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 2hj6_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.612 177.584 0.047 0.000 1.274 1 A CA 0.000 52.058 52.037 0.036 0.000 0.836 1 A CB 0.000 19.025 19.000 0.042 0.000 0.831 2 E N 0.611 120.839 120.200 0.047 0.000 2.415 2 E HA 0.072 4.421 4.350 -0.000 0.000 0.262 2 E C -0.506 176.171 176.600 0.128 0.000 1.038 2 E CA -0.014 56.428 56.400 0.070 0.000 0.921 2 E CB 0.310 30.036 29.700 0.043 0.000 0.950 2 E HN 0.585 nan 8.360 nan 0.000 0.438 3 Y N 2.240 122.536 120.300 -0.007 0.000 3.032 3 Y HA -0.202 4.348 4.550 -0.000 0.000 0.344 3 Y C 1.021 176.912 175.900 -0.016 0.000 1.273 3 Y CA 0.632 58.731 58.100 -0.002 0.000 1.588 3 Y CB 0.278 38.734 38.460 -0.006 0.000 1.209 3 Y HN 0.404 nan 8.280 nan 0.000 0.597 4 Q N 3.557 123.362 119.800 0.008 0.000 2.384 4 Q HA -0.029 4.311 4.340 -0.000 0.000 0.207 4 Q C 0.719 176.470 176.000 -0.415 0.000 0.904 4 Q CA 0.719 56.419 55.803 -0.172 0.000 0.933 4 Q CB -0.186 28.511 28.738 -0.070 0.000 1.077 4 Q HN 0.819 nan 8.270 nan 0.000 0.522 5 N N -0.069 118.138 118.700 -0.822 0.000 2.776 5 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 5 N C 0.189 175.463 175.510 -0.393 0.000 1.111 5 N CA 0.341 52.862 53.050 -0.881 0.000 0.711 5 N CB -0.874 37.146 38.487 -0.779 0.000 1.065 5 N HN 0.144 nan 8.380 nan 0.000 0.556 6 I N -1.457 118.942 120.570 -0.285 0.000 2.585 6 I HA 0.141 4.311 4.170 -0.000 0.000 0.254 6 I C 0.798 176.615 176.117 -0.499 0.000 1.129 6 I CA 1.009 62.077 61.300 -0.388 0.000 1.455 6 I CB -0.660 37.075 38.000 -0.441 0.000 1.111 6 I HN 0.029 nan 8.210 nan 0.000 0.433 7 F N 0.016 120.098 119.950 0.220 0.000 2.579 7 F HA 0.475 5.002 4.527 -0.000 0.000 0.324 7 F C 0.892 176.936 175.800 0.408 0.000 1.058 7 F CA -0.910 57.289 58.000 0.331 0.000 0.944 7 F CB 1.006 40.188 39.000 0.304 0.000 1.245 7 F HN -0.353 nan 8.300 nan 0.000 0.477 8 S N 0.404 116.493 115.700 0.649 0.000 2.617 8 S HA 0.209 4.679 4.470 -0.000 0.000 0.269 8 S C 0.666 175.573 174.600 0.511 0.000 1.292 8 S CA -0.608 57.916 58.200 0.539 0.000 1.010 8 S CB 1.426 64.838 63.200 0.354 0.000 0.944 8 S HN 0.686 nan 8.310 nan 0.000 0.536 9 Q N 0.062 120.008 119.800 0.244 0.000 2.200 9 Q HA 0.169 4.509 4.340 -0.000 0.000 0.197 9 Q C -0.301 175.835 176.000 0.226 0.000 0.953 9 Q CA 0.614 56.484 55.803 0.113 0.000 0.851 9 Q CB 0.194 28.800 28.738 -0.219 0.000 0.938 9 Q HN 0.429 nan 8.270 nan 0.000 0.488 10 V N 1.570 121.566 119.914 0.137 0.000 2.495 10 V HA 0.243 4.363 4.120 -0.000 0.000 0.298 10 V C -0.594 175.514 176.094 0.024 0.000 1.031 10 V CA -0.737 61.620 62.300 0.096 0.000 0.871 10 V CB 1.699 33.541 31.823 0.032 0.000 0.988 10 V HN 0.166 nan 8.190 nan 0.000 0.432 11 Q N 2.447 122.197 119.800 -0.084 0.000 2.271 11 Q HA 0.641 4.981 4.340 -0.000 0.000 0.258 11 Q C -0.644 175.287 176.000 -0.116 0.000 0.936 11 Q CA -0.560 55.136 55.803 -0.179 0.000 0.909 11 Q CB 2.351 30.845 28.738 -0.406 0.000 1.253 11 Q HN 0.785 nan 8.270 nan 0.000 0.440 12 V N 0.229 120.089 119.914 -0.090 0.000 2.630 12 V HA 0.744 4.864 4.120 -0.000 0.000 0.305 12 V C -0.590 175.443 176.094 -0.102 0.000 1.046 12 V CA -0.986 61.265 62.300 -0.082 0.000 0.934 12 V CB 1.862 33.654 31.823 -0.051 0.000 1.003 12 V HN 0.794 nan 8.190 nan 0.000 0.451 13 R N 1.658 122.083 120.500 -0.125 0.000 2.686 13 R HA 0.805 5.145 4.340 -0.000 0.000 0.283 13 R C -0.200 176.011 176.300 -0.148 0.000 0.978 13 R CA 0.070 56.068 56.100 -0.170 0.000 0.897 13 R CB 2.209 32.334 30.300 -0.292 0.000 1.192 13 R HN 1.184 nan 8.270 nan 0.000 0.457 14 G N 2.283 111.006 108.800 -0.128 0.000 3.105 14 G HA2 0.531 4.491 3.960 -0.000 0.000 0.277 14 G HA3 0.531 4.491 3.960 -0.000 0.000 0.277 14 G C -2.597 172.257 174.900 -0.077 0.000 1.375 14 G CA -1.236 43.811 45.100 -0.090 0.000 0.962 14 G HN 0.465 nan 8.290 nan 0.000 0.541 15 P HA 0.349 nan 4.420 nan 0.000 0.264 15 P C 0.210 177.566 177.300 0.092 0.000 1.179 15 P CA 0.120 63.227 63.100 0.013 0.000 0.763 15 P CB 0.491 32.199 31.700 0.014 0.000 0.806 16 A N 2.297 125.222 122.820 0.175 0.000 2.565 16 A HA 0.035 4.354 4.320 -0.000 0.000 0.237 16 A C 0.445 178.111 177.584 0.136 0.000 1.053 16 A CA 0.172 52.383 52.037 0.290 0.000 0.755 16 A CB -0.279 18.875 19.000 0.255 0.000 0.980 16 A HN 0.522 nan 8.150 nan 0.000 0.506 17 D N 2.797 123.265 120.400 0.114 0.000 2.441 17 D HA 0.269 4.909 4.640 -0.000 0.000 0.221 17 D C 0.907 177.220 176.300 0.021 0.000 1.156 17 D CA -0.135 53.898 54.000 0.054 0.000 0.896 17 D CB 0.243 41.072 40.800 0.048 0.000 1.028 17 D HN 0.451 nan 8.370 nan 0.000 0.509 18 L N 2.670 123.904 121.223 0.019 0.000 2.376 18 L HA 0.181 4.521 4.340 -0.000 0.000 0.219 18 L C 1.415 178.286 176.870 0.002 0.000 1.133 18 L CA 0.537 55.382 54.840 0.008 0.000 0.816 18 L CB -0.821 41.245 42.059 0.011 0.000 0.933 18 L HN 0.616 nan 8.230 nan 0.000 0.449 19 G N -0.329 108.471 108.800 0.000 0.000 2.612 19 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.686 19 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.686 19 G C -0.529 174.365 174.900 -0.010 0.000 1.274 19 G CA -0.969 44.127 45.100 -0.008 0.000 0.849 19 G HN -0.156 nan 8.290 nan 0.000 0.595 20 M N 0.865 120.453 119.600 -0.020 0.000 2.233 20 M HA 0.292 4.772 4.480 -0.000 0.000 0.350 20 M C 1.765 178.051 176.300 -0.024 0.000 1.176 20 M CA 0.437 55.723 55.300 -0.023 0.000 1.150 20 M CB 0.298 32.878 32.600 -0.033 0.000 1.530 20 M HN 0.700 nan 8.290 nan 0.000 0.459 21 T N 0.188 114.730 114.554 -0.019 0.000 2.901 21 T HA -0.010 4.340 4.350 -0.000 0.000 0.252 21 T C 0.892 175.573 174.700 -0.030 0.000 1.035 21 T CA 0.217 62.306 62.100 -0.017 0.000 1.142 21 T CB 0.152 69.015 68.868 -0.008 0.000 0.869 21 T HN 0.589 nan 8.240 nan 0.000 0.442 22 E N 1.191 121.372 120.200 -0.032 0.000 3.484 22 E HA -0.237 4.113 4.350 -0.000 0.000 0.416 22 E C 0.396 176.974 176.600 -0.035 0.000 1.593 22 E CA 1.769 58.146 56.400 -0.038 0.000 1.570 22 E CB -1.199 28.469 29.700 -0.054 0.000 1.551 22 E HN 0.370 nan 8.360 nan 0.000 0.437 23 D N 0.771 121.142 120.400 -0.048 0.000 2.342 23 D HA 0.154 4.794 4.640 -0.000 0.000 0.221 23 D C -0.198 176.075 176.300 -0.044 0.000 1.101 23 D CA 0.080 54.055 54.000 -0.042 0.000 0.837 23 D CB 0.287 41.057 40.800 -0.049 0.000 0.938 23 D HN -0.081 nan 8.370 nan 0.000 0.508 24 V N 2.158 122.043 119.914 -0.049 0.000 2.508 24 V HA -0.032 4.087 4.120 -0.000 0.000 0.281 24 V C 0.842 176.969 176.094 0.056 0.000 1.041 24 V CA -0.618 61.652 62.300 -0.051 0.000 1.016 24 V CB 0.957 32.740 31.823 -0.066 0.000 0.984 24 V HN 0.089 nan 8.190 nan 0.000 0.478 25 N N 5.065 123.846 118.700 0.135 0.000 2.412 25 N HA 0.038 4.778 4.740 -0.000 0.000 0.279 25 N C 0.860 176.479 175.510 0.183 0.000 1.287 25 N CA 0.320 53.468 53.050 0.164 0.000 0.948 25 N CB 0.455 39.054 38.487 0.188 0.000 1.255 25 N HN 0.655 nan 8.380 nan 0.000 0.485 26 L N 2.521 123.796 121.223 0.087 0.000 2.275 26 L HA -0.090 4.250 4.340 -0.000 0.000 0.215 26 L C 2.197 179.065 176.870 -0.003 0.000 1.119 26 L CA 0.716 55.588 54.840 0.054 0.000 0.790 26 L CB -0.435 41.641 42.059 0.029 0.000 0.919 26 L HN 0.528 nan 8.230 nan 0.000 0.443 27 A N 0.923 123.734 122.820 -0.016 0.000 1.986 27 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 27 A C 1.811 179.321 177.584 -0.124 0.000 1.171 27 A CA 2.132 54.138 52.037 -0.053 0.000 0.640 27 A CB -0.693 18.283 19.000 -0.039 0.000 0.811 27 A HN 0.554 nan 8.150 nan 0.000 0.451 28 N N -1.434 117.136 118.700 -0.216 0.000 2.336 28 N HA 0.109 4.849 4.740 -0.000 0.000 0.189 28 N C 0.524 175.682 175.510 -0.586 0.000 1.113 28 N CA -0.153 52.595 53.050 -0.503 0.000 0.858 28 N CB 0.251 38.224 38.487 -0.856 0.000 0.970 28 N HN 0.344 nan 8.380 nan 0.000 0.471 29 R N 0.684 121.032 120.500 -0.253 0.000 2.500 29 R HA 0.273 4.612 4.340 -0.000 0.000 0.277 29 R C 0.403 176.647 176.300 -0.093 0.000 1.026 29 R CA -0.291 55.742 56.100 -0.112 0.000 1.058 29 R CB 1.006 31.316 30.300 0.017 0.000 1.078 29 R HN 0.142 nan 8.270 nan 0.000 0.509 30 S N 0.595 116.256 115.700 -0.064 0.000 2.694 30 S HA 0.509 4.979 4.470 -0.000 0.000 0.278 30 S C 0.452 175.031 174.600 -0.034 0.000 1.152 30 S CA -0.641 57.529 58.200 -0.051 0.000 1.010 30 S CB 1.323 64.497 63.200 -0.043 0.000 1.104 30 S HN 0.635 nan 8.310 nan 0.000 0.547 31 G N -0.311 108.471 108.800 -0.031 0.000 2.528 31 G HA2 0.508 4.467 3.960 -0.000 0.000 0.289 31 G HA3 0.508 4.467 3.960 -0.000 0.000 0.289 31 G C 0.057 174.935 174.900 -0.036 0.000 1.192 31 G CA -0.508 44.577 45.100 -0.024 0.000 0.921 31 G HN 1.293 nan 8.290 nan 0.000 0.512 32 V N -0.507 119.384 119.914 -0.038 0.000 3.032 32 V HA 0.539 4.658 4.120 -0.000 0.000 0.307 32 V C 1.149 177.188 176.094 -0.092 0.000 1.097 32 V CA -0.031 62.217 62.300 -0.086 0.000 1.191 32 V CB 0.273 32.044 31.823 -0.088 0.000 0.964 32 V HN 0.936 nan 8.190 nan 0.000 0.494 33 G N 2.243 110.951 108.800 -0.153 0.000 2.671 33 G HA2 0.693 4.653 3.960 -0.000 0.000 0.275 33 G HA3 0.693 4.653 3.960 -0.000 0.000 0.275 33 G C -2.413 172.386 174.900 -0.169 0.000 1.368 33 G CA -1.269 43.758 45.100 -0.122 0.000 1.044 33 G HN 0.781 nan 8.290 nan 0.000 0.543 34 P HA 0.291 nan 4.420 nan 0.000 0.274 34 P C -1.282 175.951 177.300 -0.112 0.000 1.260 34 P CA -0.101 62.991 63.100 -0.014 0.000 0.793 34 P CB 0.731 32.446 31.700 0.024 0.000 1.048 35 F N -0.709 119.234 119.950 -0.011 0.000 2.469 35 F HA 0.326 4.853 4.527 -0.000 0.000 0.332 35 F C 0.993 176.781 175.800 -0.019 0.000 1.103 35 F CA -0.380 57.609 58.000 -0.019 0.000 0.979 35 F CB 1.788 40.770 39.000 -0.030 0.000 1.137 35 F HN 0.112 nan 8.300 nan 0.000 0.463 36 S N 1.735 117.523 115.700 0.147 0.000 2.520 36 S HA 0.183 4.653 4.470 -0.000 0.000 0.324 36 S C 0.829 175.456 174.600 0.045 0.000 1.069 36 S CA -0.476 57.774 58.200 0.084 0.000 1.121 36 S CB 0.946 64.182 63.200 0.060 0.000 0.971 36 S HN 0.746 nan 8.310 nan 0.000 0.463 37 T N 5.029 119.592 114.554 0.014 0.000 2.822 37 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 37 T C 1.575 176.201 174.700 -0.124 0.000 1.064 37 T CA 1.631 63.670 62.100 -0.100 0.000 1.131 37 T CB -0.350 68.486 68.868 -0.054 0.000 0.858 37 T HN 0.642 nan 8.240 nan 0.000 0.483 38 L N 0.125 121.388 121.223 0.067 0.000 2.023 38 L HA 0.090 4.429 4.340 -0.000 0.000 0.205 38 L C 2.292 179.285 176.870 0.204 0.000 1.073 38 L CA 1.207 56.176 54.840 0.215 0.000 0.745 38 L CB -0.263 41.896 42.059 0.167 0.000 0.900 38 L HN 0.231 nan 8.230 nan 0.000 0.435 39 L N -0.610 120.689 121.223 0.126 0.000 2.081 39 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 39 L C 2.433 179.388 176.870 0.140 0.000 1.080 39 L CA 1.381 56.313 54.840 0.153 0.000 0.754 39 L CB -1.131 40.991 42.059 0.105 0.000 0.893 39 L HN 0.494 nan 8.230 nan 0.000 0.433 40 G N -0.858 107.927 108.800 -0.026 0.000 2.485 40 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.221 40 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.221 40 G C 1.041 175.831 174.900 -0.183 0.000 1.115 40 G CA 0.576 45.572 45.100 -0.173 0.000 0.751 40 G HN 0.493 nan 8.290 nan 0.000 0.567 41 W N -1.523 119.899 121.300 0.204 0.000 2.595 41 W HA 0.299 4.959 4.660 -0.000 0.000 0.257 41 W C 1.866 178.669 176.519 0.473 0.000 1.267 41 W CA -0.327 57.185 57.345 0.278 0.000 1.300 41 W CB -0.101 29.472 29.460 0.188 0.000 1.120 41 W HN 0.164 nan 8.180 nan 0.000 0.618 42 F N -1.135 119.048 119.950 0.389 0.000 2.619 42 F HA 0.463 4.990 4.527 -0.000 0.000 0.281 42 F C 1.358 177.236 175.800 0.130 0.000 1.065 42 F CA 1.101 59.278 58.000 0.295 0.000 1.304 42 F CB -0.135 39.051 39.000 0.310 0.000 1.059 42 F HN -0.239 nan 8.300 nan 0.000 0.648 43 G N -0.458 108.435 108.800 0.156 0.000 3.003 43 G HA2 0.200 4.160 3.960 -0.000 0.000 0.243 43 G HA3 0.200 4.160 3.960 -0.000 0.000 0.243 43 G C -1.373 173.555 174.900 0.048 0.000 1.176 43 G CA -0.762 44.356 45.100 0.029 0.000 0.812 43 G HN -0.088 nan 8.290 nan 0.000 0.584 44 N N 0.601 119.325 118.700 0.039 0.000 2.514 44 N HA 0.427 5.167 4.740 -0.000 0.000 0.277 44 N C 1.025 176.565 175.510 0.050 0.000 1.126 44 N CA 0.371 53.443 53.050 0.036 0.000 0.978 44 N CB 1.799 40.300 38.487 0.023 0.000 1.106 44 N HN 0.549 nan 8.380 nan 0.000 0.461 45 A N 2.144 125.009 122.820 0.075 0.000 2.072 45 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 45 A C 0.969 178.604 177.584 0.085 0.000 1.156 45 A CA 0.521 52.624 52.037 0.109 0.000 0.701 45 A CB -0.157 18.930 19.000 0.144 0.000 0.816 45 A HN 0.756 nan 8.150 nan 0.000 0.458 46 Q N 0.595 120.399 119.800 0.006 0.000 2.296 46 Q HA 0.468 4.808 4.340 -0.000 0.000 0.262 46 Q C -1.082 174.739 176.000 -0.297 0.000 0.981 46 Q CA -0.132 55.425 55.803 -0.411 0.000 0.905 46 Q CB 0.374 28.916 28.738 -0.326 0.000 1.186 46 Q HN 0.516 nan 8.270 nan 0.000 0.399 47 L N 3.523 124.524 121.223 -0.371 0.000 2.344 47 L HA 0.698 5.037 4.340 -0.000 0.000 0.272 47 L C 0.766 177.502 176.870 -0.224 0.000 1.035 47 L CA -0.258 54.456 54.840 -0.211 0.000 0.807 47 L CB 1.397 43.372 42.059 -0.140 0.000 1.237 47 L HN 1.030 nan 8.230 nan 0.000 0.442 48 G N 2.053 110.777 108.800 -0.127 0.000 2.749 48 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.242 48 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.242 48 G C -2.791 172.051 174.900 -0.097 0.000 1.364 48 G CA -0.771 44.272 45.100 -0.094 0.000 0.888 48 G HN 0.482 nan 8.290 nan 0.000 0.566 49 P HA 0.617 nan 4.420 nan 0.000 0.277 49 P C -0.323 176.969 177.300 -0.013 0.000 1.271 49 P CA -0.490 62.586 63.100 -0.039 0.000 0.795 49 P CB 1.023 32.707 31.700 -0.026 0.000 1.101 50 I N -0.205 120.363 120.570 -0.003 0.000 2.498 50 I HA 0.340 4.510 4.170 -0.000 0.000 0.290 50 I C -1.093 175.044 176.117 0.033 0.000 1.032 50 I CA -1.278 60.037 61.300 0.025 0.000 1.073 50 I CB 1.502 39.518 38.000 0.028 0.000 1.251 50 I HN 0.187 nan 8.210 nan 0.000 0.426 51 Y N 7.989 128.258 120.300 -0.052 0.000 2.335 51 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 51 Y C -1.014 174.848 175.900 -0.064 0.000 1.094 51 Y CA -0.162 57.900 58.100 -0.063 0.000 1.253 51 Y CB 0.895 39.304 38.460 -0.086 0.000 1.203 51 Y HN 0.450 nan 8.280 nan 0.000 0.508 52 L N 7.341 128.319 121.223 -0.408 0.000 2.490 52 L HA 0.386 4.726 4.340 -0.000 0.000 0.261 52 L C -0.086 176.594 176.870 -0.315 0.000 1.232 52 L CA 0.106 54.825 54.840 -0.202 0.000 0.892 52 L CB 0.323 42.317 42.059 -0.108 0.000 1.085 52 L HN 0.901 nan 8.230 nan 0.000 0.491 53 G N 0.922 109.585 108.800 -0.228 0.000 2.543 53 G HA2 0.333 4.293 3.960 -0.000 0.000 0.267 53 G HA3 0.333 4.293 3.960 -0.000 0.000 0.267 53 G C 0.779 175.668 174.900 -0.018 0.000 1.406 53 G CA 0.278 45.312 45.100 -0.110 0.000 1.048 53 G HN 0.484 nan 8.290 nan 0.000 0.548 54 S N -0.712 114.992 115.700 0.007 0.000 2.419 54 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 54 S C 2.143 176.765 174.600 0.037 0.000 1.016 54 S CA 0.725 58.933 58.200 0.014 0.000 0.974 54 S CB -0.205 63.004 63.200 0.014 0.000 0.786 54 S HN 0.291 nan 8.310 nan 0.000 0.492 55 L N 1.770 123.019 121.223 0.043 0.000 2.209 55 L HA 0.232 4.572 4.340 -0.000 0.000 0.207 55 L C 2.224 179.131 176.870 0.063 0.000 1.094 55 L CA 1.173 56.043 54.840 0.051 0.000 0.790 55 L CB -1.007 41.067 42.059 0.025 0.000 0.932 55 L HN 0.311 nan 8.230 nan 0.000 0.447 56 G N -1.368 107.458 108.800 0.044 0.000 2.403 56 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.216 56 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.216 56 G C 1.482 176.461 174.900 0.133 0.000 1.154 56 G CA 0.904 46.045 45.100 0.068 0.000 0.784 56 G HN 0.258 nan 8.290 nan 0.000 0.538 57 V N 0.826 120.794 119.914 0.089 0.000 2.295 57 V HA -0.131 3.988 4.120 -0.000 0.000 0.246 57 V C 2.668 178.857 176.094 0.158 0.000 1.049 57 V CA 1.547 63.908 62.300 0.101 0.000 1.024 57 V CB -0.548 31.297 31.823 0.036 0.000 0.648 57 V HN 0.332 nan 8.190 nan 0.000 0.447 58 L N 0.150 121.456 121.223 0.138 0.000 2.013 58 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 58 L C 2.631 179.643 176.870 0.238 0.000 1.073 58 L CA 2.468 57.418 54.840 0.184 0.000 0.753 58 L CB -0.995 41.152 42.059 0.146 0.000 0.890 58 L HN 0.334 nan 8.230 nan 0.000 0.432 59 S N -1.054 114.784 115.700 0.230 0.000 2.343 59 S HA -0.169 4.301 4.470 -0.000 0.000 0.219 59 S C 2.016 176.762 174.600 0.244 0.000 1.033 59 S CA 1.751 60.115 58.200 0.273 0.000 1.014 59 S CB -0.410 63.054 63.200 0.440 0.000 0.915 59 S HN 0.468 nan 8.310 nan 0.000 0.435 60 L N -0.024 121.362 121.223 0.272 0.000 2.046 60 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 60 L C 2.311 179.285 176.870 0.173 0.000 1.077 60 L CA 1.731 56.696 54.840 0.209 0.000 0.747 60 L CB -0.657 41.530 42.059 0.212 0.000 0.896 60 L HN 0.374 nan 8.230 nan 0.000 0.432 61 F N 0.136 120.127 119.950 0.068 0.000 2.102 61 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 61 F C 2.833 178.626 175.800 -0.011 0.000 1.105 61 F CA 1.743 59.756 58.000 0.020 0.000 1.239 61 F CB -0.315 38.696 39.000 0.019 0.000 0.991 61 F HN -0.019 nan 8.300 nan 0.000 0.474 62 S N -0.022 115.740 115.700 0.104 0.000 2.382 62 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 62 S C 2.337 176.871 174.600 -0.111 0.000 1.027 62 S CA 1.347 59.550 58.200 0.005 0.000 0.991 62 S CB -1.220 62.090 63.200 0.185 0.000 0.823 62 S HN 0.579 nan 8.310 nan 0.000 0.469 63 G N 1.749 110.525 108.800 -0.041 0.000 2.421 63 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.216 63 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.216 63 G C 1.411 176.306 174.900 -0.008 0.000 1.171 63 G CA 0.937 46.013 45.100 -0.042 0.000 0.775 63 G HN 0.521 nan 8.290 nan 0.000 0.543 64 L N -0.099 121.135 121.223 0.019 0.000 2.046 64 L HA -0.071 4.268 4.340 -0.000 0.000 0.208 64 L C 3.052 179.833 176.870 -0.148 0.000 1.077 64 L CA 0.677 55.557 54.840 0.068 0.000 0.747 64 L CB -0.470 41.559 42.059 -0.050 0.000 0.896 64 L HN 0.132 nan 8.230 nan 0.000 0.432 65 M N -1.022 118.258 119.600 -0.533 0.000 2.195 65 M HA -0.256 4.224 4.480 -0.000 0.000 0.260 65 M C 2.031 178.091 176.300 -0.401 0.000 1.066 65 M CA 1.745 56.565 55.300 -0.801 0.000 1.089 65 M CB -1.180 30.299 32.600 -1.868 0.000 1.377 65 M HN 0.456 nan 8.290 nan 0.000 0.411 66 W N 0.828 121.866 121.300 -0.436 0.000 2.352 66 W HA -0.216 4.444 4.660 -0.000 0.000 0.322 66 W C 1.966 178.299 176.519 -0.310 0.000 1.208 66 W CA 1.422 58.564 57.345 -0.340 0.000 1.286 66 W CB -1.090 28.090 29.460 -0.468 0.000 1.167 66 W HN 0.116 nan 8.180 nan 0.000 0.469 67 F N 0.250 119.983 119.950 -0.361 0.000 2.043 67 F HA -0.249 4.278 4.527 -0.000 0.000 0.297 67 F C 2.406 178.030 175.800 -0.293 0.000 1.118 67 F CA 2.099 59.809 58.000 -0.484 0.000 1.202 67 F CB -2.071 36.767 39.000 -0.270 0.000 0.965 67 F HN -0.042 nan 8.300 nan 0.000 0.482 68 F N 1.232 121.127 119.950 -0.091 0.000 2.039 68 F HA -0.380 4.146 4.527 -0.000 0.000 0.296 68 F C 2.537 178.273 175.800 -0.107 0.000 1.119 68 F CA 2.638 60.573 58.000 -0.107 0.000 1.211 68 F CB -1.293 37.606 39.000 -0.168 0.000 0.956 68 F HN -0.041 nan 8.300 nan 0.000 0.496 69 T N 1.542 115.959 114.554 -0.228 0.000 2.665 69 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 69 T C 2.105 176.622 174.700 -0.305 0.000 1.035 69 T CA 2.178 64.110 62.100 -0.281 0.000 1.151 69 T CB -0.571 68.286 68.868 -0.018 0.000 0.862 69 T HN 0.329 nan 8.240 nan 0.000 0.438 70 I N 0.949 121.274 120.570 -0.408 0.000 2.163 70 I HA -0.080 4.090 4.170 -0.000 0.000 0.240 70 I C 2.937 178.758 176.117 -0.492 0.000 1.081 70 I CA 1.341 62.333 61.300 -0.513 0.000 1.353 70 I CB -0.918 36.597 38.000 -0.809 0.000 1.054 70 I HN 0.312 nan 8.210 nan 0.000 0.407 71 G N 1.465 110.041 108.800 -0.375 0.000 2.553 71 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 71 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 71 G C 1.667 176.638 174.900 0.119 0.000 1.195 71 G CA 0.808 45.875 45.100 -0.054 0.000 0.779 71 G HN 0.241 nan 8.290 nan 0.000 0.577 72 I N -0.279 120.238 120.570 -0.090 0.000 2.145 72 I HA -0.190 3.980 4.170 -0.000 0.000 0.244 72 I C 2.461 178.660 176.117 0.137 0.000 1.075 72 I CA 1.475 62.760 61.300 -0.025 0.000 1.332 72 I CB -0.749 37.056 38.000 -0.325 0.000 1.033 72 I HN 0.513 nan 8.210 nan 0.000 0.410 73 W N 0.999 122.264 121.300 -0.058 0.000 2.335 73 W HA -0.320 4.340 4.660 -0.000 0.000 0.311 73 W C 2.492 179.147 176.519 0.226 0.000 1.213 73 W CA 1.277 58.668 57.345 0.076 0.000 1.274 73 W CB -0.421 29.101 29.460 0.104 0.000 1.148 73 W HN 0.040 nan 8.180 nan 0.000 0.498 74 F N -0.503 119.397 119.950 -0.083 0.000 2.102 74 F HA -0.162 4.365 4.527 -0.000 0.000 0.298 74 F C 2.117 177.510 175.800 -0.678 0.000 1.105 74 F CA 1.127 58.818 58.000 -0.514 0.000 1.239 74 F CB -1.786 37.017 39.000 -0.328 0.000 0.991 74 F HN -0.070 nan 8.300 nan 0.000 0.474 75 W N -0.961 120.292 121.300 -0.079 0.000 2.338 75 W HA -0.271 4.388 4.660 -0.000 0.000 0.304 75 W C 2.690 178.681 176.519 -0.880 0.000 1.212 75 W CA 2.062 59.224 57.345 -0.307 0.000 1.264 75 W CB -1.184 28.147 29.460 -0.215 0.000 1.142 75 W HN 0.119 nan 8.180 nan 0.000 0.512 76 Y N 0.974 120.704 120.300 -0.950 0.000 2.097 76 Y HA -0.335 4.215 4.550 -0.000 0.000 0.282 76 Y C 2.464 177.798 175.900 -0.943 0.000 1.152 76 Y CA 2.414 59.724 58.100 -1.317 0.000 1.136 76 Y CB -0.896 37.087 38.460 -0.794 0.000 0.975 76 Y HN -0.021 nan 8.280 nan 0.000 0.498 77 Q N -0.262 119.059 119.800 -0.798 0.000 2.181 77 Q HA -0.185 4.155 4.340 -0.000 0.000 0.205 77 Q C 2.123 177.871 176.000 -0.420 0.000 0.980 77 Q CA 1.180 56.598 55.803 -0.641 0.000 0.862 77 Q CB -0.324 28.152 28.738 -0.437 0.000 0.905 77 Q HN 0.636 nan 8.270 nan 0.000 0.429 78 A N -0.167 122.330 122.820 -0.538 0.000 2.235 78 A HA 0.201 4.521 4.320 -0.000 0.000 0.208 78 A C 1.377 178.801 177.584 -0.267 0.000 1.172 78 A CA 0.734 52.624 52.037 -0.244 0.000 0.786 78 A CB -0.493 18.370 19.000 -0.229 0.000 0.804 78 A HN 0.462 nan 8.150 nan 0.000 0.479 79 G N -2.560 105.935 108.800 -0.508 0.000 2.249 79 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.273 79 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.273 79 G C 0.400 175.230 174.900 -0.116 0.000 1.036 79 G CA 0.476 45.340 45.100 -0.393 0.000 0.824 79 G HN 1.163 nan 8.290 nan 0.000 0.504 80 W N -2.590 118.757 121.300 0.079 0.000 1.839 80 W HA -0.227 4.433 4.660 -0.000 0.000 0.248 80 W C 0.850 177.556 176.519 0.313 0.000 0.999 80 W CA 0.348 57.843 57.345 0.250 0.000 0.444 80 W CB -1.718 27.816 29.460 0.123 0.000 2.008 80 W HN 0.601 nan 8.180 nan 0.000 1.324 81 N N 2.100 120.968 118.700 0.279 0.000 2.420 81 N HA 0.093 4.832 4.740 -0.000 0.000 0.262 81 N C -1.143 174.448 175.510 0.136 0.000 1.144 81 N CA -0.864 52.310 53.050 0.208 0.000 0.952 81 N CB 1.233 39.780 38.487 0.100 0.000 1.081 81 N HN -0.145 nan 8.380 nan 0.000 0.480 82 P HA -0.041 nan 4.420 nan 0.000 0.218 82 P C 0.822 178.152 177.300 0.049 0.000 1.149 82 P CA 0.889 64.035 63.100 0.077 0.000 0.817 82 P CB 0.223 32.099 31.700 0.294 0.000 0.785 83 A N -0.302 122.555 122.820 0.062 0.000 1.877 83 A HA -0.162 4.157 4.320 -0.000 0.000 0.216 83 A C 2.322 179.907 177.584 0.001 0.000 1.186 83 A CA 1.994 54.048 52.037 0.030 0.000 0.620 83 A CB -1.716 17.298 19.000 0.024 0.000 0.822 83 A HN 0.044 nan 8.150 nan 0.000 0.443 84 V N -1.290 118.626 119.914 0.002 0.000 2.358 84 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 84 V C 2.284 178.410 176.094 0.052 0.000 1.047 84 V CA 2.007 64.301 62.300 -0.010 0.000 1.035 84 V CB -1.039 30.785 31.823 0.002 0.000 0.658 84 V HN 0.611 nan 8.190 nan 0.000 0.452 85 F N 0.128 119.975 119.950 -0.171 0.000 2.120 85 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 85 F C 2.032 177.786 175.800 -0.076 0.000 1.095 85 F CA 1.763 59.606 58.000 -0.261 0.000 1.249 85 F CB -0.129 38.281 39.000 -0.983 0.000 0.995 85 F HN 0.091 nan 8.300 nan 0.000 0.480 86 L N 0.400 121.643 121.223 0.032 0.000 2.131 86 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 86 L C 2.555 179.349 176.870 -0.127 0.000 1.087 86 L CA 1.446 56.273 54.840 -0.022 0.000 0.767 86 L CB -0.951 41.135 42.059 0.045 0.000 0.917 86 L HN 0.104 nan 8.230 nan 0.000 0.441 87 R N -0.501 119.922 120.500 -0.129 0.000 2.062 87 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 87 R C 0.884 177.005 176.300 -0.299 0.000 1.136 87 R CA 1.818 57.803 56.100 -0.192 0.000 0.948 87 R CB -0.089 30.103 30.300 -0.180 0.000 0.845 87 R HN 0.266 nan 8.270 nan 0.000 0.430 88 D N 0.707 120.865 120.400 -0.404 0.000 2.328 88 D HA -0.028 4.611 4.640 -0.000 0.000 0.221 88 D C 1.427 177.275 176.300 -0.754 0.000 1.072 88 D CA -0.039 53.523 54.000 -0.731 0.000 0.850 88 D CB 0.242 40.393 40.800 -1.082 0.000 0.922 88 D HN 0.126 nan 8.370 nan 0.000 0.516 89 L N 0.080 121.103 121.223 -0.335 0.000 2.064 89 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 89 L C 1.467 178.338 176.870 0.001 0.000 1.077 89 L CA 1.663 56.424 54.840 -0.133 0.000 0.766 89 L CB -0.421 41.558 42.059 -0.133 0.000 0.890 89 L HN -0.011 nan 8.230 nan 0.000 0.435 90 F N -1.850 117.851 119.950 -0.415 0.000 2.780 90 F HA 0.056 4.583 4.527 -0.000 0.000 0.299 90 F C 1.795 177.042 175.800 -0.922 0.000 1.146 90 F CA 0.250 57.759 58.000 -0.820 0.000 1.428 90 F CB -0.813 37.313 39.000 -1.457 0.000 1.115 90 F HN 0.075 nan 8.300 nan 0.000 0.583 91 F N -2.253 117.374 119.950 -0.537 0.000 2.656 91 F HA 0.135 4.662 4.527 -0.000 0.000 0.291 91 F C 0.775 176.320 175.800 -0.424 0.000 1.122 91 F CA -0.483 57.291 58.000 -0.377 0.000 1.427 91 F CB -0.354 38.411 39.000 -0.392 0.000 1.125 91 F HN -0.360 nan 8.300 nan 0.000 0.583 92 F N 0.915 120.659 119.950 -0.344 0.000 2.545 92 F HA 0.315 4.842 4.527 -0.000 0.000 0.348 92 F C 0.690 176.194 175.800 -0.493 0.000 1.163 92 F CA -0.277 57.316 58.000 -0.679 0.000 1.331 92 F CB 0.445 38.451 39.000 -1.657 0.000 1.138 92 F HN -0.319 nan 8.300 nan 0.000 0.602 93 S N 2.578 118.404 115.700 0.209 0.000 2.592 93 S HA 0.457 4.926 4.470 -0.000 0.000 0.275 93 S C -1.780 173.260 174.600 0.732 0.000 1.169 93 S CA -0.744 57.761 58.200 0.508 0.000 0.958 93 S CB 0.677 64.072 63.200 0.325 0.000 1.095 93 S HN 0.537 nan 8.310 nan 0.000 0.471 94 L N 4.945 126.596 121.223 0.713 0.000 2.283 94 L HA 0.593 4.932 4.340 -0.000 0.000 0.287 94 L C -0.303 176.763 176.870 0.326 0.000 1.073 94 L CA 0.456 55.482 54.840 0.310 0.000 0.822 94 L CB 0.608 42.827 42.059 0.266 0.000 1.186 94 L HN 0.628 nan 8.230 nan 0.000 0.436 95 E N 6.907 127.185 120.200 0.129 0.000 2.191 95 E HA 0.480 4.829 4.350 -0.000 0.000 0.274 95 E C -2.459 174.013 176.600 -0.215 0.000 0.948 95 E CA -1.931 54.486 56.400 0.029 0.000 0.802 95 E CB 1.232 30.960 29.700 0.046 0.000 1.137 95 E HN 0.424 nan 8.360 nan 0.000 0.397 96 P HA 0.192 nan 4.420 nan 0.000 0.273 96 P C -2.529 174.485 177.300 -0.477 0.000 1.250 96 P CA -1.392 60.980 63.100 -1.212 0.000 0.793 96 P CB -0.636 30.029 31.700 -1.725 0.000 1.011 97 P HA 0.033 nan 4.420 nan 0.000 0.268 97 P C -0.031 177.257 177.300 -0.021 0.000 1.208 97 P CA 0.330 63.352 63.100 -0.130 0.000 0.777 97 P CB 0.003 31.692 31.700 -0.018 0.000 0.875 98 A N 4.979 127.857 122.820 0.097 0.000 2.455 98 A HA 0.170 4.490 4.320 -0.000 0.000 0.244 98 A C -1.230 176.444 177.584 0.150 0.000 1.099 98 A CA -0.495 51.626 52.037 0.140 0.000 0.786 98 A CB -1.245 17.877 19.000 0.202 0.000 1.051 98 A HN 0.433 nan 8.150 nan 0.000 0.508 99 P HA -0.075 nan 4.420 nan 0.000 0.222 99 P C 0.615 177.942 177.300 0.046 0.000 1.147 99 P CA 1.289 64.419 63.100 0.050 0.000 0.790 99 P CB 0.085 31.795 31.700 0.017 0.000 0.780 100 E N -1.790 118.437 120.200 0.046 0.000 2.268 100 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 100 E C 1.019 177.546 176.600 -0.122 0.000 0.995 100 E CA 1.017 57.381 56.400 -0.060 0.000 0.836 100 E CB -0.747 28.877 29.700 -0.127 0.000 0.763 100 E HN 0.449 nan 8.360 nan 0.000 0.491 101 Y N -0.275 120.041 120.300 0.028 0.000 2.462 101 Y HA 0.209 4.759 4.550 -0.000 0.000 0.261 101 Y C 1.748 177.671 175.900 0.038 0.000 1.146 101 Y CA 0.154 58.285 58.100 0.051 0.000 1.283 101 Y CB 0.140 38.658 38.460 0.096 0.000 1.090 101 Y HN 0.089 nan 8.280 nan 0.000 0.526 102 G N 1.112 109.978 108.800 0.110 0.000 2.661 102 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.327 102 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.327 102 G C 0.701 175.555 174.900 -0.076 0.000 1.320 102 G CA 0.879 45.972 45.100 -0.011 0.000 0.997 102 G HN 0.288 nan 8.290 nan 0.000 0.543 103 L N 1.786 122.880 121.223 -0.216 0.000 2.611 103 L HA 0.344 4.684 4.340 -0.000 0.000 0.229 103 L C 1.835 178.645 176.870 -0.100 0.000 1.137 103 L CA 0.625 55.169 54.840 -0.493 0.000 0.901 103 L CB 0.040 41.763 42.059 -0.560 0.000 1.098 103 L HN 0.646 nan 8.230 nan 0.000 0.456 104 S N -0.754 114.996 115.700 0.083 0.000 2.585 104 S HA 0.115 4.585 4.470 -0.000 0.000 0.273 104 S C 0.442 175.261 174.600 0.364 0.000 1.339 104 S CA -0.294 57.974 58.200 0.113 0.000 1.028 104 S CB 0.534 63.825 63.200 0.153 0.000 0.906 104 S HN 0.155 nan 8.310 nan 0.000 0.528 105 F N 1.397 121.499 119.950 0.254 0.000 2.664 105 F HA 0.412 4.939 4.527 -0.000 0.000 0.301 105 F C 1.754 177.614 175.800 0.101 0.000 1.126 105 F CA -0.809 57.289 58.000 0.164 0.000 1.373 105 F CB -1.131 37.927 39.000 0.097 0.000 1.042 105 F HN 0.768 nan 8.300 nan 0.000 0.535 106 A N -0.074 122.923 122.820 0.295 0.000 2.327 106 A HA 0.606 4.926 4.320 -0.000 0.000 0.228 106 A C 1.119 178.810 177.584 0.178 0.000 1.275 106 A CA 0.265 52.442 52.037 0.233 0.000 0.875 106 A CB -0.852 18.296 19.000 0.247 0.000 0.925 106 A HN 0.127 nan 8.150 nan 0.000 0.493 107 A N 0.870 123.683 122.820 -0.011 0.000 2.317 107 A HA 0.687 5.007 4.320 -0.000 0.000 0.327 107 A C -2.827 174.622 177.584 -0.226 0.000 1.178 107 A CA -1.896 49.881 52.037 -0.434 0.000 0.817 107 A CB 0.351 18.780 19.000 -0.953 0.000 1.189 107 A HN 0.155 nan 8.150 nan 0.000 0.489 108 P HA 0.091 nan 4.420 nan 0.000 0.263 108 P C 1.168 178.420 177.300 -0.080 0.000 1.195 108 P CA -0.050 63.014 63.100 -0.061 0.000 0.762 108 P CB 0.370 32.070 31.700 0.000 0.000 0.799 109 L N 2.296 123.488 121.223 -0.053 0.000 2.143 109 L HA -0.344 3.995 4.340 -0.000 0.000 0.231 109 L C 2.196 178.993 176.870 -0.121 0.000 1.106 109 L CA 2.033 56.833 54.840 -0.068 0.000 0.827 109 L CB -0.653 41.395 42.059 -0.018 0.000 0.915 109 L HN 0.496 nan 8.230 nan 0.000 0.448 110 K N -0.526 119.849 120.400 -0.041 0.000 2.288 110 K HA -0.085 4.235 4.320 -0.000 0.000 0.201 110 K C 0.254 176.810 176.600 -0.072 0.000 1.048 110 K CA 0.914 57.214 56.287 0.022 0.000 0.956 110 K CB 0.130 32.747 32.500 0.195 0.000 0.746 110 K HN 0.431 nan 8.250 nan 0.000 0.461 111 E N -0.963 119.180 120.200 -0.094 0.000 4.044 111 E HA 0.190 4.540 4.350 -0.000 0.000 0.216 111 E C 0.061 176.554 176.600 -0.178 0.000 1.104 111 E CA -0.210 56.135 56.400 -0.091 0.000 1.383 111 E CB 1.456 31.155 29.700 -0.002 0.000 1.195 111 E HN 0.309 nan 8.360 nan 0.000 0.442 112 G N 0.047 108.731 108.800 -0.193 0.000 3.033 112 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.196 112 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.196 112 G C 1.165 176.033 174.900 -0.053 0.000 1.078 112 G CA -0.132 44.886 45.100 -0.136 0.000 0.805 112 G HN 0.442 nan 8.290 nan 0.000 0.472 113 G N 1.179 109.913 108.800 -0.110 0.000 2.446 113 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.217 113 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.217 113 G C 1.735 176.584 174.900 -0.086 0.000 1.168 113 G CA 1.536 46.585 45.100 -0.086 0.000 0.771 113 G HN 0.480 nan 8.290 nan 0.000 0.551 114 L N -0.639 120.512 121.223 -0.121 0.000 2.127 114 L HA -0.028 4.311 4.340 -0.000 0.000 0.211 114 L C 2.304 179.130 176.870 -0.072 0.000 1.089 114 L CA 1.199 55.962 54.840 -0.128 0.000 0.757 114 L CB -1.206 40.712 42.059 -0.235 0.000 0.899 114 L HN 0.593 nan 8.230 nan 0.000 0.434 115 W N 0.234 121.418 121.300 -0.194 0.000 2.379 115 W HA -0.197 4.463 4.660 -0.000 0.000 0.307 115 W C 2.388 178.875 176.519 -0.053 0.000 1.200 115 W CA 1.280 58.591 57.345 -0.058 0.000 1.297 115 W CB -0.140 29.270 29.460 -0.084 0.000 1.140 115 W HN 0.017 nan 8.180 nan 0.000 0.507 116 L N 0.174 121.433 121.223 0.059 0.000 2.027 116 L HA -0.227 4.112 4.340 -0.000 0.000 0.206 116 L C 2.452 179.125 176.870 -0.328 0.000 1.074 116 L CA 1.508 56.204 54.840 -0.240 0.000 0.745 116 L CB -0.991 40.924 42.059 -0.240 0.000 0.898 116 L HN 0.002 nan 8.230 nan 0.000 0.433 117 I N 0.123 120.546 120.570 -0.246 0.000 2.113 117 I HA -0.383 3.787 4.170 -0.000 0.000 0.242 117 I C 2.817 178.872 176.117 -0.104 0.000 1.064 117 I CA 1.573 62.732 61.300 -0.236 0.000 1.320 117 I CB -0.556 37.374 38.000 -0.117 0.000 1.028 117 I HN 0.244 nan 8.210 nan 0.000 0.406 118 A N 0.040 122.820 122.820 -0.067 0.000 1.902 118 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 118 A C 2.475 180.016 177.584 -0.072 0.000 1.181 118 A CA 2.312 54.356 52.037 0.011 0.000 0.623 118 A CB -0.801 18.019 19.000 -0.301 0.000 0.818 118 A HN 0.444 nan 8.150 nan 0.000 0.443 119 S N -0.834 114.686 115.700 -0.300 0.000 2.356 119 S HA -0.151 4.318 4.470 -0.000 0.000 0.223 119 S C 1.659 176.280 174.600 0.035 0.000 1.032 119 S CA 1.402 59.482 58.200 -0.199 0.000 1.005 119 S CB -0.626 62.153 63.200 -0.702 0.000 0.867 119 S HN 0.646 nan 8.310 nan 0.000 0.449 120 F N 2.163 121.978 119.950 -0.226 0.000 2.043 120 F HA -0.217 4.309 4.527 -0.000 0.000 0.297 120 F C 1.790 177.547 175.800 -0.071 0.000 1.121 120 F CA 1.496 59.355 58.000 -0.235 0.000 1.199 120 F CB -0.587 38.127 39.000 -0.475 0.000 0.968 120 F HN 0.105 nan 8.300 nan 0.000 0.478 121 F N 0.081 120.031 119.950 0.001 0.000 2.202 121 F HA -0.230 4.297 4.527 -0.000 0.000 0.301 121 F C 2.614 178.262 175.800 -0.254 0.000 1.082 121 F CA 1.727 59.667 58.000 -0.101 0.000 1.313 121 F CB -0.963 38.076 39.000 0.064 0.000 1.024 121 F HN 0.123 nan 8.300 nan 0.000 0.495 122 M N -1.457 118.032 119.600 -0.186 0.000 2.193 122 M HA -0.168 4.312 4.480 -0.000 0.000 0.265 122 M C 2.315 178.505 176.300 -0.184 0.000 1.071 122 M CA 1.458 56.440 55.300 -0.530 0.000 1.140 122 M CB -0.409 31.615 32.600 -0.961 0.000 1.369 122 M HN 0.167 nan 8.290 nan 0.000 0.423 123 F N 0.531 120.442 119.950 -0.066 0.000 2.091 123 F HA -0.251 4.275 4.527 -0.000 0.000 0.299 123 F C 1.803 177.608 175.800 0.008 0.000 1.103 123 F CA 1.911 59.951 58.000 0.067 0.000 1.228 123 F CB -0.321 38.544 39.000 -0.224 0.000 0.984 123 F HN -0.081 nan 8.300 nan 0.000 0.477 124 V N 0.448 120.386 119.914 0.040 0.000 2.407 124 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 124 V C 2.672 178.776 176.094 0.017 0.000 1.055 124 V CA 1.670 63.969 62.300 -0.002 0.000 1.049 124 V CB -1.552 30.174 31.823 -0.163 0.000 0.662 124 V HN 0.514 nan 8.190 nan 0.000 0.455 125 A N -0.121 122.661 122.820 -0.063 0.000 1.873 125 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 125 A C 2.385 179.929 177.584 -0.066 0.000 1.186 125 A CA 2.083 54.084 52.037 -0.060 0.000 0.616 125 A CB -0.622 18.262 19.000 -0.194 0.000 0.823 125 A HN 0.333 nan 8.150 nan 0.000 0.442 126 V N -2.212 117.525 119.914 -0.295 0.000 2.270 126 V HA -0.265 3.854 4.120 -0.000 0.000 0.245 126 V C 2.282 178.252 176.094 -0.206 0.000 1.043 126 V CA 1.720 63.767 62.300 -0.423 0.000 1.014 126 V CB -1.178 29.956 31.823 -1.147 0.000 0.645 126 V HN 0.778 nan 8.190 nan 0.000 0.447 127 W N 0.464 121.649 121.300 -0.191 0.000 2.335 127 W HA -0.183 4.477 4.660 -0.000 0.000 0.311 127 W C 2.932 179.520 176.519 0.115 0.000 1.213 127 W CA 1.644 58.927 57.345 -0.104 0.000 1.274 127 W CB -0.583 28.683 29.460 -0.323 0.000 1.148 127 W HN 0.086 nan 8.180 nan 0.000 0.498 128 S N -0.555 115.322 115.700 0.295 0.000 2.359 128 S HA -0.282 4.188 4.470 -0.000 0.000 0.222 128 S C 1.484 176.239 174.600 0.259 0.000 1.038 128 S CA 1.486 59.836 58.200 0.249 0.000 1.051 128 S CB -1.093 62.232 63.200 0.208 0.000 0.944 128 S HN 0.419 nan 8.310 nan 0.000 0.433 129 W N 0.441 121.811 121.300 0.118 0.000 2.325 129 W HA -0.215 4.445 4.660 -0.000 0.000 0.299 129 W C 1.991 178.657 176.519 0.246 0.000 1.215 129 W CA 1.364 58.788 57.345 0.131 0.000 1.244 129 W CB -0.515 29.007 29.460 0.103 0.000 1.140 129 W HN 0.483 nan 8.180 nan 0.000 0.523 130 W N 1.250 122.750 121.300 0.333 0.000 2.333 130 W HA -0.140 4.519 4.660 -0.000 0.000 0.316 130 W C 2.580 179.167 176.519 0.114 0.000 1.215 130 W CA 3.444 60.946 57.345 0.261 0.000 1.278 130 W CB -0.986 28.492 29.460 0.030 0.000 1.154 130 W HN -0.117 nan 8.180 nan 0.000 0.486 131 G N 0.149 109.019 108.800 0.117 0.000 2.442 131 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 131 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 131 G C 1.641 176.381 174.900 -0.267 0.000 1.141 131 G CA 1.083 46.096 45.100 -0.144 0.000 0.763 131 G HN 0.285 nan 8.290 nan 0.000 0.554 132 R N 0.010 120.350 120.500 -0.266 0.000 2.083 132 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 132 R C 3.097 179.137 176.300 -0.435 0.000 1.137 132 R CA 2.036 57.902 56.100 -0.390 0.000 0.951 132 R CB -0.532 29.376 30.300 -0.654 0.000 0.851 132 R HN 0.551 nan 8.270 nan 0.000 0.434 133 T N -2.269 112.010 114.554 -0.457 0.000 2.833 133 T HA -0.195 4.154 4.350 -0.000 0.000 0.269 133 T C 1.779 176.212 174.700 -0.444 0.000 1.054 133 T CA 1.128 62.980 62.100 -0.414 0.000 1.135 133 T CB -0.496 68.198 68.868 -0.290 0.000 0.869 133 T HN 0.312 nan 8.240 nan 0.000 0.466 134 Y N 1.868 121.752 120.300 -0.693 0.000 2.153 134 Y HA 0.171 4.721 4.550 -0.000 0.000 0.289 134 Y C 2.214 177.852 175.900 -0.438 0.000 1.127 134 Y CA 1.074 58.782 58.100 -0.654 0.000 1.131 134 Y CB -0.375 37.580 38.460 -0.841 0.000 0.995 134 Y HN 0.118 nan 8.280 nan 0.000 0.505 135 L N -0.392 120.745 121.223 -0.144 0.000 2.083 135 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 135 L C 2.481 179.193 176.870 -0.263 0.000 1.083 135 L CA 1.024 55.780 54.840 -0.141 0.000 0.752 135 L CB -0.495 41.481 42.059 -0.138 0.000 0.899 135 L HN 0.114 nan 8.230 nan 0.000 0.433 136 R N 0.206 120.510 120.500 -0.328 0.000 2.115 136 R HA -0.033 4.307 4.340 -0.000 0.000 0.230 136 R C 2.303 178.420 176.300 -0.304 0.000 1.111 136 R CA 1.303 57.189 56.100 -0.357 0.000 0.976 136 R CB -0.951 29.139 30.300 -0.350 0.000 0.870 136 R HN 0.356 nan 8.270 nan 0.000 0.445 137 A N 1.150 123.777 122.820 -0.322 0.000 1.858 137 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 137 A C 2.234 179.646 177.584 -0.288 0.000 1.190 137 A CA 1.651 53.500 52.037 -0.313 0.000 0.617 137 A CB -0.592 18.161 19.000 -0.411 0.000 0.827 137 A HN 0.397 nan 8.150 nan 0.000 0.443 138 Q N -0.499 119.107 119.800 -0.323 0.000 2.077 138 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 138 Q C 2.079 177.978 176.000 -0.168 0.000 0.989 138 Q CA 2.072 57.736 55.803 -0.232 0.000 0.853 138 Q CB -0.396 28.256 28.738 -0.144 0.000 0.907 138 Q HN 0.592 nan 8.270 nan 0.000 0.418 139 A N 0.052 122.758 122.820 -0.189 0.000 2.067 139 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 139 A C 1.800 179.298 177.584 -0.144 0.000 1.158 139 A CA 0.901 52.837 52.037 -0.167 0.000 0.661 139 A CB -0.266 18.593 19.000 -0.234 0.000 0.801 139 A HN 0.468 nan 8.150 nan 0.000 0.452 140 L N -1.779 119.351 121.223 -0.155 0.000 2.585 140 L HA 0.244 4.583 4.340 -0.000 0.000 0.226 140 L C 1.594 178.403 176.870 -0.103 0.000 1.113 140 L CA 0.557 55.323 54.840 -0.124 0.000 0.876 140 L CB 0.134 42.112 42.059 -0.134 0.000 1.072 140 L HN 0.534 nan 8.230 nan 0.000 0.468 141 G N 0.198 108.932 108.800 -0.109 0.000 2.136 141 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 141 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 141 G C 0.182 175.029 174.900 -0.089 0.000 0.989 141 G CA 0.106 45.154 45.100 -0.087 0.000 0.682 141 G HN 0.230 nan 8.290 nan 0.000 0.522 142 M N 0.325 119.855 119.600 -0.118 0.000 2.494 142 M HA 0.586 5.065 4.480 -0.000 0.000 0.300 142 M C 1.352 177.589 176.300 -0.105 0.000 1.189 142 M CA -0.108 55.132 55.300 -0.101 0.000 0.982 142 M CB 0.862 33.392 32.600 -0.117 0.000 1.534 142 M HN 0.204 nan 8.290 nan 0.000 0.488 143 G N 0.454 109.246 108.800 -0.014 0.000 2.667 143 G HA2 0.159 4.119 3.960 -0.000 0.000 0.250 143 G HA3 0.159 4.119 3.960 -0.000 0.000 0.250 143 G C 0.271 175.140 174.900 -0.052 0.000 1.212 143 G CA -0.497 44.641 45.100 0.063 0.000 0.874 143 G HN 0.633 nan 8.290 nan 0.000 0.561 144 K N -0.369 119.913 120.400 -0.197 0.000 2.397 144 K HA 0.111 4.431 4.320 -0.000 0.000 0.202 144 K C 1.568 177.917 176.600 -0.420 0.000 1.022 144 K CA -0.053 55.937 56.287 -0.496 0.000 1.141 144 K CB -0.016 32.046 32.500 -0.730 0.000 0.857 144 K HN 0.622 nan 8.250 nan 0.000 0.514 145 H N 0.698 119.702 119.070 -0.111 0.000 2.321 145 H HA -0.130 4.426 4.556 -0.000 0.000 0.295 145 H C 1.779 177.075 175.328 -0.054 0.000 1.102 145 H CA 2.273 58.325 56.048 0.005 0.000 1.266 145 H CB -0.723 29.030 29.762 -0.015 0.000 1.363 145 H HN 0.064 nan 8.280 nan 0.000 0.492 146 T N 0.548 115.109 114.554 0.012 0.000 2.607 146 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 146 T C 2.429 177.116 174.700 -0.021 0.000 1.049 146 T CA 1.729 63.809 62.100 -0.034 0.000 1.162 146 T CB -0.765 68.039 68.868 -0.107 0.000 0.863 146 T HN 0.558 nan 8.240 nan 0.000 0.424 147 A N 0.554 123.241 122.820 -0.221 0.000 1.917 147 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 147 A C 2.170 179.852 177.584 0.163 0.000 1.182 147 A CA 1.848 53.742 52.037 -0.238 0.000 0.633 147 A CB -1.313 17.215 19.000 -0.787 0.000 0.819 147 A HN 0.770 nan 8.150 nan 0.000 0.448 148 W N -0.604 120.839 121.300 0.237 0.000 2.381 148 W HA 0.024 4.684 4.660 -0.000 0.000 0.301 148 W C 2.801 179.400 176.519 0.133 0.000 1.205 148 W CA 0.599 58.060 57.345 0.192 0.000 1.285 148 W CB -0.199 29.287 29.460 0.042 0.000 1.133 148 W HN 0.400 nan 8.180 nan 0.000 0.521 149 A N 0.455 123.440 122.820 0.276 0.000 1.883 149 A HA -0.259 4.060 4.320 -0.000 0.000 0.217 149 A C 1.809 179.559 177.584 0.277 0.000 1.186 149 A CA 1.552 53.689 52.037 0.166 0.000 0.624 149 A CB -1.291 17.760 19.000 0.085 0.000 0.822 149 A HN 0.326 nan 8.150 nan 0.000 0.444 150 F N 0.274 120.316 119.950 0.154 0.000 2.126 150 F HA -0.165 4.361 4.527 -0.000 0.000 0.299 150 F C 1.849 177.763 175.800 0.190 0.000 1.096 150 F CA 1.391 59.496 58.000 0.175 0.000 1.255 150 F CB -0.846 38.295 39.000 0.235 0.000 0.997 150 F HN 0.167 nan 8.300 nan 0.000 0.479 151 L N -0.085 121.314 121.223 0.293 0.000 2.081 151 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 151 L C 2.837 179.764 176.870 0.096 0.000 1.080 151 L CA 2.094 56.967 54.840 0.055 0.000 0.754 151 L CB -1.451 40.758 42.059 0.250 0.000 0.893 151 L HN 0.274 nan 8.230 nan 0.000 0.433 152 S N -1.416 114.378 115.700 0.157 0.000 2.370 152 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 152 S C 2.125 176.867 174.600 0.238 0.000 1.033 152 S CA 1.333 59.639 58.200 0.177 0.000 1.011 152 S CB -0.282 62.988 63.200 0.117 0.000 0.852 152 S HN 0.592 nan 8.310 nan 0.000 0.457 153 A N 1.276 124.216 122.820 0.200 0.000 1.873 153 A HA 0.017 4.336 4.320 -0.000 0.000 0.215 153 A C 2.108 179.777 177.584 0.141 0.000 1.186 153 A CA 1.479 53.629 52.037 0.188 0.000 0.616 153 A CB -0.840 18.310 19.000 0.249 0.000 0.823 153 A HN 0.602 nan 8.150 nan 0.000 0.442 154 I N -1.139 119.419 120.570 -0.021 0.000 2.315 154 I HA -0.306 3.863 4.170 -0.000 0.000 0.251 154 I C 2.470 178.704 176.117 0.195 0.000 1.125 154 I CA 1.496 62.745 61.300 -0.084 0.000 1.392 154 I CB -0.275 37.342 38.000 -0.638 0.000 1.065 154 I HN 0.775 nan 8.210 nan 0.000 0.424 155 W N 1.540 122.840 121.300 -0.000 0.000 2.354 155 W HA -0.282 4.378 4.660 -0.000 0.000 0.315 155 W C 2.328 178.882 176.519 0.059 0.000 1.206 155 W CA 1.048 58.412 57.345 0.032 0.000 1.290 155 W CB -0.306 29.169 29.460 0.025 0.000 1.152 155 W HN 0.140 nan 8.180 nan 0.000 0.489 156 L N 1.264 122.438 121.223 -0.083 0.000 2.042 156 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 156 L C 2.271 179.076 176.870 -0.109 0.000 1.076 156 L CA 2.765 57.471 54.840 -0.223 0.000 0.749 156 L CB -1.645 40.410 42.059 -0.006 0.000 0.893 156 L HN 0.288 nan 8.230 nan 0.000 0.432 157 W N -0.158 121.066 121.300 -0.126 0.000 2.378 157 W HA -0.202 4.458 4.660 -0.000 0.000 0.313 157 W C 2.259 178.770 176.519 -0.013 0.000 1.197 157 W CA 1.725 59.021 57.345 -0.083 0.000 1.304 157 W CB -0.358 29.040 29.460 -0.104 0.000 1.148 157 W HN 0.058 nan 8.180 nan 0.000 0.494 158 M N 0.544 119.918 119.600 -0.377 0.000 2.108 158 M HA -0.202 4.278 4.480 -0.000 0.000 0.261 158 M C 1.888 178.042 176.300 -0.244 0.000 1.066 158 M CA 1.638 56.683 55.300 -0.425 0.000 1.107 158 M CB -1.530 31.000 32.600 -0.117 0.000 1.356 158 M HN 0.027 nan 8.290 nan 0.000 0.406 159 V N 0.618 120.309 119.914 -0.372 0.000 2.295 159 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 159 V C 2.503 178.481 176.094 -0.193 0.000 1.049 159 V CA 1.575 63.650 62.300 -0.375 0.000 1.024 159 V CB -0.706 30.714 31.823 -0.671 0.000 0.648 159 V HN 0.404 nan 8.190 nan 0.000 0.447 160 L N 0.212 121.316 121.223 -0.198 0.000 2.012 160 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 160 L C 2.373 179.146 176.870 -0.161 0.000 1.073 160 L CA 1.950 56.707 54.840 -0.138 0.000 0.748 160 L CB -0.773 41.181 42.059 -0.174 0.000 0.891 160 L HN 0.495 nan 8.230 nan 0.000 0.431 161 G N -2.655 105.978 108.800 -0.278 0.000 2.833 161 G HA2 0.028 3.988 3.960 -0.000 0.000 0.210 161 G HA3 0.028 3.988 3.960 -0.000 0.000 0.210 161 G C 0.934 175.438 174.900 -0.660 0.000 1.139 161 G CA 0.027 44.847 45.100 -0.467 0.000 0.771 161 G HN 0.235 nan 8.290 nan 0.000 0.535 162 F N -0.853 119.100 119.950 0.004 0.000 2.455 162 F HA 0.395 4.922 4.527 -0.000 0.000 0.278 162 F C 2.102 177.963 175.800 0.101 0.000 0.887 162 F CA -0.298 57.795 58.000 0.155 0.000 1.104 162 F CB 0.044 39.082 39.000 0.063 0.000 0.949 162 F HN -0.066 nan 8.300 nan 0.000 0.750 163 I N 0.316 120.996 120.570 0.184 0.000 2.193 163 I HA -0.165 4.004 4.170 -0.000 0.000 0.240 163 I C 2.584 178.731 176.117 0.049 0.000 1.084 163 I CA 1.219 62.579 61.300 0.101 0.000 1.365 163 I CB -0.324 37.707 38.000 0.051 0.000 1.064 163 I HN 0.024 nan 8.210 nan 0.000 0.410 164 R N 1.081 121.596 120.500 0.024 0.000 2.083 164 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 164 R C -0.523 175.806 176.300 0.048 0.000 1.137 164 R CA 1.908 58.032 56.100 0.041 0.000 0.951 164 R CB -1.175 29.172 30.300 0.077 0.000 0.851 164 R HN 0.209 nan 8.270 nan 0.000 0.434 165 P HA -0.123 nan 4.420 nan 0.000 0.218 165 P C 1.080 178.306 177.300 -0.124 0.000 1.149 165 P CA 1.245 64.360 63.100 0.025 0.000 0.817 165 P CB -0.012 31.767 31.700 0.132 0.000 0.785 166 I N -1.163 119.334 120.570 -0.121 0.000 2.202 166 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 166 I C 2.148 178.189 176.117 -0.126 0.000 1.091 166 I CA 1.330 62.511 61.300 -0.199 0.000 1.368 166 I CB -0.540 37.406 38.000 -0.091 0.000 1.058 166 I HN -0.123 nan 8.210 nan 0.000 0.410 167 L N -0.117 121.073 121.223 -0.056 0.000 2.362 167 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 167 L C 2.172 179.015 176.870 -0.045 0.000 1.134 167 L CA 0.736 55.553 54.840 -0.039 0.000 0.807 167 L CB -0.308 41.746 42.059 -0.008 0.000 0.927 167 L HN 0.339 nan 8.230 nan 0.000 0.447 168 M N -1.042 118.528 119.600 -0.049 0.000 2.495 168 M HA 0.187 4.666 4.480 -0.000 0.000 0.237 168 M C 1.602 177.857 176.300 -0.075 0.000 1.131 168 M CA 0.885 56.160 55.300 -0.042 0.000 1.032 168 M CB 0.029 32.624 32.600 -0.008 0.000 1.513 168 M HN 0.392 nan 8.290 nan 0.000 0.488 169 G N 1.548 110.274 108.800 -0.123 0.000 2.195 169 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.246 169 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.246 169 G C 0.162 174.949 174.900 -0.189 0.000 0.984 169 G CA 0.463 45.474 45.100 -0.147 0.000 0.633 169 G HN 0.610 nan 8.290 nan 0.000 0.525 170 S N -1.843 113.738 115.700 -0.197 0.000 2.566 170 S HA 0.491 4.961 4.470 -0.000 0.000 0.273 170 S C 0.369 174.890 174.600 -0.131 0.000 1.157 170 S CA -0.066 58.031 58.200 -0.171 0.000 0.938 170 S CB 0.693 63.862 63.200 -0.052 0.000 1.087 170 S HN 0.384 nan 8.310 nan 0.000 0.474 171 W N 1.909 123.196 121.300 -0.021 0.000 2.341 171 W HA -0.178 4.482 4.660 -0.000 0.000 0.283 171 W C 2.748 179.085 176.519 -0.303 0.000 1.215 171 W CA 1.065 58.332 57.345 -0.129 0.000 1.211 171 W CB -0.168 29.230 29.460 -0.104 0.000 1.131 171 W HN 0.952 nan 8.180 nan 0.000 0.552 172 S N 0.166 115.875 115.700 0.016 0.000 2.440 172 S HA -0.222 4.248 4.470 -0.000 0.000 0.238 172 S C 1.466 176.081 174.600 0.025 0.000 1.010 172 S CA 1.382 59.554 58.200 -0.046 0.000 0.972 172 S CB -0.325 62.880 63.200 0.008 0.000 0.774 172 S HN 0.284 nan 8.310 nan 0.000 0.501 173 E N 1.429 121.681 120.200 0.086 0.000 2.482 173 E HA 0.291 4.641 4.350 -0.000 0.000 0.196 173 E C 0.968 177.791 176.600 0.372 0.000 1.047 173 E CA 0.480 57.010 56.400 0.218 0.000 0.869 173 E CB -0.082 29.718 29.700 0.167 0.000 0.836 173 E HN 0.743 nan 8.360 nan 0.000 0.520 174 A N 0.934 123.852 122.820 0.162 0.000 2.313 174 A HA 0.313 4.632 4.320 -0.000 0.000 0.261 174 A C 0.418 177.877 177.584 -0.208 0.000 1.090 174 A CA -0.469 51.592 52.037 0.041 0.000 0.807 174 A CB 0.639 19.688 19.000 0.083 0.000 1.055 174 A HN -0.041 nan 8.150 nan 0.000 0.492 175 V N 2.513 122.060 119.914 -0.612 0.000 2.583 175 V HA 0.305 4.425 4.120 -0.000 0.000 0.287 175 V C -1.828 174.042 176.094 -0.374 0.000 1.051 175 V CA -1.058 60.628 62.300 -1.023 0.000 1.010 175 V CB 0.754 31.924 31.823 -1.089 0.000 0.988 175 V HN 0.867 nan 8.190 nan 0.000 0.478 176 P HA 0.270 nan 4.420 nan 0.000 0.279 176 P C -1.475 175.795 177.300 -0.049 0.000 1.252 176 P CA -0.497 62.602 63.100 -0.002 0.000 0.811 176 P CB 0.585 32.350 31.700 0.109 0.000 1.035 177 Y N 0.404 120.880 120.300 0.293 0.000 2.425 177 Y HA 0.586 5.136 4.550 -0.000 0.000 0.347 177 Y C 1.337 177.425 175.900 0.313 0.000 0.976 177 Y CA 0.507 58.722 58.100 0.192 0.000 1.190 177 Y CB 0.573 39.080 38.460 0.079 0.000 1.136 177 Y HN 0.626 nan 8.280 nan 0.000 0.517 178 G N 2.671 111.687 108.800 0.360 0.000 2.443 178 G HA2 0.218 4.178 3.960 -0.000 0.000 0.303 178 G HA3 0.218 4.178 3.960 -0.000 0.000 0.303 178 G C -0.255 174.744 174.900 0.166 0.000 1.613 178 G CA -0.793 44.523 45.100 0.359 0.000 0.879 178 G HN 0.317 nan 8.290 nan 0.000 0.632 179 I N 1.225 121.803 120.570 0.014 0.000 2.141 179 I HA 0.035 4.205 4.170 -0.000 0.000 0.236 179 I C 2.493 178.717 176.117 0.178 0.000 1.071 179 I CA 1.268 62.499 61.300 -0.115 0.000 1.345 179 I CB -0.879 36.679 38.000 -0.736 0.000 1.066 179 I HN 0.478 nan 8.210 nan 0.000 0.406 180 F N 1.816 121.715 119.950 -0.085 0.000 2.206 180 F HA -0.110 4.416 4.527 -0.000 0.000 0.298 180 F C 2.987 178.796 175.800 0.015 0.000 1.090 180 F CA 1.071 59.017 58.000 -0.089 0.000 1.323 180 F CB -1.560 37.288 39.000 -0.253 0.000 1.028 180 F HN 0.175 nan 8.300 nan 0.000 0.492 181 S N -0.055 115.801 115.700 0.261 0.000 2.382 181 S HA -0.254 4.216 4.470 -0.000 0.000 0.228 181 S C 2.119 176.888 174.600 0.282 0.000 1.027 181 S CA 1.532 59.877 58.200 0.240 0.000 0.991 181 S CB -1.238 62.104 63.200 0.237 0.000 0.823 181 S HN 0.634 nan 8.310 nan 0.000 0.469 182 H N 2.179 121.341 119.070 0.152 0.000 2.495 182 H HA 0.155 4.711 4.556 -0.000 0.000 0.287 182 H C 1.868 177.315 175.328 0.199 0.000 1.033 182 H CA 1.205 57.339 56.048 0.144 0.000 1.307 182 H CB -0.553 29.238 29.762 0.047 0.000 1.401 182 H HN 0.451 nan 8.280 nan 0.000 0.555 183 L N 0.702 121.818 121.223 -0.179 0.000 2.072 183 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 183 L C 2.333 179.197 176.870 -0.011 0.000 1.079 183 L CA 1.210 55.944 54.840 -0.178 0.000 0.752 183 L CB -0.324 41.673 42.059 -0.103 0.000 0.906 183 L HN 0.141 nan 8.230 nan 0.000 0.436 184 D N -0.493 119.939 120.400 0.054 0.000 2.123 184 D HA -0.245 4.395 4.640 -0.000 0.000 0.196 184 D C 1.755 178.135 176.300 0.133 0.000 0.992 184 D CA 1.240 55.280 54.000 0.068 0.000 0.833 184 D CB -0.298 40.551 40.800 0.082 0.000 0.954 184 D HN 0.399 nan 8.370 nan 0.000 0.455 185 W N 1.861 123.178 121.300 0.029 0.000 2.318 185 W HA -0.255 4.405 4.660 -0.000 0.000 0.313 185 W C 2.375 178.938 176.519 0.074 0.000 1.221 185 W CA 2.467 59.851 57.345 0.065 0.000 1.266 185 W CB -0.508 29.001 29.460 0.082 0.000 1.150 185 W HN -0.130 nan 8.180 nan 0.000 0.496 186 T N 0.131 114.915 114.554 0.383 0.000 2.684 186 T HA -0.316 4.033 4.350 -0.000 0.000 0.267 186 T C 1.398 176.119 174.700 0.035 0.000 1.036 186 T CA 1.862 64.091 62.100 0.214 0.000 1.148 186 T CB -0.715 68.225 68.868 0.119 0.000 0.863 186 T HN 0.320 nan 8.240 nan 0.000 0.436 187 N N 1.881 120.585 118.700 0.006 0.000 2.142 187 N HA -0.120 4.620 4.740 -0.000 0.000 0.186 187 N C 1.755 177.232 175.510 -0.056 0.000 1.023 187 N CA 1.504 54.532 53.050 -0.038 0.000 0.852 187 N CB -0.392 38.068 38.487 -0.045 0.000 0.998 187 N HN 0.382 nan 8.380 nan 0.000 0.424 188 N N -0.476 118.179 118.700 -0.075 0.000 2.331 188 N HA -0.175 4.565 4.740 -0.000 0.000 0.180 188 N C 1.684 177.088 175.510 -0.177 0.000 1.019 188 N CA 0.484 53.461 53.050 -0.122 0.000 0.881 188 N CB -0.481 37.938 38.487 -0.114 0.000 0.972 188 N HN 0.301 nan 8.380 nan 0.000 0.435 189 F N 1.976 121.681 119.950 -0.409 0.000 2.065 189 F HA -0.221 4.305 4.527 -0.000 0.000 0.298 189 F C 2.969 178.715 175.800 -0.091 0.000 1.112 189 F CA 2.018 59.796 58.000 -0.369 0.000 1.212 189 F CB -0.781 37.858 39.000 -0.601 0.000 0.975 189 F HN 0.082 nan 8.300 nan 0.000 0.476 190 S N 0.170 115.979 115.700 0.182 0.000 2.356 190 S HA -0.193 4.277 4.470 -0.000 0.000 0.223 190 S C 2.139 176.736 174.600 -0.005 0.000 1.032 190 S CA 1.719 59.973 58.200 0.090 0.000 1.005 190 S CB -0.624 62.536 63.200 -0.068 0.000 0.867 190 S HN 0.419 nan 8.310 nan 0.000 0.449 191 L N 0.967 122.148 121.223 -0.070 0.000 2.017 191 L HA -0.057 4.282 4.340 -0.000 0.000 0.208 191 L C 2.531 179.317 176.870 -0.139 0.000 1.073 191 L CA 1.091 55.877 54.840 -0.089 0.000 0.745 191 L CB -0.712 41.290 42.059 -0.094 0.000 0.894 191 L HN 0.216 nan 8.230 nan 0.000 0.432 192 V N -0.896 118.862 119.914 -0.259 0.000 2.594 192 V HA -0.267 3.853 4.120 -0.000 0.000 0.253 192 V C 1.465 177.245 176.094 -0.523 0.000 1.069 192 V CA 1.668 63.714 62.300 -0.425 0.000 1.082 192 V CB -0.848 30.621 31.823 -0.590 0.000 0.680 192 V HN 0.507 nan 8.190 nan 0.000 0.469 193 H N -0.706 118.263 119.070 -0.169 0.000 2.505 193 H HA 0.441 4.997 4.556 -0.000 0.000 0.289 193 H C 1.510 176.911 175.328 0.122 0.000 1.052 193 H CA 0.552 56.556 56.048 -0.073 0.000 1.156 193 H CB 0.371 30.081 29.762 -0.086 0.000 1.507 193 H HN 0.412 nan 8.280 nan 0.000 0.548 194 G N 1.326 110.226 108.800 0.166 0.000 2.131 194 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.223 194 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.223 194 G C -0.392 174.729 174.900 0.367 0.000 0.990 194 G CA -0.134 45.114 45.100 0.247 0.000 0.671 194 G HN 0.565 nan 8.290 nan 0.000 0.521 195 N N -1.957 116.886 118.700 0.239 0.000 3.779 195 N HA -0.134 4.605 4.740 -0.000 0.000 0.279 195 N C 0.607 176.213 175.510 0.160 0.000 2.052 195 N CA 0.771 53.904 53.050 0.139 0.000 2.429 195 N CB -0.990 37.590 38.487 0.154 0.000 0.554 195 N HN 0.635 nan 8.380 nan 0.000 0.551 196 L N 4.532 125.693 121.223 -0.103 0.000 2.610 196 L HA 0.225 4.565 4.340 -0.000 0.000 0.232 196 L C 1.682 178.356 176.870 -0.327 0.000 1.149 196 L CA 0.768 55.449 54.840 -0.265 0.000 0.872 196 L CB -0.410 41.370 42.059 -0.465 0.000 0.992 196 L HN 0.587 nan 8.230 nan 0.000 0.447 197 F N -1.648 118.120 119.950 -0.304 0.000 2.451 197 F HA -0.137 4.390 4.527 -0.000 0.000 0.299 197 F C 1.624 177.291 175.800 -0.223 0.000 1.101 197 F CA 0.641 58.494 58.000 -0.245 0.000 1.436 197 F CB -0.817 37.992 39.000 -0.319 0.000 1.074 197 F HN 0.160 nan 8.300 nan 0.000 0.553 198 Y N -1.283 119.170 120.300 0.256 0.000 2.490 198 Y HA 0.058 4.608 4.550 -0.000 0.000 0.281 198 Y C 1.064 177.055 175.900 0.152 0.000 1.174 198 Y CA -0.379 57.891 58.100 0.284 0.000 1.295 198 Y CB -0.653 38.066 38.460 0.432 0.000 1.062 198 Y HN -0.152 nan 8.280 nan 0.000 0.522 199 N N 2.562 121.179 118.700 -0.139 0.000 2.411 199 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 199 N C -1.868 173.416 175.510 -0.377 0.000 1.103 199 N CA -2.124 50.417 53.050 -0.849 0.000 0.954 199 N CB 1.271 38.857 38.487 -1.502 0.000 1.085 199 N HN -0.022 nan 8.380 nan 0.000 0.485 200 P HA -0.117 nan 4.420 nan 0.000 0.218 200 P C 1.042 178.156 177.300 -0.310 0.000 1.148 200 P CA 1.195 64.156 63.100 -0.231 0.000 0.822 200 P CB 0.033 31.579 31.700 -0.257 0.000 0.784 201 F N -0.969 118.865 119.950 -0.194 0.000 2.259 201 F HA -0.096 4.431 4.527 -0.000 0.000 0.298 201 F C 2.873 178.646 175.800 -0.046 0.000 1.088 201 F CA 1.039 58.990 58.000 -0.082 0.000 1.358 201 F CB -1.273 37.678 39.000 -0.082 0.000 1.040 201 F HN 0.090 nan 8.300 nan 0.000 0.505 202 H N 0.116 119.158 119.070 -0.046 0.000 2.326 202 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 202 H C 2.420 177.733 175.328 -0.024 0.000 1.081 202 H CA 1.547 57.575 56.048 -0.034 0.000 1.334 202 H CB -0.590 29.117 29.762 -0.091 0.000 1.385 202 H HN 0.311 nan 8.280 nan 0.000 0.504 203 G N 1.380 110.186 108.800 0.010 0.000 2.513 203 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 203 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 203 G C 2.042 176.848 174.900 -0.156 0.000 1.160 203 G CA 1.165 46.219 45.100 -0.077 0.000 0.767 203 G HN 0.371 nan 8.290 nan 0.000 0.571 204 L N 0.110 121.274 121.223 -0.098 0.000 2.005 204 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 204 L C 3.106 179.956 176.870 -0.033 0.000 1.072 204 L CA 1.252 56.032 54.840 -0.101 0.000 0.744 204 L CB -0.632 41.490 42.059 0.106 0.000 0.895 204 L HN 0.305 nan 8.230 nan 0.000 0.433 205 S N 0.217 115.978 115.700 0.101 0.000 2.378 205 S HA -0.266 4.203 4.470 -0.000 0.000 0.229 205 S C 1.967 176.520 174.600 -0.079 0.000 1.052 205 S CA 1.897 60.161 58.200 0.106 0.000 1.084 205 S CB -0.369 62.841 63.200 0.017 0.000 0.950 205 S HN 0.292 nan 8.310 nan 0.000 0.440 206 I N 1.232 121.624 120.570 -0.296 0.000 2.286 206 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 206 I C 2.646 178.443 176.117 -0.534 0.000 1.115 206 I CA 1.082 62.087 61.300 -0.492 0.000 1.392 206 I CB -0.476 37.163 38.000 -0.601 0.000 1.065 206 I HN 0.365 nan 8.210 nan 0.000 0.418 207 A N 0.813 123.388 122.820 -0.410 0.000 1.877 207 A HA -0.204 4.115 4.320 -0.000 0.000 0.216 207 A C 2.025 179.425 177.584 -0.307 0.000 1.186 207 A CA 1.657 53.462 52.037 -0.387 0.000 0.620 207 A CB -0.937 17.764 19.000 -0.499 0.000 0.822 207 A HN 0.348 nan 8.150 nan 0.000 0.443 208 F N -0.887 119.062 119.950 -0.003 0.000 2.259 208 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 208 F C 1.969 177.815 175.800 0.077 0.000 1.088 208 F CA 0.911 58.950 58.000 0.065 0.000 1.358 208 F CB -0.640 38.414 39.000 0.090 0.000 1.040 208 F HN 0.231 nan 8.300 nan 0.000 0.505 209 L N -0.855 120.471 121.223 0.172 0.000 2.027 209 L HA -0.206 4.134 4.340 -0.000 0.000 0.206 209 L C 2.230 179.247 176.870 0.245 0.000 1.074 209 L CA 1.884 56.823 54.840 0.166 0.000 0.745 209 L CB -1.111 40.993 42.059 0.074 0.000 0.898 209 L HN 0.040 nan 8.230 nan 0.000 0.433 210 Y N 0.157 120.505 120.300 0.081 0.000 2.181 210 Y HA -0.058 4.492 4.550 -0.000 0.000 0.288 210 Y C 2.588 178.536 175.900 0.080 0.000 1.146 210 Y CA 0.821 58.959 58.100 0.063 0.000 1.164 210 Y CB -1.633 36.841 38.460 0.024 0.000 0.982 210 Y HN 0.258 nan 8.280 nan 0.000 0.515 211 G N -1.135 107.815 108.800 0.250 0.000 2.422 211 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 211 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 211 G C 1.970 176.993 174.900 0.204 0.000 1.146 211 G CA 1.186 46.403 45.100 0.194 0.000 0.769 211 G HN 0.385 nan 8.290 nan 0.000 0.547 212 S N 0.996 116.838 115.700 0.237 0.000 2.368 212 S HA -0.039 4.431 4.470 -0.000 0.000 0.225 212 S C 2.792 177.531 174.600 0.233 0.000 1.030 212 S CA 1.247 59.582 58.200 0.226 0.000 0.999 212 S CB -0.367 62.970 63.200 0.229 0.000 0.844 212 S HN 0.592 nan 8.310 nan 0.000 0.459 213 A N 1.469 124.419 122.820 0.216 0.000 1.873 213 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 213 A C 2.126 179.805 177.584 0.159 0.000 1.186 213 A CA 1.447 53.595 52.037 0.184 0.000 0.616 213 A CB -0.838 18.250 19.000 0.145 0.000 0.823 213 A HN 0.416 nan 8.150 nan 0.000 0.442 214 L N -0.752 120.552 121.223 0.136 0.000 1.990 214 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 214 L C 2.249 179.174 176.870 0.092 0.000 1.072 214 L CA 2.293 57.192 54.840 0.100 0.000 0.755 214 L CB -0.609 41.498 42.059 0.080 0.000 0.889 214 L HN 0.327 nan 8.230 nan 0.000 0.432 215 L N -1.740 119.541 121.223 0.097 0.000 2.093 215 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 215 L C 2.183 179.142 176.870 0.148 0.000 1.085 215 L CA 1.654 56.518 54.840 0.040 0.000 0.755 215 L CB -0.850 41.218 42.059 0.015 0.000 0.904 215 L HN 0.325 nan 8.230 nan 0.000 0.435 216 F N -0.362 119.628 119.950 0.067 0.000 2.416 216 F HA 0.140 4.667 4.527 -0.000 0.000 0.296 216 F C 2.264 178.109 175.800 0.075 0.000 1.099 216 F CA 0.423 58.481 58.000 0.096 0.000 1.427 216 F CB -0.770 38.288 39.000 0.097 0.000 1.079 216 F HN 0.147 nan 8.300 nan 0.000 0.536 217 A N 0.175 123.149 122.820 0.256 0.000 1.855 217 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 217 A C 2.322 179.999 177.584 0.157 0.000 1.191 217 A CA 1.749 53.871 52.037 0.142 0.000 0.613 217 A CB -0.724 18.337 19.000 0.102 0.000 0.829 217 A HN 0.337 nan 8.150 nan 0.000 0.442 218 M N -1.668 118.027 119.600 0.159 0.000 2.073 218 M HA -0.233 4.247 4.480 -0.000 0.000 0.258 218 M C 2.324 178.741 176.300 0.195 0.000 1.070 218 M CA 2.287 57.696 55.300 0.181 0.000 1.103 218 M CB -0.577 31.979 32.600 -0.074 0.000 1.321 218 M HN 0.713 nan 8.290 nan 0.000 0.405 219 H N -0.205 118.902 119.070 0.062 0.000 2.299 219 H HA -0.025 4.531 4.556 -0.000 0.000 0.302 219 H C 1.979 177.384 175.328 0.127 0.000 1.078 219 H CA 2.131 58.205 56.048 0.043 0.000 1.323 219 H CB -0.751 28.986 29.762 -0.040 0.000 1.381 219 H HN 0.312 nan 8.280 nan 0.000 0.498 220 G N 0.127 108.998 108.800 0.119 0.000 2.446 220 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 220 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 220 G C 1.956 176.807 174.900 -0.083 0.000 1.168 220 G CA 1.348 46.440 45.100 -0.013 0.000 0.771 220 G HN 0.639 nan 8.290 nan 0.000 0.551 221 A N 0.153 122.957 122.820 -0.026 0.000 1.883 221 A HA -0.067 4.252 4.320 -0.000 0.000 0.217 221 A C 2.532 180.057 177.584 -0.099 0.000 1.186 221 A CA 2.595 54.596 52.037 -0.061 0.000 0.624 221 A CB -1.095 17.889 19.000 -0.027 0.000 0.822 221 A HN 0.312 nan 8.150 nan 0.000 0.444 222 T N 0.382 114.907 114.554 -0.047 0.000 2.708 222 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 222 T C 1.832 176.483 174.700 -0.082 0.000 1.037 222 T CA 1.508 63.582 62.100 -0.043 0.000 1.146 222 T CB -0.297 68.680 68.868 0.181 0.000 0.865 222 T HN 0.311 nan 8.240 nan 0.000 0.435 223 I N 1.117 121.601 120.570 -0.143 0.000 2.142 223 I HA -0.093 4.077 4.170 -0.000 0.000 0.240 223 I C 2.472 178.516 176.117 -0.122 0.000 1.078 223 I CA 1.247 62.467 61.300 -0.132 0.000 1.343 223 I CB -1.396 36.481 38.000 -0.205 0.000 1.046 223 I HN 0.272 nan 8.210 nan 0.000 0.405 224 L N 0.844 121.977 121.223 -0.150 0.000 1.997 224 L HA -0.278 4.062 4.340 -0.000 0.000 0.216 224 L C 2.858 179.632 176.870 -0.160 0.000 1.074 224 L CA 1.925 56.664 54.840 -0.168 0.000 0.763 224 L CB -0.954 40.996 42.059 -0.181 0.000 0.890 224 L HN 0.240 nan 8.230 nan 0.000 0.434 225 A N -0.018 122.714 122.820 -0.146 0.000 1.948 225 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 225 A C 1.863 179.396 177.584 -0.085 0.000 1.177 225 A CA 2.104 54.059 52.037 -0.138 0.000 0.636 225 A CB -0.840 18.049 19.000 -0.185 0.000 0.815 225 A HN 0.425 nan 8.150 nan 0.000 0.449 226 V N -1.569 118.329 119.914 -0.028 0.000 3.249 226 V HA 0.186 4.306 4.120 -0.000 0.000 0.338 226 V C 1.412 177.510 176.094 0.007 0.000 1.363 226 V CA 0.849 63.215 62.300 0.110 0.000 1.205 226 V CB -0.803 31.150 31.823 0.218 0.000 1.164 226 V HN 0.584 nan 8.190 nan 0.000 0.458 227 S N 1.742 117.371 115.700 -0.118 0.000 2.489 227 S HA -0.127 4.342 4.470 -0.000 0.000 0.228 227 S C 1.888 176.374 174.600 -0.189 0.000 0.995 227 S CA 0.755 58.880 58.200 -0.125 0.000 0.934 227 S CB -0.557 62.553 63.200 -0.151 0.000 0.771 227 S HN 0.854 nan 8.310 nan 0.000 0.522 228 R N 0.277 120.548 120.500 -0.381 0.000 2.316 228 R HA 0.127 4.466 4.340 -0.000 0.000 0.202 228 R C 0.399 176.364 176.300 -0.559 0.000 1.029 228 R CA 0.817 56.606 56.100 -0.518 0.000 1.018 228 R CB -0.683 29.176 30.300 -0.736 0.000 0.888 228 R HN 0.559 nan 8.270 nan 0.000 0.471 229 F N 0.051 119.992 119.950 -0.014 0.000 2.683 229 F HA 0.443 4.970 4.527 -0.000 0.000 0.306 229 F C 1.112 176.908 175.800 -0.006 0.000 1.102 229 F CA -0.114 57.882 58.000 -0.008 0.000 1.244 229 F CB 1.478 40.471 39.000 -0.011 0.000 1.029 229 F HN 0.201 nan 8.300 nan 0.000 0.545 230 G N 0.609 109.464 108.800 0.092 0.000 2.132 230 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.234 230 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.234 230 G C 1.357 176.294 174.900 0.062 0.000 0.989 230 G CA 0.066 45.204 45.100 0.064 0.000 0.676 230 G HN 0.605 nan 8.290 nan 0.000 0.522 231 G N 1.337 110.179 108.800 0.070 0.000 2.505 231 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.220 231 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.220 231 G C 1.513 176.439 174.900 0.042 0.000 1.145 231 G CA 1.747 46.885 45.100 0.064 0.000 0.761 231 G HN 0.922 nan 8.290 nan 0.000 0.571 232 E N 0.887 121.094 120.200 0.012 0.000 2.347 232 E HA -0.086 4.264 4.350 -0.000 0.000 0.196 232 E C 1.199 177.813 176.600 0.023 0.000 1.008 232 E CA 0.139 56.544 56.400 0.008 0.000 0.852 232 E CB -0.264 29.422 29.700 -0.024 0.000 0.783 232 E HN 0.334 nan 8.360 nan 0.000 0.505 233 R N 1.747 122.261 120.500 0.023 0.000 4.576 233 R HA 0.082 4.422 4.340 -0.000 0.000 0.185 233 R C 0.899 177.216 176.300 0.028 0.000 1.837 233 R CA 0.012 56.123 56.100 0.019 0.000 1.520 233 R CB -0.055 30.256 30.300 0.018 0.000 1.403 233 R HN 0.311 nan 8.270 nan 0.000 0.831 234 E N 0.626 120.847 120.200 0.034 0.000 2.106 234 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 234 E C 1.445 178.051 176.600 0.011 0.000 0.984 234 E CA 0.923 57.356 56.400 0.055 0.000 0.806 234 E CB 0.039 29.800 29.700 0.102 0.000 0.750 234 E HN 0.464 nan 8.360 nan 0.000 0.458 235 L N 0.855 122.063 121.223 -0.025 0.000 2.017 235 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 235 L C 2.573 179.437 176.870 -0.010 0.000 1.073 235 L CA 1.218 56.037 54.840 -0.035 0.000 0.745 235 L CB -0.249 41.779 42.059 -0.052 0.000 0.894 235 L HN 0.088 nan 8.230 nan 0.000 0.432 236 E N -0.325 119.874 120.200 -0.002 0.000 2.265 236 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 236 E C 2.203 178.812 176.600 0.016 0.000 0.996 236 E CA 0.905 57.309 56.400 0.006 0.000 0.832 236 E CB 0.084 29.788 29.700 0.008 0.000 0.756 236 E HN 0.336 nan 8.360 nan 0.000 0.491 237 Q N -0.496 119.320 119.800 0.026 0.000 2.230 237 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 237 Q C 2.230 178.252 176.000 0.036 0.000 0.963 237 Q CA 0.744 56.569 55.803 0.037 0.000 0.866 237 Q CB 0.084 28.855 28.738 0.054 0.000 0.931 237 Q HN 0.437 nan 8.270 nan 0.000 0.452 238 I N 0.438 121.026 120.570 0.030 0.000 2.252 238 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 238 I C 2.097 178.226 176.117 0.020 0.000 1.102 238 I CA 1.045 62.361 61.300 0.028 0.000 1.385 238 I CB -0.202 37.806 38.000 0.013 0.000 1.064 238 I HN 0.020 nan 8.210 nan 0.000 0.414 239 A N -1.028 121.800 122.820 0.012 0.000 2.208 239 A HA -0.072 4.248 4.320 -0.000 0.000 0.209 239 A C 0.557 178.149 177.584 0.013 0.000 1.161 239 A CA 0.918 52.961 52.037 0.010 0.000 0.782 239 A CB -0.022 18.980 19.000 0.004 0.000 0.816 239 A HN 0.391 nan 8.150 nan 0.000 0.477 240 D N -0.903 119.507 120.400 0.016 0.000 2.881 240 D HA 0.061 4.701 4.640 -0.000 0.000 0.238 240 D C -0.465 175.845 176.300 0.018 0.000 1.368 240 D CA -0.392 53.618 54.000 0.015 0.000 0.871 240 D CB -0.171 40.637 40.800 0.013 0.000 1.516 240 D HN 0.247 nan 8.370 nan 0.000 0.544 241 R N 0.683 121.194 120.500 0.019 0.000 2.500 241 R HA 0.328 4.667 4.340 -0.000 0.000 0.281 241 R C 0.372 176.679 176.300 0.011 0.000 0.953 241 R CA 0.856 56.967 56.100 0.018 0.000 1.108 241 R CB 0.337 30.647 30.300 0.017 0.000 0.901 241 R HN 0.350 nan 8.270 nan 0.000 0.410 242 G N 0.625 109.431 108.800 0.010 0.000 2.644 242 G HA2 0.112 4.072 3.960 -0.000 0.000 0.307 242 G HA3 0.112 4.072 3.960 -0.000 0.000 0.307 242 G C 0.440 175.319 174.900 -0.034 0.000 1.250 242 G CA -0.365 44.735 45.100 -0.000 0.000 0.996 242 G HN 0.572 nan 8.290 nan 0.000 0.489 243 T N -0.271 114.239 114.554 -0.074 0.000 2.849 243 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 243 T C 2.559 177.114 174.700 -0.242 0.000 1.066 243 T CA 2.488 64.475 62.100 -0.189 0.000 1.130 243 T CB -0.492 68.194 68.868 -0.304 0.000 0.864 243 T HN 0.672 nan 8.240 nan 0.000 0.481 244 A N 1.163 123.925 122.820 -0.096 0.000 1.865 244 A HA 0.155 4.475 4.320 -0.000 0.000 0.217 244 A C 2.757 180.350 177.584 0.014 0.000 1.191 244 A CA 2.111 54.170 52.037 0.037 0.000 0.623 244 A CB -1.450 17.646 19.000 0.160 0.000 0.826 244 A HN 0.640 nan 8.150 nan 0.000 0.444 245 A N -0.336 122.494 122.820 0.017 0.000 1.908 245 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 245 A C 1.940 179.521 177.584 -0.006 0.000 1.181 245 A CA 1.809 53.863 52.037 0.028 0.000 0.627 245 A CB -0.586 18.437 19.000 0.038 0.000 0.818 245 A HN 0.672 nan 8.150 nan 0.000 0.445 246 E N -0.642 119.528 120.200 -0.050 0.000 2.072 246 E HA -0.168 4.181 4.350 -0.000 0.000 0.191 246 E C 2.358 178.877 176.600 -0.135 0.000 0.985 246 E CA 1.087 57.437 56.400 -0.082 0.000 0.801 246 E CB -0.170 29.474 29.700 -0.094 0.000 0.750 246 E HN 0.558 nan 8.360 nan 0.000 0.452 247 R N 0.665 121.064 120.500 -0.169 0.000 2.081 247 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 247 R C 2.406 178.640 176.300 -0.110 0.000 1.131 247 R CA 1.078 57.061 56.100 -0.196 0.000 0.960 247 R CB -0.333 29.829 30.300 -0.230 0.000 0.856 247 R HN 0.099 nan 8.270 nan 0.000 0.436 248 A N 1.522 124.330 122.820 -0.020 0.000 1.865 248 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 248 A C 2.427 180.093 177.584 0.137 0.000 1.191 248 A CA 1.907 53.990 52.037 0.077 0.000 0.623 248 A CB -0.952 18.115 19.000 0.112 0.000 0.826 248 A HN 0.403 nan 8.150 nan 0.000 0.444 249 A N -0.629 122.227 122.820 0.061 0.000 1.908 249 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 249 A C 2.189 179.743 177.584 -0.050 0.000 1.181 249 A CA 1.724 53.791 52.037 0.049 0.000 0.627 249 A CB -0.613 18.394 19.000 0.013 0.000 0.818 249 A HN 0.488 nan 8.150 nan 0.000 0.445 250 L N -2.289 118.792 121.223 -0.236 0.000 2.240 250 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 250 L C 2.345 178.746 176.870 -0.782 0.000 1.106 250 L CA 0.872 55.338 54.840 -0.622 0.000 0.793 250 L CB -0.422 41.110 42.059 -0.878 0.000 0.927 250 L HN 0.519 nan 8.230 nan 0.000 0.446 251 F N 0.134 119.739 119.950 -0.576 0.000 2.065 251 F HA -0.297 4.230 4.527 -0.000 0.000 0.298 251 F C 1.972 177.473 175.800 -0.498 0.000 1.112 251 F CA 1.865 59.538 58.000 -0.546 0.000 1.212 251 F CB -0.389 38.244 39.000 -0.612 0.000 0.975 251 F HN -0.012 nan 8.300 nan 0.000 0.476 252 W N 0.408 121.687 121.300 -0.036 0.000 2.418 252 W HA -0.016 4.644 4.660 -0.000 0.000 0.292 252 W C 2.824 179.214 176.519 -0.214 0.000 1.213 252 W CA 1.245 58.524 57.345 -0.110 0.000 1.283 252 W CB -0.505 28.905 29.460 -0.082 0.000 1.119 252 W HN -0.100 nan 8.180 nan 0.000 0.542 253 R N -0.106 120.397 120.500 0.005 0.000 2.080 253 R HA -0.205 4.135 4.340 -0.000 0.000 0.236 253 R C 1.960 178.356 176.300 0.160 0.000 1.137 253 R CA 2.299 58.435 56.100 0.059 0.000 0.943 253 R CB -0.805 29.524 30.300 0.050 0.000 0.846 253 R HN 0.119 nan 8.270 nan 0.000 0.431 254 W N 0.539 121.763 121.300 -0.126 0.000 2.374 254 W HA -0.038 4.622 4.660 -0.000 0.000 0.288 254 W C 2.174 178.554 176.519 -0.232 0.000 1.218 254 W CA 1.139 58.383 57.345 -0.168 0.000 1.245 254 W CB -1.221 28.119 29.460 -0.200 0.000 1.126 254 W HN 0.182 nan 8.180 nan 0.000 0.545 255 T N 1.015 115.462 114.554 -0.179 0.000 2.668 255 T HA -0.152 4.198 4.350 -0.000 0.000 0.258 255 T C 1.767 176.473 174.700 0.009 0.000 1.051 255 T CA 1.993 63.965 62.100 -0.214 0.000 1.155 255 T CB -0.480 68.077 68.868 -0.518 0.000 0.864 255 T HN 0.217 nan 8.240 nan 0.000 0.413 256 M N -0.521 119.140 119.600 0.102 0.000 2.333 256 M HA 0.575 5.055 4.480 -0.000 0.000 0.257 256 M C 1.464 177.930 176.300 0.277 0.000 1.078 256 M CA 0.563 55.980 55.300 0.195 0.000 1.005 256 M CB 0.929 33.677 32.600 0.247 0.000 1.444 256 M HN 0.395 nan 8.290 nan 0.000 0.496 257 G N 1.941 110.877 108.800 0.228 0.000 2.179 257 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.220 257 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.220 257 G C -0.194 174.927 174.900 0.369 0.000 0.990 257 G CA 0.190 45.453 45.100 0.271 0.000 0.646 257 G HN 0.762 nan 8.290 nan 0.000 0.517 258 F N -0.088 119.920 119.950 0.097 0.000 2.789 258 F HA 0.803 5.330 4.527 -0.000 0.000 0.319 258 F C -0.870 174.982 175.800 0.087 0.000 1.168 258 F CA -1.187 56.863 58.000 0.082 0.000 0.934 258 F CB 0.783 39.820 39.000 0.060 0.000 1.375 258 F HN 0.537 nan 8.300 nan 0.000 0.480 259 N N 0.754 119.405 118.700 -0.081 0.000 3.185 259 N HA 0.582 5.322 4.740 -0.000 0.000 0.238 259 N C -2.022 173.479 175.510 -0.015 0.000 1.451 259 N CA -0.508 52.439 53.050 -0.172 0.000 0.888 259 N CB 1.638 40.110 38.487 -0.024 0.000 1.413 259 N HN 1.132 nan 8.380 nan 0.000 0.511 260 A N 0.100 122.888 122.820 -0.053 0.000 2.252 260 A HA 0.711 5.031 4.320 -0.000 0.000 0.305 260 A C 0.607 178.236 177.584 0.075 0.000 1.097 260 A CA -0.027 52.041 52.037 0.051 0.000 0.849 260 A CB 0.363 19.352 19.000 -0.018 0.000 1.142 260 A HN 0.849 nan 8.150 nan 0.000 0.499 261 T N -1.950 112.666 114.554 0.104 0.000 2.897 261 T HA 0.404 4.754 4.350 -0.000 0.000 0.278 261 T C 0.899 175.656 174.700 0.095 0.000 0.981 261 T CA 0.135 62.289 62.100 0.090 0.000 0.973 261 T CB 0.706 69.627 68.868 0.088 0.000 1.092 261 T HN 0.524 nan 8.240 nan 0.000 0.543 262 M N -0.061 119.601 119.600 0.103 0.000 2.288 262 M HA 0.165 4.644 4.480 -0.000 0.000 0.266 262 M C 2.138 178.566 176.300 0.214 0.000 1.072 262 M CA 1.512 56.898 55.300 0.144 0.000 1.132 262 M CB -0.710 31.967 32.600 0.127 0.000 1.386 262 M HN 0.887 nan 8.290 nan 0.000 0.432 263 E N -0.991 119.303 120.200 0.156 0.000 2.112 263 E HA -0.059 4.290 4.350 -0.000 0.000 0.190 263 E C 1.905 178.610 176.600 0.175 0.000 0.979 263 E CA 1.030 57.528 56.400 0.163 0.000 0.814 263 E CB -0.431 29.315 29.700 0.076 0.000 0.762 263 E HN 0.605 nan 8.360 nan 0.000 0.460 264 G N 1.380 110.259 108.800 0.132 0.000 2.448 264 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 264 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 264 G C 1.499 176.503 174.900 0.173 0.000 1.127 264 G CA 0.683 45.861 45.100 0.131 0.000 0.766 264 G HN 0.324 nan 8.290 nan 0.000 0.552 265 I N 0.638 121.251 120.570 0.072 0.000 2.315 265 I HA -0.057 4.112 4.170 -0.000 0.000 0.248 265 I C 2.278 178.250 176.117 -0.241 0.000 1.117 265 I CA 0.956 62.194 61.300 -0.104 0.000 1.404 265 I CB -0.438 37.310 38.000 -0.420 0.000 1.071 265 I HN 0.285 nan 8.210 nan 0.000 0.419 266 H N -0.260 118.756 119.070 -0.089 0.000 2.521 266 H HA 0.043 4.599 4.556 -0.000 0.000 0.286 266 H C 2.184 177.497 175.328 -0.025 0.000 1.034 266 H CA 1.042 57.023 56.048 -0.110 0.000 1.278 266 H CB -0.112 29.584 29.762 -0.110 0.000 1.386 266 H HN 0.308 nan 8.280 nan 0.000 0.567 267 R N -0.643 119.923 120.500 0.110 0.000 2.100 267 R HA -0.079 4.261 4.340 -0.000 0.000 0.220 267 R C 1.460 177.853 176.300 0.155 0.000 1.091 267 R CA 1.055 57.229 56.100 0.123 0.000 0.986 267 R CB -0.237 30.104 30.300 0.067 0.000 0.888 267 R HN 0.366 nan 8.270 nan 0.000 0.444 268 W N 1.329 122.673 121.300 0.074 0.000 2.338 268 W HA -0.168 4.492 4.660 -0.000 0.000 0.304 268 W C 2.556 179.082 176.519 0.012 0.000 1.212 268 W CA 1.250 58.627 57.345 0.053 0.000 1.264 268 W CB -0.331 29.105 29.460 -0.041 0.000 1.142 268 W HN 0.179 nan 8.180 nan 0.000 0.512 269 A N 0.269 123.159 122.820 0.117 0.000 1.845 269 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 269 A C 1.921 179.508 177.584 0.004 0.000 1.195 269 A CA 1.708 53.721 52.037 -0.040 0.000 0.616 269 A CB -1.151 17.707 19.000 -0.236 0.000 0.832 269 A HN 0.315 nan 8.150 nan 0.000 0.443 270 I N -2.085 118.477 120.570 -0.013 0.000 2.264 270 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 270 I C 2.238 178.257 176.117 -0.162 0.000 1.111 270 I CA 1.569 62.806 61.300 -0.105 0.000 1.382 270 I CB -0.076 37.822 38.000 -0.170 0.000 1.060 270 I HN 0.619 nan 8.210 nan 0.000 0.418 271 W N -0.447 120.851 121.300 -0.003 0.000 2.453 271 W HA -0.129 4.531 4.660 -0.000 0.000 0.289 271 W C 2.405 178.881 176.519 -0.072 0.000 1.215 271 W CA 0.636 57.952 57.345 -0.048 0.000 1.297 271 W CB -0.314 29.092 29.460 -0.089 0.000 1.113 271 W HN 0.116 nan 8.180 nan 0.000 0.551 272 M N 1.046 120.790 119.600 0.240 0.000 2.080 272 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 272 M C 2.058 178.444 176.300 0.144 0.000 1.068 272 M CA 2.406 57.849 55.300 0.239 0.000 1.109 272 M CB -0.915 31.857 32.600 0.286 0.000 1.342 272 M HN -0.035 nan 8.290 nan 0.000 0.405 273 A N -1.109 121.770 122.820 0.098 0.000 1.832 273 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 273 A C 2.183 179.791 177.584 0.039 0.000 1.200 273 A CA 1.902 53.989 52.037 0.084 0.000 0.610 273 A CB -1.449 17.587 19.000 0.060 0.000 0.842 273 A HN 0.333 nan 8.150 nan 0.000 0.444 274 V N 0.153 120.053 119.914 -0.024 0.000 2.527 274 V HA -0.246 3.874 4.120 -0.000 0.000 0.255 274 V C 2.338 178.412 176.094 -0.034 0.000 1.081 274 V CA 1.997 64.264 62.300 -0.054 0.000 1.092 274 V CB -0.552 31.131 31.823 -0.233 0.000 0.673 274 V HN 0.536 nan 8.190 nan 0.000 0.470 275 L N -1.341 119.808 121.223 -0.123 0.000 2.554 275 L HA -0.022 4.318 4.340 -0.000 0.000 0.226 275 L C 2.101 178.877 176.870 -0.157 0.000 1.137 275 L CA 0.063 54.722 54.840 -0.301 0.000 0.863 275 L CB -0.152 41.302 42.059 -1.008 0.000 0.985 275 L HN 0.190 nan 8.230 nan 0.000 0.451 276 V N 0.045 119.979 119.914 0.032 0.000 2.229 276 V HA -0.285 3.835 4.120 -0.000 0.000 0.243 276 V C 2.667 178.863 176.094 0.171 0.000 1.042 276 V CA 2.592 65.004 62.300 0.186 0.000 1.000 276 V CB -0.768 31.161 31.823 0.176 0.000 0.637 276 V HN 0.650 nan 8.190 nan 0.000 0.446 277 T N -2.028 112.622 114.554 0.159 0.000 3.055 277 T HA -0.045 4.304 4.350 -0.000 0.000 0.265 277 T C 1.811 176.692 174.700 0.302 0.000 1.111 277 T CA 1.176 63.392 62.100 0.193 0.000 1.118 277 T CB -0.202 68.780 68.868 0.189 0.000 0.909 277 T HN 0.295 nan 8.240 nan 0.000 0.501 278 L N 1.889 123.271 121.223 0.265 0.000 2.007 278 L HA -0.039 4.301 4.340 -0.000 0.000 0.205 278 L C 3.104 180.178 176.870 0.341 0.000 1.073 278 L CA 1.978 57.003 54.840 0.307 0.000 0.744 278 L CB -0.742 41.389 42.059 0.121 0.000 0.898 278 L HN 0.491 nan 8.230 nan 0.000 0.435 279 T N -3.133 111.581 114.554 0.267 0.000 2.684 279 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 279 T C 1.912 176.768 174.700 0.261 0.000 1.036 279 T CA 1.075 63.375 62.100 0.334 0.000 1.148 279 T CB -1.537 67.597 68.868 0.445 0.000 0.863 279 T HN 0.432 nan 8.240 nan 0.000 0.436 280 G N 1.350 110.279 108.800 0.216 0.000 2.440 280 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 280 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 280 G C 1.746 176.674 174.900 0.047 0.000 1.154 280 G CA 0.847 46.024 45.100 0.128 0.000 0.767 280 G HN 0.712 nan 8.290 nan 0.000 0.552 281 G N 1.169 109.994 108.800 0.042 0.000 2.459 281 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 281 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 281 G C 1.783 176.601 174.900 -0.136 0.000 1.183 281 G CA 0.996 45.932 45.100 -0.273 0.000 0.776 281 G HN 0.440 nan 8.290 nan 0.000 0.552 282 I N 1.481 122.136 120.570 0.142 0.000 2.118 282 I HA -0.141 4.029 4.170 -0.000 0.000 0.241 282 I C 3.146 179.109 176.117 -0.255 0.000 1.070 282 I CA 1.268 62.499 61.300 -0.115 0.000 1.327 282 I CB -0.721 36.992 38.000 -0.478 0.000 1.034 282 I HN 0.241 nan 8.210 nan 0.000 0.405 283 G N 1.515 110.198 108.800 -0.195 0.000 2.574 283 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 283 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 283 G C 1.531 176.468 174.900 0.060 0.000 1.173 283 G CA 1.191 46.282 45.100 -0.016 0.000 0.772 283 G HN 0.250 nan 8.290 nan 0.000 0.585 284 I N 0.317 120.900 120.570 0.022 0.000 2.286 284 I HA 0.004 4.174 4.170 -0.000 0.000 0.245 284 I C 2.609 178.771 176.117 0.075 0.000 1.104 284 I CA 0.438 61.780 61.300 0.070 0.000 1.397 284 I CB -1.212 36.754 38.000 -0.056 0.000 1.072 284 I HN 0.149 nan 8.210 nan 0.000 0.417 285 L N 0.837 122.044 121.223 -0.028 0.000 2.083 285 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 285 L C 2.258 179.145 176.870 0.029 0.000 1.083 285 L CA 1.735 56.560 54.840 -0.026 0.000 0.752 285 L CB -0.589 41.437 42.059 -0.056 0.000 0.899 285 L HN 0.125 nan 8.230 nan 0.000 0.433 286 L N -1.256 120.005 121.223 0.063 0.000 2.313 286 L HA -0.016 4.324 4.340 -0.000 0.000 0.214 286 L C 1.014 177.913 176.870 0.048 0.000 1.119 286 L CA 0.034 54.920 54.840 0.078 0.000 0.809 286 L CB -0.446 41.707 42.059 0.156 0.000 0.933 286 L HN 0.039 nan 8.230 nan 0.000 0.449 287 S N 0.426 116.199 115.700 0.121 0.000 2.481 287 S HA 0.309 4.779 4.470 -0.000 0.000 0.282 287 S C 1.173 175.601 174.600 -0.287 0.000 1.243 287 S CA 0.528 58.673 58.200 -0.090 0.000 1.078 287 S CB 0.630 63.795 63.200 -0.057 0.000 0.916 287 S HN 0.580 nan 8.310 nan 0.000 0.495 288 G N 3.227 111.896 108.800 -0.218 0.000 2.304 288 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.252 288 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.252 288 G C 1.060 175.941 174.900 -0.032 0.000 1.014 288 G CA 0.995 46.083 45.100 -0.019 0.000 0.619 288 G HN 0.804 nan 8.290 nan 0.000 0.525 289 T N -1.765 112.761 114.554 -0.045 0.000 2.781 289 T HA 0.268 4.618 4.350 -0.000 0.000 0.252 289 T C 2.200 176.871 174.700 -0.048 0.000 1.039 289 T CA 2.283 64.364 62.100 -0.031 0.000 1.147 289 T CB -0.280 68.581 68.868 -0.012 0.000 0.865 289 T HN 0.642 nan 8.240 nan 0.000 0.423 290 V N 0.513 120.382 119.914 -0.074 0.000 2.922 290 V HA 0.331 4.451 4.120 -0.000 0.000 0.242 290 V C 0.600 176.596 176.094 -0.164 0.000 1.094 290 V CA -0.003 62.245 62.300 -0.087 0.000 1.106 290 V CB 0.430 32.211 31.823 -0.070 0.000 0.799 290 V HN 0.364 nan 8.190 nan 0.000 0.474 291 V N 0.947 120.677 119.914 -0.307 0.000 2.483 291 V HA 0.426 4.545 4.120 -0.000 0.000 0.297 291 V C 0.081 175.930 176.094 -0.408 0.000 1.027 291 V CA -0.429 61.569 62.300 -0.503 0.000 0.855 291 V CB 1.708 32.767 31.823 -1.274 0.000 0.995 291 V HN 0.202 nan 8.190 nan 0.000 0.424 292 D N 2.128 122.391 120.400 -0.228 0.000 2.216 292 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 292 D C 0.661 176.902 176.300 -0.098 0.000 0.960 292 D CA 1.094 55.034 54.000 -0.100 0.000 0.861 292 D CB 0.317 41.074 40.800 -0.071 0.000 0.985 292 D HN 0.498 nan 8.370 nan 0.000 0.493 293 N N -0.323 118.292 118.700 -0.141 0.000 2.504 293 N HA 0.038 4.777 4.740 -0.000 0.000 0.280 293 N C -0.162 175.365 175.510 0.029 0.000 1.052 293 N CA -0.499 52.542 53.050 -0.015 0.000 0.887 293 N CB 0.564 39.085 38.487 0.057 0.000 1.323 293 N HN -0.096 nan 8.380 nan 0.000 0.509 294 W N 2.045 123.481 121.300 0.227 0.000 2.425 294 W HA -0.101 4.559 4.660 -0.000 0.000 0.277 294 W C 1.660 178.383 176.519 0.340 0.000 1.231 294 W CA 0.362 57.883 57.345 0.293 0.000 1.248 294 W CB -0.273 29.345 29.460 0.264 0.000 1.117 294 W HN 0.676 nan 8.180 nan 0.000 0.568 295 Y N 0.694 121.160 120.300 0.276 0.000 2.114 295 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 295 Y C 2.285 178.171 175.900 -0.023 0.000 1.143 295 Y CA 2.118 60.108 58.100 -0.183 0.000 1.135 295 Y CB -0.912 37.343 38.460 -0.342 0.000 0.980 295 Y HN -0.224 nan 8.280 nan 0.000 0.499 296 V N -0.373 119.583 119.914 0.070 0.000 2.332 296 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 296 V C 2.111 178.227 176.094 0.037 0.000 1.055 296 V CA 2.134 64.418 62.300 -0.027 0.000 1.038 296 V CB -1.090 30.771 31.823 0.064 0.000 0.651 296 V HN 0.727 nan 8.190 nan 0.000 0.450 297 W N 1.093 122.387 121.300 -0.010 0.000 2.353 297 W HA -0.097 4.562 4.660 -0.000 0.000 0.319 297 W C 2.423 179.062 176.519 0.199 0.000 1.207 297 W CA 2.208 59.621 57.345 0.113 0.000 1.291 297 W CB -0.936 28.541 29.460 0.028 0.000 1.159 297 W HN 0.269 nan 8.180 nan 0.000 0.478 298 G N 0.159 109.240 108.800 0.469 0.000 2.624 298 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.221 298 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.221 298 G C 1.404 176.224 174.900 -0.132 0.000 1.169 298 G CA 1.472 46.685 45.100 0.190 0.000 0.771 298 G HN 0.318 nan 8.290 nan 0.000 0.598 299 Q N 0.437 120.071 119.800 -0.278 0.000 2.197 299 Q HA -0.073 4.267 4.340 -0.000 0.000 0.207 299 Q C 1.674 177.488 176.000 -0.309 0.000 0.984 299 Q CA 1.130 56.744 55.803 -0.316 0.000 0.869 299 Q CB -0.286 28.227 28.738 -0.376 0.000 0.906 299 Q HN 0.649 nan 8.270 nan 0.000 0.426 300 N N -0.418 118.034 118.700 -0.413 0.000 2.234 300 N HA 0.043 4.783 4.740 -0.000 0.000 0.227 300 N C -0.563 174.199 175.510 -1.247 0.000 1.151 300 N CA 0.104 52.736 53.050 -0.698 0.000 0.865 300 N CB 0.549 38.619 38.487 -0.694 0.000 1.066 300 N HN 0.288 nan 8.380 nan 0.000 0.515 301 H N -0.481 118.281 119.070 -0.514 0.000 3.080 301 H HA 0.305 4.861 4.556 -0.000 0.000 0.211 301 H C 0.657 175.768 175.328 -0.362 0.000 1.359 301 H CA -0.017 55.683 56.048 -0.581 0.000 1.322 301 H CB 0.422 29.446 29.762 -1.229 0.000 2.164 301 H HN 0.208 nan 8.280 nan 0.000 0.526 302 G N 0.000 108.700 108.800 -0.167 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 302 G CA 0.000 45.057 45.100 -0.072 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925