000 2.123 142 D HA -0.124 4.516 4.640 -0.001 0.000 0.196 142 D C 1.949 178.448 176.300 0.331 0.000 0.992 142 D CA 1.665 55.898 54.000 0.387 0.000 0.833 142 D CB -0.500 40.709 40.800 0.681 0.000 0.954 142 D HN 0.384 nan 8.370 nan 0.000 0.455 143 G N 0.093 108.962 108.800 0.115 0.000 2.422 143 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.218 143 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.218 143 G C 1.608 176.455 174.900 -0.089 0.000 1.140 143 G CA 0.382 45.309 45.100 -0.288 0.000 0.775 143 G HN 0.220 nan 8.290 nan 0.000 0.545 144 M N -0.017 119.555 119.600 -0.045 0.000 2.349 144 M HA 0.060 4.539 4.480 -0.001 0.000 0.266 144 M C 2.438 178.739 176.300 0.002 0.000 1.076 144 M CA 0.506 55.772 55.300 -0.057 0.000 1.126 144 M CB 0.196 32.696 32.600 -0.167 0.000 1.392 144 M HN 0.083 nan 8.290 nan 0.000 0.440 145 V N -0.796 119.141 119.914 0.038 0.000 2.719 145 V HA -0.124 3.995 4.120 -0.001 0.000 0.252 145 V C 2.162 178.302 176.094 0.077 0.000 1.065 145 V CA 0.976 63.311 62.300 0.059 0.000 1.086 145 V CB -0.102 31.768 31.823 0.079 0.000 0.700 145 V HN 0.233 nan 8.190 nan 0.000 0.467 146 V N 2.155 122.127 119.914 0.097 0.000 2.323 146 V HA -0.188 3.932 4.120 -0.001 0.000 0.244 146 V C 2.524 178.686 176.094 0.113 0.000 1.041 146 V CA 2.095 64.465 62.300 0.117 0.000 1.025 146 V CB -0.709 31.221 31.823 0.177 0.000 0.656 146 V HN 0.843 nan 8.190 nan 0.000 0.451 147 N N 0.734 119.497 118.700 0.104 0.000 2.104 147 N HA -0.188 4.551 4.740 -0.001 0.000 0.190 147 N C 1.748 177.392 175.510 0.223 0.000 1.024 147 N CA 1.681 54.854 53.050 0.206 0.000 0.853 147 N CB -0.843 37.701 38.487 0.096 0.000 1.008 147 N HN 0.321 nan 8.380 nan 0.000 0.424 148 L N 0.323 121.616 121.223 0.117 0.000 2.093 148 L HA 0.059 4.398 4.340 -0.001 0.000 0.208 148 L C 2.473 179.369 176.870 0.042 0.000 1.085 148 L CA 0.827 55.716 54.840 0.082 0.000 0.755 148 L CB -0.993 41.094 42.059 0.048 0.000 0.904 148 L HN 0.181 nan 8.230 nan 0.000 0.435 149 L N -0.663 120.579 121.223 0.032 0.000 1.994 149 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 149 L C 2.608 179.441 176.870 -0.063 0.000 1.071 149 L CA 1.200 56.038 54.840 -0.004 0.000 0.745 149 L CB -0.452 41.613 42.059 0.011 0.000 0.892 149 L HN 0.194 nan 8.230 nan 0.000 0.431 150 L N -0.562 120.613 121.223 -0.081 0.000 2.083 150 L HA -0.232 4.107 4.340 -0.001 0.000 0.209 150 L C 2.579 179.120 176.870 -0.548 0.000 1.083 150 L CA 1.217 55.883 54.840 -0.291 0.000 0.752 150 L CB -0.405 41.516 42.059 -0.231 0.000 0.899 150 L HN 0.312 nan 8.230 nan 0.000 0.433 151 E N 0.301 120.339 120.200 -0.270 0.000 2.023 151 E HA -0.270 4.080 4.350 -0.001 0.000 0.196 151 E C 2.194 178.729 176.600 -0.109 0.000 1.003 151 E CA 1.444 57.784 56.400 -0.100 0.000 0.809 151 E CB -0.110 29.710 29.700 0.201 0.000 0.755 151 E HN 0.431 nan 8.360 nan 0.000 0.449 152 A N 0.427 123.210 122.820 -0.062 0.000 2.070 152 A HA -0.004 4.315 4.320 -0.001 0.000 0.220 152 A C 1.065 178.607 177.584 -0.069 0.000 1.159 152 A CA 0.872 52.882 52.037 -0.045 0.000 0.656 152 A CB -0.234 18.753 19.000 -0.023 0.000 0.800 152 A HN 0.322 nan 8.150 nan 0.000 0.453 153 I N -0.421 120.081 120.570 -0.112 0.000 2.583 153 I HA 0.221 4.390 4.170 -0.001 0.000 0.276 153 I C -2.063 173.955 176.117 -0.166 0.000 1.089 153 I CA -1.738 59.497 61.300 -0.108 0.000 1.103 153 I CB 2.067 40.019 38.000 -0.080 0.000 1.209 153 I HN -0.047 nan 8.210 nan 0.000 0.484 154 P HA -0.145 nan 4.420 nan 0.000 0.222 154 P C 0.605 177.794 177.300 -0.185 0.000 1.147 154 P CA 1.337 64.322 63.100 -0.192 0.000 0.790 154 P CB 0.140 31.768 31.700 -0.119 0.000 0.780 155 D N -1.092 119.231 120.400 -0.128 0.000 2.340 155 D HA 0.012 4.652 4.640 -0.001 0.000 0.220 155 D C 0.757 176.984 176.300 -0.121 0.000 1.039 155 D CA -0.240 53.703 54.000 -0.095 0.000 0.866 155 D CB -0.494 40.296 40.800 -0.017 0.000 0.913 155 D HN 0.143 nan 8.370 nan 0.000 0.523 156 L N 2.008 123.126 121.223 -0.175 0.000 2.349 156 L HA 0.211 4.550 4.340 -0.001 0.000 0.275 156 L C -0.558 176.139 176.870 -0.287 0.000 1.115 156 L CA -0.278 54.484 54.840 -0.130 0.000 0.820 156 L CB 0.616 42.614 42.059 -0.101 0.000 1.135 156 L HN 0.003 nan 8.230 nan 0.000 0.445 157 H N 6.088 125.133 119.070 -0.043 0.000 2.489 157 H HA 0.414 4.970 4.556 -0.001 0.000 0.343 157 H C -0.939 174.352 175.328 -0.061 0.000 1.086 157 H CA -0.766 55.257 56.048 -0.042 0.000 1.198 157 H CB 1.806 31.550 29.762 -0.029 0.000 1.490 157 H HN 0.520 nan 8.280 nan 0.000 0.504 158 L N 3.327 124.563 121.223 0.021 0.000 2.307 158 L HA 0.418 4.757 4.340 -0.001 0.000 0.284 158 L C 0.220 176.982 176.870 -0.179 0.000 1.023 158 L CA -0.652 54.160 54.840 -0.047 0.000 0.810 158 L CB 1.489 43.543 42.059 -0.009 0.000 1.231 158 L HN 0.411 nan 8.230 nan 0.000 0.423 159 R N 4.283 124.614 120.500 -0.282 0.000 2.229 159 R HA 0.604 4.943 4.340 -0.001 0.000 0.328 159 R C -1.138 174.961 176.300 -0.335 0.000 1.009 159 R CA -0.425 55.308 56.100 -0.611 0.000 0.864 159 R CB 1.016 30.951 30.300 -0.608 0.000 1.085 159 R HN 0.462 nan 8.270 nan 0.000 0.453 160 L N 1.964 123.010 121.223 -0.296 0.000 2.329 160 L HA 0.436 4.775 4.340 -0.001 0.000 0.279 160 L C -0.450 176.384 176.870 -0.061 0.000 1.014 160 L CA -0.861 53.916 54.840 -0.106 0.000 0.814 160 L CB 1.778 43.814 42.059 -0.038 0.000 1.257 160 L HN 0.458 nan 8.230 nan 0.000 0.424 161 D N 1.435 121.784 120.400 -0.084 0.000 2.481 161 D HA 0.492 5.131 4.640 -0.001 0.000 0.246 161 D C 0.123 176.280 176.300 -0.238 0.000 1.109 161 D CA -0.310 53.633 54.000 -0.095 0.000 0.845 161 D CB 2.308 43.084 40.800 -0.041 0.000 1.160 161 D HN 0.595 nan 8.370 nan 0.000 0.534 162 A N 3.678 126.278 122.820 -0.366 0.000 2.197 162 A HA 0.102 4.421 4.320 -0.001 0.000 0.210 162 A C 0.737 178.046 177.584 -0.459 0.000 1.180 162 A CA -0.114 51.539 52.037 -0.640 0.000 0.846 162 A CB -0.205 18.113 19.000 -1.136 0.000 0.884 162 A HN 0.752 nan 8.150 nan 0.000 0.487 163 N N 0.362 118.909 118.700 -0.256 0.000 2.705 163 N HA -0.213 4.526 4.740 -0.001 0.000 0.255 163 N C -0.400 174.992 175.510 -0.198 0.000 1.008 163 N CA 0.995 53.955 53.050 -0.150 0.000 0.742 163 N CB -1.025 37.422 38.487 -0.068 0.000 0.906 163 N HN 0.662 nan 8.380 nan 0.000 0.541 164 R N -2.493 117.880 120.500 -0.210 0.000 3.516 164 R HA -0.291 4.049 4.340 -0.001 0.000 0.271 164 R C 1.330 177.513 176.300 -0.196 0.000 1.098 164 R CA 0.722 56.723 56.100 -0.166 0.000 0.732 164 R CB -1.676 28.570 30.300 -0.091 0.000 1.152 164 R HN 0.617 nan 8.270 nan 0.000 0.455 165 A N -0.559 122.046 122.820 -0.359 0.000 2.014 165 A HA -0.071 4.248 4.320 -0.001 0.000 0.218 165 A C 0.361 177.889 177.584 -0.093 0.000 1.163 165 A CA 0.734 52.576 52.037 -0.325 0.000 0.652 165 A CB 0.089 18.741 19.000 -0.579 0.000 0.808 165 A HN 0.375 nan 8.150 nan 0.000 0.449 166 W N -0.244 121.001 121.300 -0.092 0.000 2.520 166 W HA 0.495 5.153 4.660 -0.003 0.000 0.323 166 W C -0.075 176.419 176.519 -0.041 0.000 1.062 166 W CA -1.295 56.006 57.345 -0.073 0.000 1.215 166 W CB 0.209 29.591 29.460 -0.130 0.000 1.340 166 W HN -0.157 nan 8.180 nan 0.000 0.516 167 T N 4.348 119.044 114.554 0.237 0.000 2.856 167 T HA 0.039 4.388 4.350 -0.001 0.000 0.306 167 T C -1.222 173.560 174.700 0.136 0.000 1.062 167 T CA -0.566 61.620 62.100 0.143 0.000 1.083 167 T CB 0.925 69.854 68.868 0.101 0.000 0.984 167 T HN 0.104 nan 8.240 nan 0.000 0.542 168 P HA -0.130 nan 4.420 nan 0.000 0.216 168 P C 1.617 178.973 177.300 0.093 0.000 1.157 168 P CA 0.625 63.804 63.100 0.132 0.000 0.880 168 P CB 0.029 31.795 31.700 0.109 0.000 0.791 169 L N 0.060 121.316 121.223 0.054 0.000 1.989 169 L HA -0.192 4.147 4.340 -0.001 0.000 0.211 169 L C 2.068 178.920 176.870 -0.030 0.000 1.071 169 L CA 2.072 56.925 54.840 0.020 0.000 0.749 169 L CB -1.089 40.983 42.059 0.021 0.000 0.890 169 L HN -0.163 nan 8.230 nan 0.000 0.431 170 K N -0.732 119.629 120.400 -0.066 0.000 2.209 170 K HA -0.106 4.213 4.320 -0.001 0.000 0.204 170 K C 1.954 178.189 176.600 -0.608 0.000 1.048 170 K CA 0.964 57.096 56.287 -0.258 0.000 0.940 170 K CB -0.584 31.816 32.500 -0.167 0.000 0.729 170 K HN 0.606 nan 8.250 nan 0.000 0.451 171 G N 2.104 110.711 108.800 -0.321 0.000 2.480 171 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.216 171 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.216 171 G C 1.442 176.451 174.900 0.182 0.000 1.200 171 G CA 1.167 46.190 45.100 -0.128 0.000 0.782 171 G HN 0.431 nan 8.290 nan 0.000 0.554 172 Q N 0.021 119.900 119.800 0.131 0.000 2.435 172 Q HA 0.107 4.446 4.340 -0.001 0.000 0.207 172 Q C 2.190 178.179 176.000 -0.018 0.000 0.956 172 Q CA 1.257 57.093 55.803 0.055 0.000 0.917 172 Q CB -0.200 28.545 28.738 0.011 0.000 0.997 172 Q HN 0.606 nan 8.270 nan 0.000 0.497 173 Q N -0.416 119.358 119.800 -0.044 0.000 2.083 173 Q HA -0.094 4.245 4.340 -0.001 0.000 0.198 173 Q C 1.691 177.691 176.000 -0.001 0.000 0.969 173 Q CA 1.394 57.178 55.803 -0.031 0.000 0.838 173 Q CB -0.197 28.521 28.738 -0.033 0.000 0.900 173 Q HN 0.552 nan 8.270 nan 0.000 0.436 174 F N 1.254 121.048 119.950 -0.259 0.000 2.134 174 F HA -0.180 4.346 4.527 -0.002 0.000 0.299 174 F C 2.073 177.866 175.800 -0.012 0.000 1.097 174 F CA 1.397 59.276 58.000 -0.202 0.000 1.264 174 F CB -0.240 38.391 39.000 -0.614 0.000 1.001 174 F HN -0.016 nan 8.300 nan 0.000 0.479 175 A N 0.418 123.226 122.820 -0.019 0.000 1.898 175 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 175 A C 2.216 179.662 177.584 -0.231 0.000 1.181 175 A CA 1.657 53.621 52.037 -0.123 0.000 0.620 175 A CB -0.802 18.186 19.000 -0.021 0.000 0.819 175 A HN 0.451 nan 8.150 nan 0.000 0.442 176 K N -1.509 118.756 120.400 -0.224 0.000 2.097 176 K HA -0.235 4.084 4.320 -0.001 0.000 0.214 176 K C 0.953 177.259 176.600 -0.491 0.000 1.052 176 K CA 2.304 58.364 56.287 -0.378 0.000 0.932 176 K CB -0.379 31.823 32.500 -0.496 0.000 0.716 176 K HN 0.697 nan 8.250 nan 0.000 0.455 177 Y N -0.445 119.730 120.300 -0.209 0.000 2.532 177 Y HA 0.137 4.688 4.550 0.001 0.000 0.283 177 Y C -0.253 175.513 175.900 -0.223 0.000 1.181 177 Y CA -0.606 57.380 58.100 -0.189 0.000 1.256 177 Y CB 0.805 39.172 38.460 -0.155 0.000 1.112 177 Y HN -0.246 nan 8.280 nan 0.000 0.521 178 V N 1.140 120.946 119.914 -0.181 0.000 2.370 178 V HA 0.117 4.237 4.120 -0.001 0.000 0.279 178 V C -0.086 175.908 176.094 -0.167 0.000 1.029 178 V CA -1.206 60.998 62.300 -0.159 0.000 0.870 178 V CB 1.114 32.827 31.823 -0.183 0.000 0.984 178 V HN 0.224 nan 8.190 nan 0.000 0.451 179 N N 7.383 125.943 118.700 -0.233 0.000 2.434 179 N HA 0.119 4.858 4.740 -0.001 0.000 0.268 179 N C -1.539 173.807 175.510 -0.274 0.000 1.256 179 N CA -1.440 51.378 53.050 -0.385 0.000 0.914 179 N CB 1.315 39.276 38.487 -0.878 0.000 1.088 179 N HN 0.270 nan 8.380 nan 0.000 0.478 180 P HA -0.154 nan 4.420 nan 0.000 0.217 180 P C 0.417 177.692 177.300 -0.043 0.000 1.151 180 P CA 1.178 64.221 63.100 -0.095 0.000 0.849 180 P CB 0.264 31.909 31.700 -0.092 0.000 0.787 181 D N -1.991 118.370 120.400 -0.066 0.000 2.149 181 D HA -0.177 4.462 4.640 -0.001 0.000 0.198 181 D C 1.588 178.020 176.300 0.220 0.000 0.990 181 D CA 1.205 55.237 54.000 0.053 0.000 0.839 181 D CB -0.694 40.141 40.800 0.058 0.000 0.948 181 D HN 0.260 nan 8.370 nan 0.000 0.460 182 Y N 0.549 120.834 120.300 -0.024 0.000 2.519 182 Y HA 0.156 4.704 4.550 -0.003 0.000 0.287 182 Y C 2.201 178.096 175.900 -0.007 0.000 1.128 182 Y CA -0.096 57.988 58.100 -0.026 0.000 1.282 182 Y CB -0.441 38.003 38.460 -0.027 0.000 1.027 182 Y HN -0.046 nan 8.280 nan 0.000 0.551 183 R N 0.603 121.190 120.500 0.146 0.000 2.081 183 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 183 R C 1.844 178.208 176.300 0.106 0.000 1.131 183 R CA 1.644 57.809 56.100 0.108 0.000 0.960 183 R CB -0.356 29.978 30.300 0.056 0.000 0.856 183 R HN 0.421 nan 8.270 nan 0.000 0.436 184 D N 0.273 120.728 120.400 0.091 0.000 2.347 184 D HA -0.134 4.506 4.640 -0.001 0.000 0.215 184 D C 1.107 177.474 176.300 0.112 0.000 0.976 184 D CA 0.552 54.608 54.000 0.093 0.000 0.884 184 D CB -0.044 40.803 40.800 0.078 0.000 0.915 184 D HN 0.145 nan 8.370 nan 0.000 0.526 185 R N 0.266 120.814 120.500 0.081 0.000 2.328 185 R HA 0.221 4.560 4.340 -0.001 0.000 0.200 185 R C 0.511 176.852 176.300 0.068 0.000 0.983 185 R CA -0.014 56.107 56.100 0.035 0.000 1.062 185 R CB 0.219 30.422 30.300 -0.162 0.000 0.956 185 R HN 0.282 nan 8.270 nan 0.000 0.479 186 I N 1.466 122.092 120.570 0.094 0.000 2.329 186 I HA 0.027 4.197 4.170 -0.001 0.000 0.295 186 I C 1.507 177.660 176.117 0.060 0.000 1.109 186 I CA -0.294 61.051 61.300 0.076 0.000 1.297 186 I CB 1.247 39.326 38.000 0.131 0.000 1.433 186 I HN 0.125 nan 8.210 nan 0.000 0.509 187 A N 7.887 130.702 122.820 -0.009 0.000 1.917 187 A HA -0.127 4.193 4.320 -0.001 0.000 0.219 187 A C 0.630 178.273 177.584 0.098 0.000 1.182 187 A CA 1.726 53.764 52.037 0.001 0.000 0.633 187 A CB -0.247 18.687 19.000 -0.111 0.000 0.819 187 A HN 0.769 nan 8.150 nan 0.000 0.448 188 F N -5.752 114.231 119.950 0.054 0.000 2.769 188 F HA 0.588 5.115 4.527 0.000 0.000 0.313 188 F C -1.377 174.438 175.800 0.024 0.000 1.146 188 F CA -1.445 56.570 58.000 0.026 0.000 0.934 188 F CB 0.812 39.801 39.000 -0.019 0.000 1.283 188 F HN -0.062 nan 8.300 nan 0.000 0.443 189 L N 2.805 124.200 121.223 0.287 0.000 2.295 189 L HA 0.836 5.175 4.340 -0.001 0.000 0.281 189 L C -0.275 176.676 176.870 0.135 0.000 1.018 189 L CA -0.828 54.108 54.840 0.161 0.000 0.841 189 L CB 1.135 43.271 42.059 0.128 0.000 1.218 189 L HN 1.058 nan 8.230 nan 0.000 0.424 190 A N 4.358 127.287 122.820 0.181 0.000 2.404 190 A HA 0.319 4.638 4.320 -0.001 0.000 0.273 190 A C 0.394 177.922 177.584 -0.093 0.000 1.144 190 A CA -0.152 51.904 52.037 0.032 0.000 0.806 190 A CB 0.055 19.106 19.000 0.086 0.000 1.080 190 A HN 0.784 nan 8.150 nan 0.000 0.509 191 E N 1.678 121.822 120.200 -0.093 0.000 2.230 191 E HA -0.175 4.174 4.350 -0.001 0.000 0.206 191 E C -1.875 174.605 176.600 -0.199 0.000 1.309 191 E CA 0.903 57.269 56.400 -0.056 0.000 0.697 191 E CB -1.431 28.256 29.700 -0.022 0.000 1.146 191 E HN 0.673 nan 8.360 nan 0.000 0.363 192 P HA -0.129 nan 4.420 nan 0.000 0.217 192 P C 0.670 177.811 177.300 -0.265 0.000 1.150 192 P CA 0.987 63.823 63.100 -0.440 0.000 0.832 192 P CB 0.340 31.620 31.700 -0.699 0.000 0.787 193 C N -0.618 118.618 119.300 -0.106 0.000 2.562 193 C HA 0.331 4.790 4.460 -0.001 0.000 0.332 193 C C 2.063 177.067 174.990 0.023 0.000 1.201 193 C CA -0.634 58.398 59.018 0.023 0.000 1.803 193 C CB 1.780 29.569 27.740 0.082 0.000 2.328 193 C HN 0.114 nan 8.230 nan 0.000 0.500 194 K N 0.234 120.658 120.400 0.041 0.000 2.211 194 K HA -0.107 4.212 4.320 -0.001 0.000 0.204 194 K C 0.905 177.521 176.600 0.028 0.000 1.047 194 K CA 1.415 57.713 56.287 0.018 0.000 0.935 194 K CB -0.139 32.378 32.500 0.027 0.000 0.728 194 K HN 0.911 nan 8.250 nan 0.000 0.452 195 T N -3.115 111.474 114.554 0.057 0.000 2.924 195 T HA 0.322 4.671 4.350 -0.001 0.000 0.291 195 T C 0.750 175.517 174.700 0.112 0.000 1.045 195 T CA -1.079 61.057 62.100 0.060 0.000 1.015 195 T CB 2.338 71.236 68.868 0.049 0.000 1.103 195 T HN -0.123 nan 8.240 nan 0.000 0.496 196 R N 0.605 121.158 120.500 0.088 0.000 2.081 196 R HA -0.076 4.263 4.340 -0.001 0.000 0.235 196 R C 1.442 177.871 176.300 0.216 0.000 1.131 196 R CA 1.696 57.882 56.100 0.143 0.000 0.960 196 R CB -0.501 29.716 30.300 -0.139 0.000 0.856 196 R HN 0.706 nan 8.270 nan 0.000 0.436 197 D N 0.821 121.292 120.400 0.117 0.000 2.123 197 D HA -0.141 4.499 4.640 -0.001 0.000 0.196 197 D C 1.443 177.835 176.300 0.153 0.000 0.992 197 D CA 1.202 55.275 54.000 0.122 0.000 0.833 197 D CB -0.320 40.522 40.800 0.070 0.000 0.954 197 D HN 0.128 nan 8.370 nan 0.000 0.455 198 D N -0.232 120.256 120.400 0.146 0.000 2.144 198 D HA -0.064 4.575 4.640 -0.001 0.000 0.199 198 D C 2.037 178.471 176.300 0.223 0.000 0.984 198 D CA 0.732 54.830 54.000 0.164 0.000 0.834 198 D CB -0.220 40.661 40.800 0.136 0.000 0.955 198 D HN 0.028 nan 8.370 nan 0.000 0.465 199 S N -0.107 115.736 115.700 0.240 0.000 2.406 199 S HA -0.019 4.451 4.470 -0.001 0.000 0.228 199 S C 1.878 176.648 174.600 0.283 0.000 1.020 199 S CA 0.462 58.808 58.200 0.243 0.000 0.965 199 S CB 0.213 63.538 63.200 0.207 0.000 0.798 199 S HN 0.227 nan 8.310 nan 0.000 0.488 200 R N 1.038 121.712 120.500 0.289 0.000 2.090 200 R HA 0.067 4.406 4.340 -0.001 0.000 0.228 200 R C 2.541 178.952 176.300 0.184 0.000 1.110 200 R CA 1.085 57.324 56.100 0.232 0.000 0.973 200 R CB -0.404 30.049 30.300 0.256 0.000 0.869 200 R HN 0.376 nan 8.270 nan 0.000 0.440 201 A N 0.797 123.729 122.820 0.187 0.000 1.902 201 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 201 A C 1.919 179.599 177.584 0.161 0.000 1.181 201 A CA 1.125 53.251 52.037 0.148 0.000 0.623 201 A CB -0.607 18.478 19.000 0.141 0.000 0.818 201 A HN 0.363 nan 8.150 nan 0.000 0.443 202 F N 0.984 120.983 119.950 0.082 0.000 2.075 202 F HA -0.086 4.439 4.527 -0.002 0.000 0.297 202 F C 2.567 178.411 175.800 0.073 0.000 1.113 202 F CA 1.424 59.475 58.000 0.085 0.000 1.218 202 F CB -0.524 38.546 39.000 0.116 0.000 0.984 202 F HN 0.252 nan 8.300 nan 0.000 0.472 203 A N 1.328 124.268 122.820 0.201 0.000 1.917 203 A HA -0.265 4.054 4.320 -0.001 0.000 0.219 203 A C 2.293 179.861 177.584 -0.026 0.000 1.182 203 A CA 2.301 54.384 52.037 0.076 0.000 0.633 203 A CB -0.912 18.152 19.000 0.106 0.000 0.819 203 A HN 0.647 nan 8.150 nan 0.000 0.448 204 R N -1.066 119.433 120.500 -0.001 0.000 2.062 204 R HA 0.019 4.358 4.340 -0.001 0.000 0.226 204 R C 1.565 177.829 176.300 -0.059 0.000 1.125 204 R CA 1.254 57.345 56.100 -0.015 0.000 0.966 204 R CB -0.521 29.789 30.300 0.016 0.000 0.861 204 R HN 0.384 nan 8.270 nan 0.000 0.433 205 E N 0.973 121.126 120.200 -0.078 0.000 2.274 205 E HA -0.092 4.257 4.350 -0.001 0.000 0.194 205 E C 1.829 178.327 176.600 -0.170 0.000 0.996 205 E CA 1.808 58.150 56.400 -0.097 0.000 0.840 205 E CB 0.143 29.804 29.700 -0.064 0.000 0.772 205 E HN 0.681 nan 8.360 nan 0.000 0.491 206 T N -3.350 111.027 114.554 -0.294 0.000 3.033 206 T HA 0.251 4.600 4.350 -0.001 0.000 0.248 206 T C 1.680 176.264 174.700 -0.194 0.000 1.040 206 T CA 0.800 62.696 62.100 -0.339 0.000 1.133 206 T CB 0.345 68.783 68.868 -0.717 0.000 0.895 206 T HN 0.212 nan 8.240 nan 0.000 0.465 207 G N 1.519 110.228 108.800 -0.152 0.000 2.157 207 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.248 207 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.248 207 G C 0.006 174.893 174.900 -0.021 0.000 0.979 207 G CA 0.020 45.082 45.100 -0.063 0.000 0.650 207 G HN 0.656 nan 8.290 nan 0.000 0.529 208 I N 1.739 122.288 120.570 -0.034 0.000 2.371 208 I HA 0.511 4.681 4.170 -0.001 0.000 0.290 208 I C 1.136 177.334 176.117 0.134 0.000 1.028 208 I CA -0.296 61.058 61.300 0.090 0.000 1.345 208 I CB 1.471 39.591 38.000 0.201 0.000 1.407 208 I HN 0.304 nan 8.210 nan 0.000 0.501 209 A N 8.091 130.991 122.820 0.133 0.000 2.488 209 A HA 0.456 4.775 4.320 -0.001 0.000 0.249 209 A C -0.131 177.538 177.584 0.141 0.000 1.083 209 A CA -0.105 52.003 52.037 0.118 0.000 0.768 209 A CB -0.007 19.067 19.000 0.125 0.000 1.017 209 A HN 0.742 nan 8.150 nan 0.000 0.496 210 I N -0.800 119.793 120.570 0.039 0.000 3.023 210 I HA 0.941 5.110 4.170 -0.001 0.000 0.312 210 I C -0.055 175.907 176.117 -0.259 0.000 1.056 210 I CA -1.055 60.205 61.300 -0.067 0.000 1.033 210 I CB 2.356 40.256 38.000 -0.166 0.000 1.233 210 I HN 0.677 nan 8.210 nan 0.000 0.462 211 A N 2.457 125.060 122.820 -0.361 0.000 2.515 211 A HA 0.698 5.018 4.320 -0.001 0.000 0.296 211 A C -2.075 175.197 177.584 -0.519 0.000 1.094 211 A CA -0.608 51.112 52.037 -0.527 0.000 0.718 211 A CB 0.874 19.453 19.000 -0.700 0.000 1.307 211 A HN 0.819 nan 8.150 nan 0.000 0.408 212 W N 1.193 122.433 121.300 -0.101 0.000 2.361 212 W HA 0.487 5.146 4.660 -0.001 0.000 0.309 212 W C 0.362 176.773 176.519 -0.181 0.000 1.122 212 W CA -0.190 57.095 57.345 -0.099 0.000 1.208 212 W CB 1.439 30.885 29.460 -0.023 0.000 1.246 212 W HN 0.934 nan 8.180 nan 0.000 0.490 213 D N 1.027 121.473 120.400 0.075 0.000 3.061 213 D HA -0.132 4.507 4.640 -0.001 0.000 0.243 213 D C 1.917 178.175 176.300 -0.069 0.000 1.572 213 D CA 0.647 54.628 54.000 -0.031 0.000 1.269 213 D CB 0.116 40.903 40.800 -0.022 0.000 1.023 213 D HN 0.446 nan 8.370 nan 0.000 0.280 214 E N 0.835 121.018 120.200 -0.029 0.000 2.472 214 E HA -0.023 4.326 4.350 -0.001 0.000 0.200 214 E C 1.795 178.310 176.600 -0.142 0.000 1.046 214 E CA 0.402 56.766 56.400 -0.059 0.000 0.871 214 E CB -0.108 29.582 29.700 -0.017 0.000 0.806 214 E HN 0.113 nan 8.360 nan 0.000 0.533 215 S N 1.412 117.004 115.700 -0.180 0.000 2.368 215 S HA -0.066 4.403 4.470 -0.001 0.000 0.224 215 S C 1.917 176.030 174.600 -0.812 0.000 1.029 215 S CA 0.498 58.487 58.200 -0.352 0.000 0.988 215 S CB -0.259 62.754 63.200 -0.311 0.000 0.838 215 S HN 0.105 nan 8.310 nan 0.000 0.462 216 L N 1.430 122.046 121.223 -1.012 0.000 2.349 216 L HA -0.047 4.293 4.340 -0.001 0.000 0.220 216 L C 2.050 178.559 176.870 -0.602 0.000 1.130 216 L CA 1.350 55.448 54.840 -1.237 0.000 0.791 216 L CB -0.367 41.281 42.059 -0.685 0.000 0.918 216 L HN 0.211 nan 8.230 nan 0.000 0.444 217 R N -1.070 119.204 120.500 -0.377 0.000 2.432 217 R HA 0.187 4.527 4.340 -0.001 0.000 0.260 217 R C -0.023 176.192 176.300 -0.141 0.000 0.935 217 R CA -0.113 55.869 56.100 -0.197 0.000 1.080 217 R CB 0.221 30.441 30.300 -0.134 0.000 1.155 217 R HN 0.351 nan 8.270 nan 0.000 0.531 218 E N 2.549 122.651 120.200 -0.164 0.000 2.266 218 E HA 0.203 4.553 4.350 -0.001 0.000 0.277 218 E C -2.247 174.339 176.600 -0.024 0.000 1.018 218 E CA -2.097 54.255 56.400 -0.079 0.000 0.840 218 E CB 1.098 30.757 29.700 -0.068 0.000 1.082 218 E HN -0.056 nan 8.360 nan 0.000 0.395 219 P HA 0.054 nan 4.420 nan 0.000 0.279 219 P C -0.116 177.193 177.300 0.015 0.000 1.252 219 P CA -0.086 63.022 63.100 0.012 0.000 0.811 219 P CB 0.693 32.393 31.700 0.001 0.000 1.035 220 D N -1.341 119.067 120.400 0.014 0.000 3.079 220 D HA -0.222 4.417 4.640 -0.001 0.000 0.214 220 D C -0.654 175.621 176.300 -0.041 0.000 1.145 220 D CA 0.488 54.477 54.000 -0.018 0.000 0.958 220 D CB -1.597 39.183 40.800 -0.033 0.000 1.117 220 D HN 0.350 nan 8.370 nan 0.000 0.416 221 F N 0.848 120.705 119.950 -0.156 0.000 2.456 221 F HA 0.494 5.020 4.527 -0.001 0.000 0.358 221 F C 0.225 175.885 175.800 -0.233 0.000 1.095 221 F CA 0.350 58.203 58.000 -0.245 0.000 1.216 221 F CB 0.783 39.604 39.000 -0.298 0.000 1.125 221 F HN 0.058 nan 8.300 nan 0.000 0.549 222 A N 6.124 128.344 122.820 -1.001 0.000 2.374 222 A HA 0.557 4.877 4.320 -0.001 0.000 0.305 222 A C -1.426 175.669 177.584 -0.815 0.000 1.053 222 A CA -0.635 51.045 52.037 -0.595 0.000 0.726 222 A CB 0.300 19.102 19.000 -0.330 0.000 1.229 222 A HN 0.672 nan 8.150 nan 0.000 0.431 223 F N 2.248 122.037 119.950 -0.268 0.000 2.613 223 F HA 0.358 4.884 4.527 -0.002 0.000 0.341 223 F C 0.562 176.292 175.800 -0.116 0.000 1.288 223 F CA 0.520 58.445 58.000 -0.124 0.000 1.103 223 F CB 0.720 39.727 39.000 0.013 0.000 1.423 223 F HN 0.277 nan 8.300 nan 0.000 0.651 224 V N 3.907 123.786 119.914 -0.059 0.000 2.462 224 V HA 0.728 4.848 4.120 -0.001 0.000 0.288 224 V C 0.030 176.126 176.094 0.004 0.000 1.020 224 V CA -0.850 61.431 62.300 -0.032 0.000 0.857 224 V CB 0.822 32.586 31.823 -0.098 0.000 1.013 224 V HN 0.696 nan 8.190 nan 0.000 0.431 225 A N 5.522 128.377 122.820 0.058 0.000 2.586 225 A HA 0.417 4.736 4.320 -0.001 0.000 0.231 225 A C 0.090 177.726 177.584 0.087 0.000 1.055 225 A CA 0.561 52.651 52.037 0.089 0.000 0.756 225 A CB 0.065 19.111 19.000 0.077 0.000 0.988 225 A HN 0.961 nan 8.150 nan 0.000 0.509 226 E N 0.270 120.544 120.200 0.123 0.000 2.275 226 E HA 0.326 4.675 4.350 -0.001 0.000 0.270 226 E C -0.700 175.961 176.600 0.101 0.000 0.882 226 E CA -0.648 55.830 56.400 0.130 0.000 0.758 226 E CB 1.553 31.390 29.700 0.228 0.000 1.195 226 E HN 0.765 nan 8.360 nan 0.000 0.419 227 E N 1.511 121.759 120.200 0.080 0.000 2.608 227 E HA 0.039 4.388 4.350 -0.001 0.000 0.259 227 E C 0.602 177.239 176.600 0.061 0.000 0.951 227 E CA 1.261 57.699 56.400 0.063 0.000 0.945 227 E CB 0.130 29.862 29.700 0.054 0.000 0.916 227 E HN 0.778 nan 8.360 nan 0.000 0.477 228 G N 2.791 111.618 108.800 0.045 0.000 2.155 228 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.257 228 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.257 228 G C -0.081 174.818 174.900 -0.002 0.000 0.983 228 G CA 0.205 45.325 45.100 0.033 0.000 0.676 228 G HN 0.487 nan 8.290 nan 0.000 0.528 229 V N 1.238 121.149 119.914 -0.006 0.000 2.334 229 V HA 0.497 4.616 4.120 -0.001 0.000 0.281 229 V C 1.036 177.115 176.094 -0.025 0.000 1.016 229 V CA -0.772 61.476 62.300 -0.086 0.000 0.832 229 V CB 1.413 33.188 31.823 -0.078 0.000 0.999 229 V HN 0.275 nan 8.190 nan 0.000 0.439 230 R N 2.712 123.194 120.500 -0.030 0.000 2.365 230 R HA 0.641 4.980 4.340 -0.001 0.000 0.223 230 R C 0.275 176.582 176.300 0.012 0.000 0.899 230 R CA 0.475 56.594 56.100 0.030 0.000 1.059 230 R CB 1.281 31.632 30.300 0.085 0.000 1.086 230 R HN 0.712 nan 8.270 nan 0.000 0.522 231 A N 0.264 123.026 122.820 -0.097 0.000 2.566 231 A HA 0.526 4.845 4.320 -0.001 0.000 0.290 231 A C -1.268 176.155 177.584 -0.269 0.000 1.071 231 A CA -0.612 51.312 52.037 -0.188 0.000 0.658 231 A CB 1.151 19.949 19.000 -0.337 0.000 1.285 231 A HN -0.045 nan 8.150 nan 0.000 0.427 232 V N -1.599 118.191 119.914 -0.206 0.000 2.876 232 V HA 0.874 4.993 4.120 -0.001 0.000 0.312 232 V C -0.714 175.249 176.094 -0.218 0.000 1.085 232 V CA -0.847 61.367 62.300 -0.143 0.000 0.945 232 V CB 1.452 33.337 31.823 0.104 0.000 1.017 232 V HN 1.018 nan 8.190 nan 0.000 0.428 233 V N 5.134 124.926 119.914 -0.204 0.000 2.370 233 V HA 0.493 4.612 4.120 -0.001 0.000 0.279 233 V C -0.053 175.981 176.094 -0.100 0.000 1.029 233 V CA -0.165 62.047 62.300 -0.147 0.000 0.870 233 V CB 1.151 32.900 31.823 -0.122 0.000 0.984 233 V HN 0.778 nan 8.190 nan 0.000 0.451 234 I N 5.830 126.348 120.570 -0.086 0.000 2.359 234 I HA 0.374 4.543 4.170 -0.001 0.000 0.284 234 I C 0.201 176.245 176.117 -0.121 0.000 1.018 234 I CA -0.325 60.919 61.300 -0.094 0.000 1.173 234 I CB 1.031 38.983 38.000 -0.080 0.000 1.326 234 I HN 0.457 nan 8.210 nan 0.000 0.462 235 K N 7.941 128.251 120.400 -0.150 0.000 2.299 235 K HA 0.292 4.611 4.320 -0.001 0.000 0.268 235 K C -1.935 174.493 176.600 -0.287 0.000 1.075 235 K CA -1.520 54.651 56.287 -0.195 0.000 0.936 235 K CB 1.393 33.785 32.500 -0.181 0.000 1.228 235 K HN 0.215 nan 8.250 nan 0.000 0.454 236 P HA -0.121 nan 4.420 nan 0.000 0.220 236 P C 0.876 177.579 177.300 -0.996 0.000 1.148 236 P CA 1.080 63.730 63.100 -0.750 0.000 0.803 236 P CB 0.309 31.372 31.700 -1.061 0.000 0.782 237 T N -0.405 113.667 114.554 -0.803 0.000 2.867 237 T HA -0.043 4.307 4.350 -0.001 0.000 0.268 237 T C 1.478 176.089 174.700 -0.147 0.000 1.057 237 T CA 1.040 62.940 62.100 -0.333 0.000 1.136 237 T CB -0.638 68.187 68.868 -0.072 0.000 0.874 237 T HN 0.122 nan 8.240 nan 0.000 0.466 238 L N 0.362 121.483 121.223 -0.170 0.000 2.567 238 L HA 0.122 4.461 4.340 -0.001 0.000 0.225 238 L C 2.310 179.125 176.870 -0.092 0.000 1.119 238 L CA 0.600 55.386 54.840 -0.089 0.000 0.871 238 L CB -0.255 41.763 42.059 -0.069 0.000 1.036 238 L HN 0.228 nan 8.230 nan 0.000 0.459 239 T N -1.081 113.389 114.554 -0.140 0.000 3.045 239 T HA 0.427 4.776 4.350 -0.001 0.000 0.239 239 T C 0.976 175.641 174.700 -0.058 0.000 1.008 239 T CA 0.724 62.760 62.100 -0.107 0.000 1.143 239 T CB 0.781 69.567 68.868 -0.135 0.000 0.894 239 T HN 0.508 nan 8.240 nan 0.000 0.451 240 G N 1.434 110.202 108.800 -0.052 0.000 2.250 240 G HA2 0.026 3.985 3.960 -0.001 0.000 0.189 240 G HA3 0.026 3.985 3.960 -0.001 0.000 0.189 240 G C -0.121 174.847 174.900 0.113 0.000 1.298 240 G CA -0.204 44.920 45.100 0.039 0.000 1.246 240 G HN 0.835 nan 8.290 nan 0.000 0.513 241 S N -0.010 115.749 115.700 0.098 0.000 2.593 241 S HA 0.463 4.932 4.470 -0.001 0.000 0.269 241 S C 1.538 176.225 174.600 0.146 0.000 1.334 241 S CA 0.341 58.617 58.200 0.127 0.000 1.015 241 S CB 1.269 64.510 63.200 0.069 0.000 0.912 241 S HN 1.225 nan 8.310 nan 0.000 0.541 242 L N 1.461 122.792 121.223 0.179 0.000 2.127 242 L HA 0.001 4.340 4.340 -0.001 0.000 0.211 242 L C 2.447 179.368 176.870 0.085 0.000 1.089 242 L CA 1.815 56.767 54.840 0.186 0.000 0.757 242 L CB -1.510 40.702 42.059 0.255 0.000 0.899 242 L HN 0.778 nan 8.230 nan 0.000 0.434 243 E N -0.855 119.390 120.200 0.075 0.000 2.106 243 E HA -0.188 4.161 4.350 -0.001 0.000 0.192 243 E C 2.198 178.798 176.600 0.000 0.000 0.984 243 E CA 0.893 57.312 56.400 0.032 0.000 0.806 243 E CB -0.181 29.550 29.700 0.052 0.000 0.750 243 E HN 0.341 nan 8.360 nan 0.000 0.458 244 K N 0.349 120.760 120.400 0.018 0.000 2.025 244 K HA -0.099 4.220 4.320 -0.001 0.000 0.207 244 K C 1.904 178.491 176.600 -0.022 0.000 1.049 244 K CA 1.081 57.372 56.287 0.007 0.000 0.933 244 K CB -0.035 32.478 32.500 0.021 0.000 0.714 244 K HN -0.027 nan 8.250 nan 0.000 0.438 245 V N 1.463 121.362 119.914 -0.025 0.000 2.392 245 V HA -0.256 3.863 4.120 -0.001 0.000 0.249 245 V C 2.521 178.541 176.094 -0.124 0.000 1.059 245 V CA 1.987 64.249 62.300 -0.063 0.000 1.051 245 V CB -0.579 31.220 31.823 -0.040 0.000 0.658 245 V HN 0.389 nan 8.190 nan 0.000 0.455 246 R N -0.121 120.289 120.500 -0.150 0.000 2.075 246 R HA -0.179 4.160 4.340 -0.001 0.000 0.232 246 R C 2.342 178.519 176.300 -0.205 0.000 1.126 246 R CA 1.872 57.832 56.100 -0.233 0.000 0.963 246 R CB -0.159 29.981 30.300 -0.265 0.000 0.858 246 R HN 0.643 nan 8.270 nan 0.000 0.435 247 E N 0.330 120.442 120.200 -0.146 0.000 2.033 247 E HA -0.263 4.086 4.350 -0.001 0.000 0.199 247 E C 2.204 178.657 176.600 -0.246 0.000 1.011 247 E CA 1.724 58.035 56.400 -0.148 0.000 0.815 247 E CB -0.133 29.524 29.700 -0.072 0.000 0.755 247 E HN 0.445 nan 8.360 nan 0.000 0.451 248 Q N 0.301 119.986 119.800 -0.192 0.000 2.152 248 Q HA -0.184 4.155 4.340 -0.001 0.000 0.206 248 Q C 2.390 178.121 176.000 -0.449 0.000 0.985 248 Q CA 1.495 57.139 55.803 -0.265 0.000 0.863 248 Q CB -0.142 28.637 28.738 0.068 0.000 0.904 248 Q HN 0.168 nan 8.270 nan 0.000 0.422 249 V N 1.058 120.767 119.914 -0.343 0.000 2.229 249 V HA -0.294 3.825 4.120 -0.001 0.000 0.243 249 V C 2.206 177.964 176.094 -0.559 0.000 1.042 249 V CA 1.982 64.007 62.300 -0.459 0.000 1.000 249 V CB -0.706 30.880 31.823 -0.396 0.000 0.637 249 V HN 0.388 nan 8.190 nan 0.000 0.446 250 Q N -0.258 119.312 119.800 -0.383 0.000 2.173 250 Q HA -0.266 4.073 4.340 -0.001 0.000 0.208 250 Q C 2.325 178.155 176.000 -0.283 0.000 0.989 250 Q CA 1.891 57.542 55.803 -0.253 0.000 0.872 250 Q CB -0.443 28.192 28.738 -0.171 0.000 0.909 250 Q HN 0.704 nan 8.270 nan 0.000 0.420 251 A N 0.875 123.417 122.820 -0.465 0.000 1.898 251 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 251 A C 2.285 179.568 177.584 -0.503 0.000 1.181 251 A CA 1.453 53.138 52.037 -0.586 0.000 0.620 251 A CB -0.652 17.695 19.000 -1.089 0.000 0.819 251 A HN 0.403 nan 8.150 nan 0.000 0.442 252 A N -0.638 121.855 122.820 -0.545 0.000 1.873 252 A HA -0.173 4.146 4.320 -0.001 0.000 0.215 252 A C 1.916 179.497 177.584 -0.006 0.000 1.186 252 A CA 1.633 53.584 52.037 -0.144 0.000 0.616 252 A CB -1.038 17.903 19.000 -0.098 0.000 0.823 252 A HN 0.747 nan 8.150 nan 0.000 0.442 253 H N -0.782 118.239 119.070 -0.082 0.000 2.421 253 H HA 0.007 4.562 4.556 -0.002 0.000 0.298 253 H C 2.430 177.733 175.328 -0.041 0.000 1.087 253 H CA 0.559 56.576 56.048 -0.051 0.000 1.330 253 H CB 0.039 29.762 29.762 -0.066 0.000 1.388 253 H HN 0.571 nan 8.280 nan 0.000 0.526 254 A N 1.006 123.859 122.820 0.055 0.000 1.972 254 A HA -0.110 4.209 4.320 -0.001 0.000 0.219 254 A C 2.031 179.638 177.584 0.038 0.000 1.169 254 A CA 1.050 53.100 52.037 0.022 0.000 0.635 254 A CB -0.476 18.510 19.000 -0.024 0.000 0.810 254 A HN 0.322 nan 8.150 nan 0.000 0.446 255 L N -0.788 120.469 121.223 0.057 0.000 2.612 255 L HA 0.212 4.551 4.340 -0.001 0.000 0.230 255 L C 1.475 178.394 176.870 0.081 0.000 1.140 255 L CA 0.343 55.231 54.840 0.081 0.000 0.896 255 L CB -0.474 41.662 42.059 0.128 0.000 1.065 255 L HN 0.538 nan 8.230 nan 0.000 0.447 256 G N 1.077 109.923 108.800 0.077 0.000 2.249 256 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.273 256 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.273 256 G C -0.027 174.925 174.900 0.086 0.000 1.036 256 G CA 0.062 45.204 45.100 0.069 0.000 0.824 256 G HN 0.294 nan 8.290 nan 0.000 0.504 257 L N 0.256 121.550 121.223 0.119 0.000 2.322 257 L HA 0.544 4.883 4.340 -0.001 0.000 0.279 257 L C 0.915 177.873 176.870 0.147 0.000 1.036 257 L CA -0.916 53.994 54.840 0.117 0.000 0.807 257 L CB 1.596 43.734 42.059 0.133 0.000 1.226 257 L HN 0.059 nan 8.230 nan 0.000 0.433 258 T N 2.048 116.664 114.554 0.104 0.000 2.901 258 T HA 0.434 4.783 4.350 -0.001 0.000 0.301 258 T C 0.085 174.822 174.700 0.063 0.000 1.012 258 T CA -0.314 61.855 62.100 0.115 0.000 1.135 258 T CB 0.961 69.896 68.868 0.112 0.000 0.936 258 T HN 0.667 nan 8.240 nan 0.000 0.539 259 A N 3.326 126.201 122.820 0.091 0.000 2.310 259 A HA 0.614 4.933 4.320 -0.001 0.000 0.304 259 A C -0.425 177.171 177.584 0.020 0.000 1.231 259 A CA -0.666 51.367 52.037 -0.006 0.000 0.799 259 A CB 0.771 19.693 19.000 -0.130 0.000 1.162 259 A HN 0.667 nan 8.150 nan 0.000 0.486 260 V N 5.084 124.992 119.914 -0.010 0.000 2.318 260 V HA 0.199 4.318 4.120 -0.001 0.000 0.271 260 V C 0.095 176.191 176.094 0.004 0.000 1.030 260 V CA -0.555 61.765 62.300 0.033 0.000 0.844 260 V CB 0.782 32.657 31.823 0.088 0.000 1.015 260 V HN 0.703 nan 8.190 nan 0.000 0.460 261 I N 4.296 124.874 120.570 0.014 0.000 2.533 261 I HA 0.219 4.388 4.170 -0.001 0.000 0.284 261 I C 0.610 176.732 176.117 0.008 0.000 1.109 261 I CA 1.068 62.367 61.300 -0.001 0.000 1.412 261 I CB 0.980 38.994 38.000 0.023 0.000 1.396 261 I HN 0.711 nan 8.210 nan 0.000 0.543 262 S N 4.879 120.562 115.700 -0.028 0.000 2.569 262 S HA 0.392 4.861 4.470 -0.001 0.000 0.280 262 S C -0.448 174.112 174.600 -0.066 0.000 1.111 262 S CA -0.497 57.683 58.200 -0.033 0.000 0.887 262 S CB 1.874 65.052 63.200 -0.038 0.000 1.095 262 S HN 0.622 nan 8.310 nan 0.000 0.476 263 S N 1.771 117.433 115.700 -0.064 0.000 2.549 263 S HA 0.317 4.787 4.470 -0.001 0.000 0.279 263 S C 0.361 174.876 174.600 -0.143 0.000 1.321 263 S CA -0.438 57.714 58.200 -0.079 0.000 1.054 263 S CB 0.238 63.389 63.200 -0.083 0.000 0.899 263 S HN 0.692 nan 8.310 nan 0.000 0.497 264 S N 4.844 120.463 115.700 -0.136 0.000 2.552 264 S HA 0.314 4.783 4.470 -0.001 0.000 0.246 264 S C 0.486 175.003 174.600 -0.137 0.000 1.019 264 S CA -0.439 57.642 58.200 -0.197 0.000 1.045 264 S CB -0.849 62.247 63.200 -0.174 0.000 0.784 264 S HN 0.807 nan 8.310 nan 0.000 0.453 265 I N 0.260 120.764 120.570 -0.110 0.000 6.214 265 I HA -0.261 3.908 4.170 -0.001 0.000 0.126 265 I C -0.119 175.999 176.117 0.001 0.000 1.821 265 I CA 0.100 61.358 61.300 -0.070 0.000 2.045 265 I CB -1.769 36.179 38.000 -0.087 0.000 3.452 265 I HN 0.296 nan 8.210 nan 0.000 0.172 266 E N 1.385 121.610 120.200 0.042 0.000 2.410 266 E HA 0.360 4.709 4.350 -0.001 0.000 0.255 266 E C 0.836 177.491 176.600 0.092 0.000 1.194 266 E CA 0.282 56.761 56.400 0.132 0.000 0.955 266 E CB 0.423 30.237 29.700 0.190 0.000 0.988 266 E HN 0.460 nan 8.360 nan 0.000 0.461 267 S N -0.123 115.639 115.700 0.104 0.000 2.608 267 S HA 0.002 4.471 4.470 -0.001 0.000 0.261 267 S C 1.243 175.852 174.600 0.016 0.000 1.314 267 S CA -0.068 58.105 58.200 -0.045 0.000 0.992 267 S CB 0.972 63.995 63.200 -0.295 0.000 0.935 267 S HN 0.572 nan 8.310 nan 0.000 0.564 268 S N 0.919 116.605 115.700 -0.023 0.000 2.392 268 S HA -0.212 4.257 4.470 -0.001 0.000 0.232 268 S C 1.683 176.325 174.600 0.070 0.000 1.041 268 S CA 1.365 59.593 58.200 0.046 0.000 1.026 268 S CB -1.015 62.193 63.200 0.013 0.000 0.845 268 S HN 0.686 nan 8.310 nan 0.000 0.465 269 L N 2.413 123.624 121.223 -0.021 0.000 1.976 269 L HA 0.098 4.437 4.340 -0.001 0.000 0.209 269 L C 2.697 179.606 176.870 0.066 0.000 1.071 269 L CA 2.120 56.918 54.840 -0.071 0.000 0.746 269 L CB -1.285 40.606 42.059 -0.280 0.000 0.890 269 L HN 0.404 nan 8.230 nan 0.000 0.432 270 G N -0.840 108.057 108.800 0.161 0.000 2.432 270 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.219 270 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.219 270 G C 1.580 176.617 174.900 0.229 0.000 1.135 270 G CA 0.955 46.187 45.100 0.219 0.000 0.767 270 G HN 0.379 nan 8.290 nan 0.000 0.550 271 L N 1.109 122.459 121.223 0.212 0.000 1.994 271 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 271 L C 3.418 180.543 176.870 0.424 0.000 1.071 271 L CA 1.980 56.982 54.840 0.270 0.000 0.745 271 L CB -1.165 41.012 42.059 0.197 0.000 0.892 271 L HN 0.451 nan 8.230 nan 0.000 0.431 272 T N -3.150 111.636 114.554 0.387 0.000 2.759 272 T HA -0.259 4.090 4.350 -0.001 0.000 0.269 272 T C 1.754 176.545 174.700 0.153 0.000 1.042 272 T CA 1.192 63.468 62.100 0.292 0.000 1.140 272 T CB -0.308 68.656 68.868 0.160 0.000 0.864 272 T HN 0.364 nan 8.240 nan 0.000 0.455 273 Q N 0.540 120.425 119.800 0.141 0.000 2.123 273 Q HA 0.132 4.471 4.340 -0.001 0.000 0.199 273 Q C 2.487 178.583 176.000 0.160 0.000 0.966 273 Q CA 1.066 56.935 55.803 0.109 0.000 0.845 273 Q CB -0.364 28.425 28.738 0.086 0.000 0.907 273 Q HN 0.525 nan 8.270 nan 0.000 0.439 274 L N 0.132 121.489 121.223 0.223 0.000 2.083 274 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 274 L C 2.505 179.470 176.870 0.159 0.000 1.083 274 L CA 0.923 55.896 54.840 0.222 0.000 0.752 274 L CB -0.596 41.592 42.059 0.215 0.000 0.899 274 L HN 0.207 nan 8.230 nan 0.000 0.433 275 A N 0.254 123.166 122.820 0.153 0.000 1.940 275 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 275 A C 2.380 179.898 177.584 -0.110 0.000 1.176 275 A CA 1.668 53.706 52.037 0.001 0.000 0.631 275 A CB -0.447 18.447 19.000 -0.177 0.000 0.814 275 A HN 0.343 nan 8.150 nan 0.000 0.446 276 R N -0.845 119.615 120.500 -0.067 0.000 2.090 276 R HA 0.066 4.405 4.340 -0.001 0.000 0.228 276 R C 1.951 178.313 176.300 0.103 0.000 1.110 276 R CA 1.355 57.432 56.100 -0.039 0.000 0.973 276 R CB -0.399 29.875 30.300 -0.043 0.000 0.869 276 R HN 0.555 nan 8.270 nan 0.000 0.440 277 I N 0.670 121.346 120.570 0.176 0.000 2.226 277 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 277 I C 2.561 178.806 176.117 0.212 0.000 1.100 277 I CA 1.189 62.667 61.300 0.296 0.000 1.374 277 I CB -0.363 37.809 38.000 0.286 0.000 1.057 277 I HN 0.188 nan 8.210 nan 0.000 0.413 278 A N 0.889 123.785 122.820 0.128 0.000 1.849 278 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 278 A C 2.572 180.210 177.584 0.091 0.000 1.202 278 A CA 2.351 54.440 52.037 0.087 0.000 0.629 278 A CB -1.259 17.780 19.000 0.065 0.000 0.834 278 A HN 0.428 nan 8.150 nan 0.000 0.447 279 A N -1.920 120.938 122.820 0.064 0.000 1.958 279 A HA -0.247 4.072 4.320 -0.001 0.000 0.221 279 A C 1.976 179.660 177.584 0.166 0.000 1.178 279 A CA 2.062 54.136 52.037 0.061 0.000 0.642 279 A CB -0.875 18.117 19.000 -0.013 0.000 0.816 279 A HN 0.907 nan 8.150 nan 0.000 0.453 280 W N 0.204 121.496 121.300 -0.013 0.000 2.413 280 W HA -0.008 4.650 4.660 -0.002 0.000 0.315 280 W C 1.809 178.340 176.519 0.020 0.000 1.186 280 W CA 1.779 59.125 57.345 0.002 0.000 1.326 280 W CB -0.665 28.799 29.460 0.006 0.000 1.153 280 W HN 0.228 nan 8.180 nan 0.000 0.489 281 L N -0.200 121.020 121.223 -0.006 0.000 2.463 281 L HA 0.148 4.487 4.340 -0.001 0.000 0.219 281 L C 1.100 177.973 176.870 0.006 0.000 1.088 281 L CA 1.356 56.086 54.840 -0.184 0.000 0.849 281 L CB -0.715 41.166 42.059 -0.296 0.000 1.012 281 L HN -0.012 nan 8.230 nan 0.000 0.468 282 T N -4.111 110.479 114.554 0.060 0.000 3.630 282 T HA 0.275 4.624 4.350 -0.001 0.000 0.238 282 T C -1.951 172.792 174.700 0.071 0.000 1.195 282 T CA -1.308 60.857 62.100 0.108 0.000 1.433 282 T CB 0.481 69.412 68.868 0.106 0.000 0.940 282 T HN -0.140 nan 8.240 nan 0.000 0.641 283 P HA -0.131 nan 4.420 nan 0.000 0.219 283 P C 0.754 178.068 177.300 0.023 0.000 1.146 283 P CA 1.372 64.497 63.100 0.042 0.000 0.808 283 P CB 0.032 31.757 31.700 0.041 0.000 0.779 284 D N -1.338 119.069 120.400 0.011 0.000 2.277 284 D HA -0.040 4.599 4.640 -0.001 0.000 0.208 284 D C 0.165 176.474 176.300 0.014 0.000 0.962 284 D CA 0.835 54.832 54.000 -0.006 0.000 0.865 284 D CB -0.893 39.876 40.800 -0.051 0.000 0.939 284 D HN 0.057 nan 8.370 nan 0.000 0.510 285 T N 0.566 115.143 114.554 0.039 0.000 2.840 285 T HA 0.406 4.755 4.350 -0.001 0.000 0.287 285 T C 0.222 174.960 174.700 0.064 0.000 0.991 285 T CA -0.718 61.416 62.100 0.058 0.000 0.964 285 T CB 1.605 70.525 68.868 0.086 0.000 0.954 285 T HN 0.013 nan 8.240 nan 0.000 0.438 286 I N 6.099 126.707 120.570 0.065 0.000 2.775 286 I HA 0.122 4.291 4.170 -0.001 0.000 0.290 286 I C -1.586 174.584 176.117 0.088 0.000 1.203 286 I CA -1.331 60.014 61.300 0.075 0.000 1.433 286 I CB 0.487 38.530 38.000 0.072 0.000 1.354 286 I HN 0.356 nan 8.210 nan 0.000 0.579 287 P HA 0.158 nan 4.420 nan 0.000 0.278 287 P C -0.162 177.191 177.300 0.087 0.000 1.258 287 P CA -0.510 62.646 63.100 0.094 0.000 0.811 287 P CB 0.832 32.596 31.700 0.107 0.000 1.063 288 G N 1.235 110.075 108.800 0.066 0.000 3.343 288 G HA2 0.398 4.357 3.960 -0.001 0.000 0.279 288 G HA3 0.398 4.357 3.960 -0.001 0.000 0.279 288 G C 0.310 175.208 174.900 -0.003 0.000 0.919 288 G CA -0.317 44.805 45.100 0.037 0.000 1.812 288 G HN 0.374 nan 8.290 nan 0.000 0.584 289 L N 0.303 121.518 121.223 -0.013 0.000 3.184 289 L HA 0.229 4.568 4.340 -0.001 0.000 0.283 289 L C 0.500 177.220 176.870 -0.250 0.000 1.218 289 L CA -0.146 54.642 54.840 -0.087 0.000 1.028 289 L CB 0.842 42.911 42.059 0.017 0.000 1.400 289 L HN 0.244 nan 8.230 nan 0.000 0.591 290 D N 0.855 121.146 120.400 -0.182 0.000 2.845 290 D HA 0.026 4.665 4.640 -0.001 0.000 0.235 290 D C 1.216 177.404 176.300 -0.187 0.000 1.158 290 D CA 0.230 54.096 54.000 -0.223 0.000 0.990 290 D CB 0.366 41.087 40.800 -0.131 0.000 1.094 290 D HN 0.175 nan 8.370 nan 0.000 0.486 291 T N -1.975 112.450 114.554 -0.214 0.000 3.132 291 T HA 0.066 4.415 4.350 -0.001 0.000 0.274 291 T C 1.341 175.939 174.700 -0.169 0.000 1.011 291 T CA -0.407 61.597 62.100 -0.160 0.000 0.899 291 T CB 0.060 68.848 68.868 -0.133 0.000 1.089 291 T HN 0.164 nan 8.240 nan 0.000 0.543 292 L N 1.614 122.692 121.223 -0.241 0.000 2.162 292 L HA 0.283 4.622 4.340 -0.001 0.000 0.205 292 L C 1.475 178.252 176.870 -0.156 0.000 1.086 292 L CA 1.547 56.255 54.840 -0.221 0.000 0.778 292 L CB -0.347 41.501 42.059 -0.352 0.000 0.928 292 L HN 0.009 nan 8.230 nan 0.000 0.446 293 D N -0.367 119.942 120.400 -0.152 0.000 2.310 293 D HA -0.098 4.541 4.640 -0.001 0.000 0.212 293 D C 1.988 178.244 176.300 -0.073 0.000 0.965 293 D CA 1.030 54.971 54.000 -0.100 0.000 0.879 293 D CB -0.057 40.690 40.800 -0.089 0.000 0.921 293 D HN 0.358 nan 8.370 nan 0.000 0.510 294 L N -0.629 120.548 121.223 -0.076 0.000 2.610 294 L HA 0.087 4.426 4.340 -0.001 0.000 0.232 294 L C 1.057 177.899 176.870 -0.046 0.000 1.149 294 L CA 0.367 55.174 54.840 -0.055 0.000 0.872 294 L CB -0.342 41.683 42.059 -0.057 0.000 0.992 294 L HN -0.085 nan 8.230 nan 0.000 0.447 295 M N -1.423 118.145 119.600 -0.054 0.000 2.706 295 M HA 0.280 4.759 4.480 -0.001 0.000 0.304 295 M C 0.288 176.566 176.300 -0.038 0.000 1.217 295 M CA -0.332 54.942 55.300 -0.042 0.000 0.922 295 M CB 1.436 34.007 32.600 -0.049 0.000 1.637 295 M HN -0.131 nan 8.290 nan 0.000 0.492 296 Q N -0.291 119.492 119.800 -0.028 0.000 2.247 296 Q HA 0.468 4.808 4.340 -0.001 0.000 0.211 296 Q C -0.541 175.443 176.000 -0.027 0.000 0.861 296 Q CA -0.206 55.584 55.803 -0.023 0.000 0.949 296 Q CB 1.323 30.054 28.738 -0.012 0.000 1.115 296 Q HN 0.715 nan 8.270 nan 0.000 0.507 297 A N 0.866 123.663 122.820 -0.038 0.000 2.566 297 A HA 0.415 4.734 4.320 -0.001 0.000 0.297 297 A C -1.245 176.296 177.584 -0.071 0.000 1.059 297 A CA -0.816 51.193 52.037 -0.048 0.000 0.691 297 A CB 1.239 20.214 19.000 -0.041 0.000 1.282 297 A HN 0.063 nan 8.150 nan 0.000 0.401 298 Q N 0.723 120.480 119.800 -0.071 0.000 2.317 298 Q HA 0.557 4.896 4.340 -0.001 0.000 0.229 298 Q C -0.739 175.185 176.000 -0.127 0.000 0.984 298 Q CA -0.348 55.403 55.803 -0.087 0.000 0.911 298 Q CB 0.913 29.616 28.738 -0.058 0.000 1.217 298 Q HN 0.697 nan 8.270 nan 0.000 0.501 299 Q N 0.164 119.861 119.800 -0.171 0.000 2.331 299 Q HA 0.321 4.660 4.340 -0.001 0.000 0.272 299 Q C -0.056 175.759 176.000 -0.308 0.000 1.062 299 Q CA -0.430 55.242 55.803 -0.218 0.000 0.806 299 Q CB 2.471 31.064 28.738 -0.241 0.000 1.312 299 Q HN 0.591 nan 8.270 nan 0.000 0.431 300 V N -0.199 119.508 119.914 -0.344 0.000 0.489 300 V HA -0.420 3.699 4.120 -0.001 0.000 0.092 300 V C 0.257 176.082 176.094 -0.449 0.000 2.367 300 V CA 2.143 64.139 62.300 -0.506 0.000 3.630 300 V CB -1.030 30.275 31.823 -0.864 0.000 0.914 300 V HN 0.816 nan 8.190 nan 0.000 0.957 301 R N 0.212 120.484 120.500 -0.381 0.000 2.637 301 R HA 0.690 5.029 4.340 -0.001 0.000 0.291 301 R C -0.266 175.947 176.300 -0.146 0.000 0.963 301 R CA -0.809 55.137 56.100 -0.258 0.000 0.901 301 R CB 1.745 31.901 30.300 -0.242 0.000 1.160 301 R HN 0.463 nan 8.270 nan 0.000 0.457 302 R N 1.430 121.861 120.500 -0.115 0.000 2.368 302 R HA 0.179 4.518 4.340 -0.001 0.000 0.302 302 R C -0.592 175.698 176.300 -0.017 0.000 1.002 302 R CA -0.630 55.436 56.100 -0.057 0.000 0.929 302 R CB 1.370 31.622 30.300 -0.081 0.000 1.073 302 R HN 0.502 nan 8.270 nan 0.000 0.464 303 W N 6.476 127.706 121.300 -0.118 0.000 2.419 303 W HA 0.155 4.814 4.660 -0.001 0.000 0.312 303 W C -2.285 174.107 176.519 -0.213 0.000 1.323 303 W CA -2.352 54.914 57.345 -0.130 0.000 1.293 303 W CB 0.831 30.252 29.460 -0.064 0.000 1.324 303 W HN 0.385 nan 8.180 nan 0.000 0.512 304 P HA 0.110 nan 4.420 nan 0.000 0.265 304 P C 0.599 177.724 177.300 -0.292 0.000 1.222 304 P CA 1.240 64.015 63.100 -0.542 0.000 0.767 304 P CB 0.698 31.879 31.700 -0.865 0.000 0.801 305 G N 2.200 110.958 108.800 -0.070 0.000 2.391 305 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.204 305 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.204 305 G C 0.438 175.393 174.900 0.092 0.000 1.012 305 G CA 0.056 45.180 45.100 0.040 0.000 0.651 305 G HN 0.734 nan 8.290 nan 0.000 0.494 306 S N 1.166 116.964 115.700 0.164 0.000 2.558 306 S HA 0.415 4.884 4.470 -0.001 0.000 0.288 306 S C 1.720 176.338 174.600 0.030 0.000 1.318 306 S CA 1.563 59.819 58.200 0.094 0.000 1.056 306 S CB 0.947 64.215 63.200 0.113 0.000 0.853 306 S HN 1.373 nan 8.310 nan 0.000 0.505 307 T N 3.474 118.034 114.554 0.009 0.000 3.054 307 T HA 0.312 4.661 4.350 -0.001 0.000 0.255 307 T C 0.635 175.328 174.700 -0.012 0.000 1.035 307 T CA -0.297 61.801 62.100 -0.005 0.000 0.941 307 T CB -0.329 68.535 68.868 -0.006 0.000 1.026 307 T HN 0.470 nan 8.240 nan 0.000 0.533 308 L N 2.237 123.451 121.223 -0.014 0.000 2.473 308 L HA 0.369 4.708 4.340 -0.001 0.000 0.268 308 L C -2.007 174.848 176.870 -0.025 0.000 1.215 308 L CA -2.167 52.660 54.840 -0.022 0.000 0.823 308 L CB 0.177 42.218 42.059 -0.029 0.000 1.099 308 L HN 0.092 nan 8.230 nan 0.000 0.483 309 P HA 0.155 nan 4.420 nan 0.000 0.279 309 P C -1.069 176.206 177.300 -0.042 0.000 1.239 309 P CA -0.299 62.783 63.100 -0.031 0.000 0.789 309 P CB 0.997 32.683 31.700 -0.024 0.000 0.933 310 V N 3.734 123.619 119.914 -0.049 0.000 2.370 310 V HA 0.187 4.306 4.120 -0.001 0.000 0.279 310 V C 0.397 176.449 176.094 -0.070 0.000 1.029 310 V CA -0.718 61.541 62.300 -0.069 0.000 0.870 310 V CB 1.562 33.338 31.823 -0.078 0.000 0.984 310 V HN 0.262 nan 8.190 nan 0.000 0.451 311 V N 4.723 124.588 119.914 -0.081 0.000 2.498 311 V HA 0.336 4.455 4.120 -0.001 0.000 0.279 311 V C 0.370 176.402 176.094 -0.103 0.000 1.048 311 V CA -0.490 61.767 62.300 -0.070 0.000 0.967 311 V CB 1.348 33.139 31.823 -0.054 0.000 0.988 311 V HN 0.801 nan 8.190 nan 0.000 0.473 312 E N 2.512 122.663 120.200 -0.081 0.000 2.250 312 E HA 0.294 4.643 4.350 -0.001 0.000 0.269 312 E C 1.012 177.547 176.600 -0.108 0.000 1.018 312 E CA -0.487 55.849 56.400 -0.107 0.000 0.873 312 E CB 1.976 31.633 29.700 -0.071 0.000 1.134 312 E HN 0.336 nan 8.360 nan 0.000 0.403 313 V N 1.099 120.917 119.914 -0.160 0.000 2.453 313 V HA -0.235 3.885 4.120 -0.001 0.000 0.252 313 V C 1.015 177.072 176.094 -0.060 0.000 1.068 313 V CA 1.801 63.987 62.300 -0.190 0.000 1.070 313 V CB -0.272 31.456 31.823 -0.157 0.000 0.664 313 V HN 0.538 nan 8.190 nan 0.000 0.461 314 D N -0.404 120.002 120.400 0.010 0.000 2.358 314 D HA 0.295 4.934 4.640 -0.001 0.000 0.224 314 D C 1.612 177.959 176.300 0.079 0.000 1.123 314 D CA 0.853 54.901 54.000 0.079 0.000 0.833 314 D CB 0.822 41.666 40.800 0.074 0.000 0.946 314 D HN 0.491 nan 8.370 nan 0.000 0.505 315 A N 0.083 122.939 122.820 0.061 0.000 2.197 315 A HA 0.174 4.493 4.320 -0.001 0.000 0.210 315 A C 1.102 178.763 177.584 0.128 0.000 1.180 315 A CA -0.086 51.997 52.037 0.078 0.000 0.846 315 A CB 0.174 19.201 19.000 0.046 0.000 0.884 315 A HN 0.116 nan 8.150 nan 0.000 0.487 316 L N 1.014 122.331 121.223 0.155 0.000 2.426 316 L HA 0.180 4.519 4.340 -0.001 0.000 0.271 316 L C 0.647 177.735 176.870 0.363 0.000 1.169 316 L CA -0.329 54.673 54.840 0.269 0.000 0.836 316 L CB 0.516 42.740 42.059 0.274 0.000 1.112 316 L HN 0.424 nan 8.230 nan 0.000 0.465 317 E N 3.605 124.012 120.200 0.345 0.000 2.324 317 E HA 0.088 4.438 4.350 -0.001 0.000 0.271 317 E C -0.369 176.411 176.600 0.300 0.000 1.028 317 E CA -0.456 56.108 56.400 0.273 0.000 0.890 317 E CB 0.793 30.617 29.700 0.207 0.000 1.004 317 E HN 0.403 nan 8.360 nan 0.000 0.431 318 R N 3.785 124.397 120.500 0.187 0.000 2.500 318 R HA 0.321 4.661 4.340 -0.001 0.000 0.277 318 R C 0.491 176.773 176.300 -0.030 0.000 1.026 318 R CA -0.256 55.855 56.100 0.018 0.000 1.058 318 R CB 0.674 30.966 30.300 -0.013 0.000 1.078 318 R HN 0.712 nan 8.270 nan 0.000 0.509 319 L N 2.517 123.673 121.223 -0.111 0.000 2.902 319 L HA 0.329 4.668 4.340 -0.001 0.000 0.254 319 L C -0.132 176.683 176.870 -0.090 0.000 1.115 319 L CA 0.037 54.829 54.840 -0.080 0.000 0.947 319 L CB 0.484 42.499 42.059 -0.072 0.000 1.369 319 L HN 0.415 nan 8.230 nan 0.000 0.538 320 L N 0.000 121.139 121.223 -0.140 0.000 2.949 320 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 320 L CA 0.000 54.775 54.840 -0.108 0.000 0.813 320 L CB 0.000 42.014 42.059 -0.076 0.000 0.961 320 L HN 0.000 nan 8.230 nan 0.000 0.502