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 2boz_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 FHLLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM 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 0.000 177.610 177.584 0.043 0.000 1.274 1 A CA 0.000 52.054 52.037 0.029 0.000 0.836 1 A CB 0.000 19.015 19.000 0.024 0.000 0.831 2 E N 0.800 121.021 120.200 0.035 0.000 2.360 2 E HA 0.264 4.614 4.350 -0.000 0.000 0.269 2 E C -0.760 175.886 176.600 0.077 0.000 1.022 2 E CA -0.252 56.177 56.400 0.049 0.000 0.887 2 E CB 0.490 30.200 29.700 0.017 0.000 0.990 2 E HN 0.777 nan 8.360 nan 0.000 0.426 3 Y N 3.505 123.795 120.300 -0.016 0.000 2.702 3 Y HA -0.081 4.469 4.550 -0.000 0.000 0.336 3 Y C 0.521 176.406 175.900 -0.025 0.000 1.235 3 Y CA 0.481 58.574 58.100 -0.012 0.000 1.492 3 Y CB 0.933 39.386 38.460 -0.011 0.000 1.308 3 Y HN 0.559 nan 8.280 nan 0.000 0.589 4 Q N 3.349 122.702 119.800 -0.745 0.000 2.281 4 Q HA 0.029 4.369 4.340 -0.000 0.000 0.215 4 Q C 0.409 175.972 176.000 -0.727 0.000 0.867 4 Q CA 0.446 55.907 55.803 -0.570 0.000 0.940 4 Q CB -0.055 28.505 28.738 -0.296 0.000 1.111 4 Q HN 0.882 nan 8.270 nan 0.000 0.513 5 N N 0.098 117.988 118.700 -1.351 0.000 2.741 5 N HA -0.203 4.537 4.740 -0.000 0.000 0.250 5 N C 0.323 175.623 175.510 -0.350 0.000 1.115 5 N CA 0.427 53.074 53.050 -0.671 0.000 0.724 5 N CB -1.249 37.029 38.487 -0.348 0.000 1.090 5 N HN 0.294 nan 8.380 nan 0.000 0.558 6 I N -1.274 119.084 120.570 -0.354 0.000 2.400 6 I HA 0.018 4.188 4.170 -0.000 0.000 0.248 6 I C 0.487 176.326 176.117 -0.464 0.000 1.109 6 I CA 0.917 61.976 61.300 -0.401 0.000 1.425 6 I CB -0.033 37.725 38.000 -0.402 0.000 1.094 6 I HN 0.006 nan 8.210 nan 0.000 0.425 7 F N -0.621 119.411 119.950 0.136 0.000 2.561 7 F HA 0.412 4.939 4.527 -0.000 0.000 0.321 7 F C 0.492 176.496 175.800 0.340 0.000 1.065 7 F CA -1.082 57.075 58.000 0.261 0.000 0.934 7 F CB 1.251 40.395 39.000 0.239 0.000 1.215 7 F HN -0.349 nan 8.300 nan 0.000 0.471 8 S N 1.122 117.176 115.700 0.590 0.000 2.565 8 S HA 0.148 4.618 4.470 -0.000 0.000 0.276 8 S C 0.786 175.672 174.600 0.477 0.000 1.326 8 S CA -0.623 57.852 58.200 0.459 0.000 1.045 8 S CB 1.258 64.653 63.200 0.325 0.000 0.918 8 S HN 0.677 nan 8.310 nan 0.000 0.505 9 Q N 0.654 120.594 119.800 0.234 0.000 2.163 9 Q HA 0.094 4.433 4.340 -0.000 0.000 0.198 9 Q C -0.241 175.908 176.000 0.248 0.000 0.954 9 Q CA 0.735 56.628 55.803 0.149 0.000 0.851 9 Q CB 0.131 28.793 28.738 -0.126 0.000 0.928 9 Q HN 0.447 nan 8.270 nan 0.000 0.459 10 V N 1.201 121.209 119.914 0.157 0.000 2.638 10 V HA 0.247 4.367 4.120 -0.000 0.000 0.306 10 V C -0.837 175.267 176.094 0.018 0.000 1.052 10 V CA -0.845 61.510 62.300 0.091 0.000 0.885 10 V CB 1.890 33.724 31.823 0.019 0.000 0.999 10 V HN 0.113 nan 8.190 nan 0.000 0.424 11 Q N 2.037 121.790 119.800 -0.079 0.000 2.266 11 Q HA 0.796 5.136 4.340 -0.000 0.000 0.261 11 Q C -1.266 174.661 176.000 -0.123 0.000 0.985 11 Q CA -0.688 55.021 55.803 -0.156 0.000 0.873 11 Q CB 3.006 31.537 28.738 -0.344 0.000 1.306 11 Q HN 0.518 nan 8.270 nan 0.000 0.447 12 V N 1.962 121.810 119.914 -0.109 0.000 2.709 12 V HA 0.570 4.690 4.120 -0.000 0.000 0.308 12 V C -1.176 174.844 176.094 -0.123 0.000 1.062 12 V CA -0.564 61.677 62.300 -0.098 0.000 0.901 12 V CB 2.167 33.952 31.823 -0.064 0.000 1.003 12 V HN 0.695 nan 8.190 nan 0.000 0.425 13 R N 3.115 123.522 120.500 -0.155 0.000 2.628 13 R HA 0.765 5.105 4.340 -0.000 0.000 0.288 13 R C -0.305 175.881 176.300 -0.190 0.000 0.980 13 R CA -0.062 55.904 56.100 -0.223 0.000 0.891 13 R CB 2.122 32.193 30.300 -0.381 0.000 1.188 13 R HN 0.878 nan 8.270 nan 0.000 0.450 14 G N 2.535 111.242 108.800 -0.156 0.000 3.175 14 G HA2 0.569 4.529 3.960 -0.000 0.000 0.255 14 G HA3 0.569 4.529 3.960 -0.000 0.000 0.255 14 G C -2.521 172.333 174.900 -0.077 0.000 1.352 14 G CA -1.121 43.921 45.100 -0.096 0.000 1.037 14 G HN 0.462 nan 8.290 nan 0.000 0.556 15 P HA 0.401 nan 4.420 nan 0.000 0.269 15 P C 0.004 177.372 177.300 0.112 0.000 1.209 15 P CA -0.113 63.005 63.100 0.030 0.000 0.776 15 P CB 0.639 32.351 31.700 0.021 0.000 0.876 16 A N 2.059 124.996 122.820 0.194 0.000 2.566 16 A HA 0.008 4.328 4.320 -0.000 0.000 0.245 16 A C 0.443 178.096 177.584 0.115 0.000 1.056 16 A CA 0.230 52.419 52.037 0.253 0.000 0.757 16 A CB -0.487 18.623 19.000 0.183 0.000 0.979 16 A HN 0.510 nan 8.150 nan 0.000 0.508 17 D N 3.020 123.480 120.400 0.100 0.000 2.393 17 D HA 0.250 4.890 4.640 -0.000 0.000 0.232 17 D C 0.923 177.233 176.300 0.015 0.000 1.192 17 D CA -0.045 53.984 54.000 0.048 0.000 0.882 17 D CB 0.509 41.337 40.800 0.047 0.000 1.038 17 D HN 0.514 nan 8.370 nan 0.000 0.499 18 L N 2.759 123.988 121.223 0.011 0.000 2.395 18 L HA 0.158 4.498 4.340 -0.000 0.000 0.218 18 L C 1.488 178.357 176.870 -0.002 0.000 1.130 18 L CA 0.433 55.273 54.840 0.001 0.000 0.826 18 L CB -0.595 41.465 42.059 0.003 0.000 0.941 18 L HN 0.596 nan 8.230 nan 0.000 0.451 19 G N -0.263 108.535 108.800 -0.004 0.000 2.655 19 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.680 19 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.680 19 G C -0.482 174.409 174.900 -0.015 0.000 1.302 19 G CA -0.928 44.165 45.100 -0.011 0.000 0.872 19 G HN -0.152 nan 8.290 nan 0.000 0.540 20 M N 0.495 120.080 119.600 -0.025 0.000 2.233 20 M HA 0.339 4.819 4.480 -0.000 0.000 0.350 20 M C 1.694 177.976 176.300 -0.030 0.000 1.176 20 M CA 0.310 55.592 55.300 -0.029 0.000 1.150 20 M CB 0.337 32.913 32.600 -0.040 0.000 1.530 20 M HN 0.675 nan 8.290 nan 0.000 0.459 21 T N 0.475 115.014 114.554 -0.025 0.000 2.866 21 T HA -0.003 4.347 4.350 -0.000 0.000 0.250 21 T C 0.761 175.440 174.700 -0.034 0.000 1.033 21 T CA 0.292 62.380 62.100 -0.021 0.000 1.145 21 T CB 0.190 69.050 68.868 -0.013 0.000 0.866 21 T HN 0.606 nan 8.240 nan 0.000 0.434 22 E N 1.373 121.551 120.200 -0.038 0.000 3.498 22 E HA -0.232 4.118 4.350 -0.000 0.000 0.395 22 E C 0.260 176.835 176.600 -0.042 0.000 1.577 22 E CA 1.713 58.086 56.400 -0.045 0.000 1.700 22 E CB -1.141 28.521 29.700 -0.063 0.000 1.647 22 E HN 0.423 nan 8.360 nan 0.000 0.442 23 D N 0.972 121.338 120.400 -0.056 0.000 2.342 23 D HA 0.156 4.796 4.640 -0.000 0.000 0.221 23 D C -0.069 176.199 176.300 -0.053 0.000 1.101 23 D CA 0.059 54.030 54.000 -0.049 0.000 0.837 23 D CB 0.240 41.009 40.800 -0.053 0.000 0.938 23 D HN -0.050 nan 8.370 nan 0.000 0.508 24 V N 1.769 121.647 119.914 -0.060 0.000 2.599 24 V HA -0.076 4.044 4.120 -0.000 0.000 0.300 24 V C 0.973 177.094 176.094 0.046 0.000 1.034 24 V CA -0.261 62.013 62.300 -0.043 0.000 1.115 24 V CB 0.449 32.241 31.823 -0.052 0.000 0.934 24 V HN 0.142 nan 8.190 nan 0.000 0.485 25 N N 4.120 122.896 118.700 0.125 0.000 2.406 25 N HA 0.123 4.863 4.740 -0.000 0.000 0.269 25 N C 1.039 176.641 175.510 0.153 0.000 1.210 25 N CA -0.469 52.663 53.050 0.137 0.000 0.966 25 N CB 0.274 38.852 38.487 0.152 0.000 1.293 25 N HN 0.696 nan 8.380 nan 0.000 0.491 26 L N 3.004 124.271 121.223 0.074 0.000 2.261 26 L HA -0.171 4.169 4.340 -0.000 0.000 0.216 26 L C 2.431 179.300 176.870 -0.003 0.000 1.114 26 L CA 0.720 55.587 54.840 0.045 0.000 0.777 26 L CB -0.395 41.676 42.059 0.021 0.000 0.910 26 L HN 0.635 nan 8.230 nan 0.000 0.440 27 A N 0.086 122.895 122.820 -0.017 0.000 2.019 27 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 27 A C 1.799 179.310 177.584 -0.123 0.000 1.164 27 A CA 1.468 53.473 52.037 -0.054 0.000 0.644 27 A CB -0.357 18.618 19.000 -0.042 0.000 0.805 27 A HN 0.424 nan 8.150 nan 0.000 0.449 28 N N -0.129 118.447 118.700 -0.206 0.000 2.383 28 N HA 0.053 4.793 4.740 -0.000 0.000 0.192 28 N C 0.053 175.242 175.510 -0.536 0.000 1.141 28 N CA 0.206 52.961 53.050 -0.491 0.000 0.851 28 N CB 0.101 38.026 38.487 -0.936 0.000 0.976 28 N HN 0.458 nan 8.380 nan 0.000 0.465 29 R N 0.633 120.995 120.500 -0.229 0.000 2.368 29 R HA 0.246 4.586 4.340 -0.000 0.000 0.302 29 R C 0.736 176.979 176.300 -0.095 0.000 1.002 29 R CA -0.287 55.747 56.100 -0.110 0.000 0.929 29 R CB 1.227 31.530 30.300 0.005 0.000 1.073 29 R HN 0.103 nan 8.270 nan 0.000 0.464 30 S N 1.120 116.773 115.700 -0.079 0.000 2.640 30 S HA 0.332 4.802 4.470 -0.000 0.000 0.262 30 S C 0.712 175.282 174.600 -0.049 0.000 1.232 30 S CA -0.567 57.595 58.200 -0.064 0.000 0.988 30 S CB 0.896 64.062 63.200 -0.055 0.000 1.034 30 S HN 0.640 nan 8.310 nan 0.000 0.569 31 G N -0.811 107.961 108.800 -0.046 0.000 2.588 31 G HA2 0.457 4.417 3.960 -0.000 0.000 0.281 31 G HA3 0.457 4.417 3.960 -0.000 0.000 0.281 31 G C -0.338 174.525 174.900 -0.062 0.000 1.236 31 G CA -0.755 44.318 45.100 -0.044 0.000 0.969 31 G HN 0.783 nan 8.290 nan 0.000 0.504 32 V N 0.138 120.005 119.914 -0.078 0.000 2.963 32 V HA 0.441 4.561 4.120 -0.000 0.000 0.306 32 V C 1.436 177.441 176.094 -0.148 0.000 1.077 32 V CA 0.860 63.077 62.300 -0.138 0.000 1.124 32 V CB 1.085 32.800 31.823 -0.180 0.000 0.987 32 V HN 0.968 nan 8.190 nan 0.000 0.487 33 G N 5.415 114.103 108.800 -0.187 0.000 2.509 33 G HA2 0.498 4.458 3.960 -0.000 0.000 0.269 33 G HA3 0.498 4.458 3.960 -0.000 0.000 0.269 33 G C -2.506 172.262 174.900 -0.220 0.000 1.416 33 G CA -0.781 44.224 45.100 -0.157 0.000 1.052 33 G HN 0.663 nan 8.290 nan 0.000 0.542 34 P HA 0.321 nan 4.420 nan 0.000 0.282 34 P C -1.040 176.167 177.300 -0.154 0.000 1.249 34 P CA -0.424 62.616 63.100 -0.099 0.000 0.806 34 P CB 0.944 32.633 31.700 -0.018 0.000 0.984 35 F N 0.583 120.520 119.950 -0.022 0.000 2.484 35 F HA 0.167 4.693 4.527 -0.000 0.000 0.360 35 F C 1.625 177.404 175.800 -0.035 0.000 1.101 35 F CA 0.513 58.493 58.000 -0.032 0.000 1.251 35 F CB 0.617 39.591 39.000 -0.044 0.000 1.132 35 F HN 0.176 nan 8.300 nan 0.000 0.570 36 S N 2.319 118.094 115.700 0.126 0.000 2.532 36 S HA 0.180 4.650 4.470 -0.000 0.000 0.318 36 S C 0.897 175.503 174.600 0.009 0.000 1.083 36 S CA -0.641 57.594 58.200 0.059 0.000 1.131 36 S CB 0.634 63.858 63.200 0.040 0.000 0.973 36 S HN 0.742 nan 8.310 nan 0.000 0.468 37 T N 5.270 119.802 114.554 -0.037 0.000 2.803 37 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 37 T C 1.718 176.272 174.700 -0.244 0.000 1.052 37 T CA 1.597 63.577 62.100 -0.199 0.000 1.136 37 T CB -0.321 68.458 68.868 -0.149 0.000 0.864 37 T HN 0.588 nan 8.240 nan 0.000 0.467 38 L N 0.933 122.155 121.223 -0.001 0.000 1.994 38 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 38 L C 2.131 179.096 176.870 0.159 0.000 1.071 38 L CA 1.711 56.644 54.840 0.155 0.000 0.745 38 L CB -0.695 41.443 42.059 0.132 0.000 0.892 38 L HN 0.235 nan 8.230 nan 0.000 0.431 39 L N -0.525 120.756 121.223 0.097 0.000 2.141 39 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 39 L C 2.461 179.417 176.870 0.143 0.000 1.094 39 L CA 0.996 55.921 54.840 0.141 0.000 0.763 39 L CB -1.240 40.880 42.059 0.102 0.000 0.908 39 L HN 0.502 nan 8.230 nan 0.000 0.437 40 G N -0.798 107.996 108.800 -0.010 0.000 2.498 40 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 40 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 40 G C 1.107 175.960 174.900 -0.078 0.000 1.119 40 G CA 0.122 45.162 45.100 -0.100 0.000 0.766 40 G HN 0.437 nan 8.290 nan 0.000 0.552 41 W N -1.274 120.137 121.300 0.184 0.000 2.425 41 W HA 0.203 4.862 4.660 -0.000 0.000 0.277 41 W C 1.919 178.724 176.519 0.477 0.000 1.231 41 W CA -0.125 57.371 57.345 0.252 0.000 1.248 41 W CB -0.104 29.428 29.460 0.119 0.000 1.117 41 W HN 0.185 nan 8.180 nan 0.000 0.568 42 F N -1.160 119.052 119.950 0.436 0.000 2.577 42 F HA 0.439 4.966 4.527 -0.000 0.000 0.276 42 F C 1.410 177.301 175.800 0.153 0.000 1.032 42 F CA 1.171 59.372 58.000 0.335 0.000 1.297 42 F CB -0.223 38.985 39.000 0.346 0.000 1.061 42 F HN -0.248 nan 8.300 nan 0.000 0.680 43 G N -0.382 108.547 108.800 0.215 0.000 3.085 43 G HA2 0.209 4.169 3.960 -0.000 0.000 0.264 43 G HA3 0.209 4.169 3.960 -0.000 0.000 0.264 43 G C -1.309 173.637 174.900 0.077 0.000 1.206 43 G CA -1.051 44.094 45.100 0.074 0.000 0.809 43 G HN 0.084 nan 8.290 nan 0.000 0.592 44 N N 0.181 118.916 118.700 0.058 0.000 2.454 44 N HA 0.361 5.101 4.740 -0.000 0.000 0.254 44 N C 1.076 176.624 175.510 0.064 0.000 1.228 44 N CA 0.326 53.407 53.050 0.053 0.000 0.900 44 N CB 1.626 40.139 38.487 0.042 0.000 1.089 44 N HN 0.527 nan 8.380 nan 0.000 0.449 45 A N 1.955 124.822 122.820 0.078 0.000 2.030 45 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 45 A C 0.931 178.593 177.584 0.128 0.000 1.164 45 A CA 0.379 52.479 52.037 0.105 0.000 0.697 45 A CB -0.046 19.021 19.000 0.112 0.000 0.827 45 A HN 0.776 nan 8.150 nan 0.000 0.457 46 Q N 0.457 120.324 119.800 0.111 0.000 2.311 46 Q HA 0.415 4.755 4.340 -0.000 0.000 0.272 46 Q C -1.205 174.689 176.000 -0.177 0.000 1.012 46 Q CA 0.058 55.762 55.803 -0.164 0.000 0.891 46 Q CB 0.341 29.020 28.738 -0.098 0.000 1.201 46 Q HN 0.508 nan 8.270 nan 0.000 0.391 47 L N 3.767 124.819 121.223 -0.285 0.000 2.325 47 L HA 0.661 5.001 4.340 -0.000 0.000 0.278 47 L C 0.619 177.373 176.870 -0.193 0.000 1.023 47 L CA -0.164 54.570 54.840 -0.177 0.000 0.811 47 L CB 1.601 43.580 42.059 -0.135 0.000 1.249 47 L HN 1.026 nan 8.230 nan 0.000 0.431 48 G N 3.110 111.841 108.800 -0.115 0.000 2.804 48 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.230 48 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.230 48 G C -2.927 171.918 174.900 -0.092 0.000 1.386 48 G CA -1.047 43.998 45.100 -0.093 0.000 0.875 48 G HN 0.432 nan 8.290 nan 0.000 0.557 49 P HA 0.581 nan 4.420 nan 0.000 0.274 49 P C 0.073 177.362 177.300 -0.018 0.000 1.256 49 P CA -0.626 62.447 63.100 -0.045 0.000 0.795 49 P CB 0.758 32.440 31.700 -0.029 0.000 1.038 50 I N 0.322 120.886 120.570 -0.010 0.000 2.648 50 I HA 0.391 4.561 4.170 -0.000 0.000 0.304 50 I C -1.035 175.104 176.117 0.036 0.000 1.009 50 I CA -1.272 60.041 61.300 0.021 0.000 1.114 50 I CB 1.249 39.262 38.000 0.022 0.000 1.293 50 I HN 0.219 nan 8.210 nan 0.000 0.449 51 Y N 6.792 127.056 120.300 -0.059 0.000 2.326 51 Y HA 0.316 4.866 4.550 -0.000 0.000 0.337 51 Y C -0.435 175.424 175.900 -0.067 0.000 1.023 51 Y CA -0.135 57.922 58.100 -0.071 0.000 1.143 51 Y CB 1.289 39.691 38.460 -0.098 0.000 1.183 51 Y HN 0.584 nan 8.280 nan 0.000 0.485 52 L N 4.305 125.296 121.223 -0.386 0.000 2.864 52 L HA 0.636 4.976 4.340 -0.000 0.000 0.177 52 L C 0.986 177.710 176.870 -0.243 0.000 1.341 52 L CA 1.508 56.230 54.840 -0.197 0.000 0.892 52 L CB -0.815 41.177 42.059 -0.112 0.000 1.290 52 L HN 0.935 nan 8.230 nan 0.000 0.545 53 G N -1.127 107.470 108.800 -0.339 0.000 2.860 53 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.553 53 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.553 53 G C 0.619 175.495 174.900 -0.039 0.000 1.439 53 G CA 0.068 45.063 45.100 -0.174 0.000 0.879 53 G HN 0.340 nan 8.290 nan 0.000 0.545 54 S N -0.534 115.165 115.700 -0.002 0.000 2.356 54 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 54 S C 2.526 177.146 174.600 0.032 0.000 1.032 54 S CA 1.855 60.060 58.200 0.009 0.000 1.005 54 S CB -0.268 62.940 63.200 0.013 0.000 0.867 54 S HN 0.906 nan 8.310 nan 0.000 0.449 55 L N 1.847 123.095 121.223 0.042 0.000 2.083 55 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 55 L C 2.252 179.157 176.870 0.058 0.000 1.083 55 L CA 1.806 56.674 54.840 0.048 0.000 0.752 55 L CB -1.236 40.837 42.059 0.024 0.000 0.899 55 L HN 0.328 nan 8.230 nan 0.000 0.433 56 G N -1.415 107.409 108.800 0.040 0.000 2.402 56 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 56 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 56 G C 1.560 176.534 174.900 0.123 0.000 1.162 56 G CA 0.934 46.073 45.100 0.065 0.000 0.777 56 G HN 0.296 nan 8.290 nan 0.000 0.539 57 V N 1.007 120.968 119.914 0.079 0.000 2.252 57 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 57 V C 2.721 178.902 176.094 0.146 0.000 1.056 57 V CA 1.894 64.246 62.300 0.087 0.000 1.022 57 V CB -0.615 31.225 31.823 0.029 0.000 0.641 57 V HN 0.386 nan 8.190 nan 0.000 0.445 58 L N -0.019 121.283 121.223 0.131 0.000 2.079 58 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 58 L C 2.561 179.571 176.870 0.234 0.000 1.081 58 L CA 2.553 57.504 54.840 0.184 0.000 0.752 58 L CB -0.751 41.392 42.059 0.140 0.000 0.896 58 L HN 0.335 nan 8.230 nan 0.000 0.433 59 S N -1.161 114.664 115.700 0.209 0.000 2.345 59 S HA -0.151 4.319 4.470 -0.000 0.000 0.220 59 S C 2.012 176.715 174.600 0.172 0.000 1.031 59 S CA 1.412 59.749 58.200 0.229 0.000 0.996 59 S CB -0.473 62.956 63.200 0.382 0.000 0.882 59 S HN 0.433 nan 8.310 nan 0.000 0.445 60 L N 0.653 121.990 121.223 0.190 0.000 2.012 60 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 60 L C 2.124 179.032 176.870 0.063 0.000 1.073 60 L CA 1.996 56.895 54.840 0.098 0.000 0.748 60 L CB -0.747 41.387 42.059 0.126 0.000 0.891 60 L HN 0.481 nan 8.230 nan 0.000 0.431 61 F N -0.093 119.856 119.950 -0.001 0.000 2.065 61 F HA -0.310 4.217 4.527 -0.000 0.000 0.298 61 F C 2.698 178.451 175.800 -0.078 0.000 1.112 61 F CA 2.062 60.047 58.000 -0.024 0.000 1.212 61 F CB -0.640 38.369 39.000 0.015 0.000 0.975 61 F HN 0.250 nan 8.300 nan 0.000 0.476 62 S N -0.164 115.494 115.700 -0.071 0.000 2.406 62 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 62 S C 2.371 176.860 174.600 -0.185 0.000 1.020 62 S CA 0.587 58.677 58.200 -0.184 0.000 0.965 62 S CB -1.489 61.813 63.200 0.169 0.000 0.798 62 S HN 0.513 nan 8.310 nan 0.000 0.488 63 G N 2.669 111.390 108.800 -0.132 0.000 2.459 63 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 63 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 63 G C 1.392 176.187 174.900 -0.175 0.000 1.183 63 G CA 1.044 46.070 45.100 -0.124 0.000 0.776 63 G HN 0.485 nan 8.290 nan 0.000 0.552 64 L N -0.104 120.894 121.223 -0.375 0.000 2.012 64 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 64 L C 3.131 179.479 176.870 -0.870 0.000 1.073 64 L CA 0.996 55.413 54.840 -0.704 0.000 0.748 64 L CB -0.364 41.333 42.059 -0.603 0.000 0.891 64 L HN 0.147 nan 8.230 nan 0.000 0.431 65 M N -1.337 117.807 119.600 -0.759 0.000 2.149 65 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 65 M C 2.113 178.111 176.300 -0.504 0.000 1.064 65 M CA 1.685 56.485 55.300 -0.834 0.000 1.102 65 M CB -1.330 30.248 32.600 -1.703 0.000 1.369 65 M HN 0.470 nan 8.290 nan 0.000 0.408 66 W N 0.608 121.636 121.300 -0.454 0.000 2.335 66 W HA -0.285 4.375 4.660 -0.000 0.000 0.311 66 W C 2.249 178.615 176.519 -0.256 0.000 1.213 66 W CA 1.709 58.913 57.345 -0.235 0.000 1.274 66 W CB -0.939 28.395 29.460 -0.210 0.000 1.148 66 W HN 0.175 nan 8.180 nan 0.000 0.498 67 F N -0.187 119.403 119.950 -0.601 0.000 2.163 67 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 67 F C 2.068 177.589 175.800 -0.465 0.000 1.094 67 F CA 1.858 59.390 58.000 -0.779 0.000 1.290 67 F CB -0.873 37.762 39.000 -0.609 0.000 1.017 67 F HN -0.198 nan 8.300 nan 0.000 0.483 68 F N 0.231 120.080 119.950 -0.168 0.000 2.216 68 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 68 F C 2.558 178.248 175.800 -0.182 0.000 1.085 68 F CA 1.421 59.324 58.000 -0.163 0.000 1.326 68 F CB -1.901 37.037 39.000 -0.102 0.000 1.027 68 F HN -0.107 nan 8.300 nan 0.000 0.497 69 T N 0.751 115.274 114.554 -0.052 0.000 2.737 69 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 69 T C 2.253 176.901 174.700 -0.086 0.000 1.038 69 T CA 1.320 63.410 62.100 -0.016 0.000 1.144 69 T CB -0.444 68.438 68.868 0.023 0.000 0.866 69 T HN 0.155 nan 8.240 nan 0.000 0.434 70 I N 1.263 121.614 120.570 -0.364 0.000 2.179 70 I HA -0.113 4.057 4.170 -0.000 0.000 0.242 70 I C 2.915 178.727 176.117 -0.510 0.000 1.088 70 I CA 1.338 62.339 61.300 -0.499 0.000 1.357 70 I CB -0.841 36.593 38.000 -0.944 0.000 1.051 70 I HN 0.306 nan 8.210 nan 0.000 0.409 71 G N 1.094 109.609 108.800 -0.475 0.000 2.446 71 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 71 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 71 G C 1.653 176.692 174.900 0.232 0.000 1.168 71 G CA 0.828 45.827 45.100 -0.169 0.000 0.771 71 G HN 0.280 nan 8.290 nan 0.000 0.551 72 I N -0.431 120.281 120.570 0.237 0.000 2.361 72 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 72 I C 2.285 178.593 176.117 0.319 0.000 1.133 72 I CA 0.600 62.103 61.300 0.339 0.000 1.413 72 I CB -0.241 37.926 38.000 0.278 0.000 1.073 72 I HN 0.480 nan 8.210 nan 0.000 0.424 73 W N -0.005 121.363 121.300 0.114 0.000 2.381 73 W HA -0.285 4.375 4.660 -0.000 0.000 0.301 73 W C 2.113 178.737 176.519 0.175 0.000 1.205 73 W CA 1.054 58.496 57.345 0.162 0.000 1.285 73 W CB -0.376 29.199 29.460 0.190 0.000 1.133 73 W HN 0.092 nan 8.180 nan 0.000 0.521 74 F N -0.123 119.716 119.950 -0.185 0.000 2.065 74 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 74 F C 2.103 177.384 175.800 -0.865 0.000 1.112 74 F CA 1.437 59.028 58.000 -0.682 0.000 1.212 74 F CB -1.777 36.990 39.000 -0.389 0.000 0.975 74 F HN -0.065 nan 8.300 nan 0.000 0.476 75 W N -1.261 119.905 121.300 -0.223 0.000 2.335 75 W HA -0.258 4.402 4.660 -0.000 0.000 0.311 75 W C 2.641 178.460 176.519 -1.167 0.000 1.213 75 W CA 1.809 58.857 57.345 -0.495 0.000 1.274 75 W CB -1.307 27.972 29.460 -0.301 0.000 1.148 75 W HN 0.068 nan 8.180 nan 0.000 0.498 76 Y N 1.374 120.954 120.300 -1.200 0.000 2.053 76 Y HA -0.372 4.178 4.550 -0.000 0.000 0.277 76 Y C 2.421 177.721 175.900 -1.000 0.000 1.159 76 Y CA 2.437 59.739 58.100 -1.330 0.000 1.125 76 Y CB -0.980 37.013 38.460 -0.779 0.000 0.969 76 Y HN 0.025 nan 8.280 nan 0.000 0.492 77 Q N -0.437 118.709 119.800 -1.090 0.000 2.234 77 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 77 Q C 2.174 177.782 176.000 -0.654 0.000 0.980 77 Q CA 1.192 56.436 55.803 -0.932 0.000 0.869 77 Q CB -0.364 27.886 28.738 -0.814 0.000 0.912 77 Q HN 0.631 nan 8.270 nan 0.000 0.436 78 A N 0.061 122.434 122.820 -0.745 0.000 2.235 78 A HA 0.216 4.536 4.320 -0.000 0.000 0.208 78 A C 1.491 178.928 177.584 -0.245 0.000 1.172 78 A CA 0.718 52.555 52.037 -0.333 0.000 0.786 78 A CB -0.432 18.406 19.000 -0.270 0.000 0.804 78 A HN 0.452 nan 8.150 nan 0.000 0.479 79 G N -2.436 106.089 108.800 -0.460 0.000 2.258 79 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.274 79 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.274 79 G C 0.364 175.245 174.900 -0.032 0.000 1.021 79 G CA 0.419 45.334 45.100 -0.309 0.000 0.798 79 G HN 1.144 nan 8.290 nan 0.000 0.507 80 W N -2.489 118.880 121.300 0.116 0.000 2.589 80 W HA -0.215 4.445 4.660 -0.000 0.000 0.272 80 W C 0.764 177.447 176.519 0.274 0.000 1.060 80 W CA 0.287 57.781 57.345 0.247 0.000 0.533 80 W CB -1.863 27.650 29.460 0.088 0.000 2.084 80 W HN 0.618 nan 8.180 nan 0.000 1.371 81 N N 1.476 120.386 118.700 0.349 0.000 2.408 81 N HA 0.168 4.908 4.740 -0.000 0.000 0.257 81 N C -1.092 174.609 175.510 0.319 0.000 1.064 81 N CA -1.644 51.572 53.050 0.277 0.000 0.952 81 N CB 1.361 39.940 38.487 0.152 0.000 1.093 81 N HN -0.211 nan 8.380 nan 0.000 0.490 82 P HA -0.080 nan 4.420 nan 0.000 0.218 82 P C 0.727 178.164 177.300 0.228 0.000 1.148 82 P CA 1.120 64.443 63.100 0.371 0.000 0.822 82 P CB 0.280 32.184 31.700 0.339 0.000 0.784 83 A N -0.642 122.276 122.820 0.163 0.000 1.872 83 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 83 A C 2.289 179.915 177.584 0.071 0.000 1.187 83 A CA 1.569 53.666 52.037 0.100 0.000 0.614 83 A CB -1.577 17.463 19.000 0.067 0.000 0.826 83 A HN 0.024 nan 8.150 nan 0.000 0.442 84 V N -1.014 118.947 119.914 0.078 0.000 2.407 84 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 84 V C 2.275 178.439 176.094 0.116 0.000 1.055 84 V CA 2.037 64.370 62.300 0.054 0.000 1.049 84 V CB -1.068 30.791 31.823 0.061 0.000 0.662 84 V HN 0.610 nan 8.190 nan 0.000 0.455 85 F N 0.612 120.537 119.950 -0.042 0.000 2.095 85 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 85 F C 1.999 177.780 175.800 -0.031 0.000 1.104 85 F CA 1.876 59.802 58.000 -0.122 0.000 1.232 85 F CB -0.157 38.399 39.000 -0.740 0.000 0.987 85 F HN 0.046 nan 8.300 nan 0.000 0.475 86 L N -0.341 120.905 121.223 0.038 0.000 2.109 86 L HA -0.103 4.236 4.340 -0.000 0.000 0.207 86 L C 2.658 179.427 176.870 -0.168 0.000 1.086 86 L CA 1.190 55.992 54.840 -0.062 0.000 0.760 86 L CB -0.747 41.342 42.059 0.051 0.000 0.910 86 L HN 0.056 nan 8.230 nan 0.000 0.437 87 R N 0.510 120.926 120.500 -0.140 0.000 2.070 87 R HA -0.164 4.176 4.340 -0.000 0.000 0.233 87 R C 0.739 176.865 176.300 -0.289 0.000 1.137 87 R CA 1.946 57.933 56.100 -0.187 0.000 0.945 87 R CB -0.027 30.178 30.300 -0.158 0.000 0.845 87 R HN 0.275 nan 8.270 nan 0.000 0.430 88 D N 0.508 120.645 120.400 -0.438 0.000 2.358 88 D HA -0.006 4.634 4.640 -0.000 0.000 0.224 88 D C 1.229 176.905 176.300 -1.040 0.000 1.123 88 D CA -0.077 53.484 54.000 -0.732 0.000 0.833 88 D CB 0.462 40.649 40.800 -1.022 0.000 0.946 88 D HN 0.138 nan 8.370 nan 0.000 0.505 89 L N -0.019 120.838 121.223 -0.610 0.000 2.043 89 L HA -0.167 4.172 4.340 -0.000 0.000 0.212 89 L C 1.508 178.261 176.870 -0.195 0.000 1.075 89 L CA 1.666 56.264 54.840 -0.404 0.000 0.752 89 L CB -0.387 41.507 42.059 -0.276 0.000 0.891 89 L HN -0.043 nan 8.230 nan 0.000 0.432 90 F N -1.567 118.006 119.950 -0.628 0.000 2.558 90 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 90 F C 1.933 177.064 175.800 -1.115 0.000 1.119 90 F CA 0.492 57.853 58.000 -1.065 0.000 1.451 90 F CB -0.900 37.001 39.000 -1.832 0.000 1.091 90 F HN 0.068 nan 8.300 nan 0.000 0.563 91 F N -1.972 117.643 119.950 -0.557 0.000 2.530 91 F HA 0.093 4.620 4.527 -0.000 0.000 0.292 91 F C 0.867 176.436 175.800 -0.384 0.000 1.109 91 F CA -0.350 57.428 58.000 -0.369 0.000 1.450 91 F CB -0.599 38.163 39.000 -0.396 0.000 1.114 91 F HN -0.352 nan 8.300 nan 0.000 0.560 92 F N 0.607 120.343 119.950 -0.357 0.000 2.545 92 F HA 0.327 4.854 4.527 -0.000 0.000 0.348 92 F C 0.708 176.247 175.800 -0.436 0.000 1.163 92 F CA -0.516 57.087 58.000 -0.662 0.000 1.331 92 F CB 0.260 38.250 39.000 -1.684 0.000 1.138 92 F HN -0.339 nan 8.300 nan 0.000 0.602 93 S N 2.038 117.865 115.700 0.211 0.000 2.566 93 S HA 0.522 4.991 4.470 -0.000 0.000 0.273 93 S C -1.838 173.175 174.600 0.688 0.000 1.157 93 S CA -0.703 57.773 58.200 0.461 0.000 0.938 93 S CB 0.855 64.250 63.200 0.324 0.000 1.087 93 S HN 0.536 nan 8.310 nan 0.000 0.474 94 L N 4.870 126.495 121.223 0.670 0.000 2.259 94 L HA 0.616 4.956 4.340 -0.000 0.000 0.288 94 L C -0.405 176.673 176.870 0.347 0.000 1.051 94 L CA 0.248 55.308 54.840 0.367 0.000 0.824 94 L CB 0.725 42.995 42.059 0.352 0.000 1.206 94 L HN 0.616 nan 8.230 nan 0.000 0.429 95 E N 6.773 127.057 120.200 0.141 0.000 2.204 95 E HA 0.474 4.824 4.350 -0.000 0.000 0.276 95 E C -2.495 173.946 176.600 -0.266 0.000 0.974 95 E CA -1.917 54.482 56.400 -0.001 0.000 0.815 95 E CB 1.233 30.965 29.700 0.053 0.000 1.119 95 E HN 0.435 nan 8.360 nan 0.000 0.393 96 P HA 0.187 nan 4.420 nan 0.000 0.272 96 P C -2.524 174.542 177.300 -0.389 0.000 1.240 96 P CA -1.385 61.040 63.100 -1.124 0.000 0.791 96 P CB -0.496 30.309 31.700 -1.492 0.000 0.978 97 P HA -0.008 nan 4.420 nan 0.000 0.267 97 P C -0.078 177.274 177.300 0.086 0.000 1.201 97 P CA 0.510 63.605 63.100 -0.007 0.000 0.775 97 P CB 0.026 31.783 31.700 0.096 0.000 0.854 98 A N 4.877 127.833 122.820 0.227 0.000 2.406 98 A HA 0.230 4.550 4.320 -0.000 0.000 0.243 98 A C -1.269 176.408 177.584 0.154 0.000 1.082 98 A CA -0.711 51.435 52.037 0.181 0.000 0.786 98 A CB -1.044 18.073 19.000 0.197 0.000 1.029 98 A HN 0.428 nan 8.150 nan 0.000 0.495 99 P HA -0.196 nan 4.420 nan 0.000 0.216 99 P C 1.208 178.501 177.300 -0.013 0.000 1.150 99 P CA 1.588 64.698 63.100 0.017 0.000 0.837 99 P CB 0.035 31.729 31.700 -0.011 0.000 0.786 100 E N -0.890 119.271 120.200 -0.066 0.000 2.267 100 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 100 E C 1.279 177.749 176.600 -0.217 0.000 0.998 100 E CA 1.422 57.719 56.400 -0.172 0.000 0.830 100 E CB -1.381 28.165 29.700 -0.257 0.000 0.751 100 E HN 0.368 nan 8.360 nan 0.000 0.491 101 Y N 1.451 121.762 120.300 0.019 0.000 2.583 101 Y HA 0.139 4.689 4.550 -0.000 0.000 0.293 101 Y C 2.029 177.939 175.900 0.016 0.000 1.157 101 Y CA 0.546 58.672 58.100 0.043 0.000 1.315 101 Y CB -0.311 38.207 38.460 0.097 0.000 1.021 101 Y HN 0.257 nan 8.280 nan 0.000 0.536 102 G N 0.796 109.638 108.800 0.071 0.000 2.634 102 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.309 102 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.309 102 G C 0.704 175.512 174.900 -0.154 0.000 1.265 102 G CA 0.746 45.811 45.100 -0.059 0.000 0.998 102 G HN 0.295 nan 8.290 nan 0.000 0.551 103 L N 1.826 122.873 121.223 -0.295 0.000 2.667 103 L HA 0.340 4.680 4.340 -0.000 0.000 0.232 103 L C 1.905 178.730 176.870 -0.074 0.000 1.138 103 L CA 0.574 55.059 54.840 -0.591 0.000 0.921 103 L CB 0.051 41.642 42.059 -0.780 0.000 1.180 103 L HN 0.690 nan 8.230 nan 0.000 0.487 104 S N -0.346 115.377 115.700 0.038 0.000 2.580 104 S HA 0.059 4.529 4.470 -0.000 0.000 0.266 104 S C 0.282 175.022 174.600 0.234 0.000 1.354 104 S CA -0.049 58.184 58.200 0.055 0.000 1.008 104 S CB 0.419 63.699 63.200 0.133 0.000 0.898 104 S HN 0.153 nan 8.310 nan 0.000 0.555 105 F N 0.861 120.922 119.950 0.186 0.000 2.730 105 F HA 0.487 5.014 4.527 -0.000 0.000 0.295 105 F C 1.559 177.374 175.800 0.026 0.000 1.143 105 F CA -0.893 57.161 58.000 0.089 0.000 1.367 105 F CB -0.867 38.153 39.000 0.033 0.000 0.970 105 F HN 0.769 nan 8.300 nan 0.000 0.514 106 A N -0.334 122.611 122.820 0.207 0.000 2.308 106 A HA 0.587 4.907 4.320 -0.000 0.000 0.217 106 A C 1.390 178.956 177.584 -0.030 0.000 1.216 106 A CA 0.261 52.380 52.037 0.136 0.000 0.864 106 A CB -0.484 18.642 19.000 0.210 0.000 0.902 106 A HN 0.143 nan 8.150 nan 0.000 0.499 107 A N 1.223 123.830 122.820 -0.355 0.000 2.388 107 A HA 0.567 4.887 4.320 -0.000 0.000 0.257 107 A C -2.399 174.991 177.584 -0.324 0.000 1.095 107 A CA -1.202 50.316 52.037 -0.866 0.000 0.791 107 A CB -0.290 18.010 19.000 -1.167 0.000 1.029 107 A HN 0.227 nan 8.150 nan 0.000 0.489 108 P HA 0.090 nan 4.420 nan 0.000 0.269 108 P C 1.089 178.338 177.300 -0.085 0.000 1.215 108 P CA -0.340 62.719 63.100 -0.069 0.000 0.780 108 P CB 0.412 32.117 31.700 0.008 0.000 0.898 109 L N 1.451 122.643 121.223 -0.052 0.000 2.010 109 L HA -0.284 4.056 4.340 -0.000 0.000 0.219 109 L C 1.877 178.676 176.870 -0.120 0.000 1.077 109 L CA 2.068 56.867 54.840 -0.067 0.000 0.773 109 L CB -0.639 41.405 42.059 -0.025 0.000 0.892 109 L HN 0.470 nan 8.230 nan 0.000 0.436 110 K N -0.355 120.015 120.400 -0.050 0.000 2.504 110 K HA -0.063 4.257 4.320 -0.000 0.000 0.195 110 K C 0.501 177.062 176.600 -0.064 0.000 1.036 110 K CA 0.619 56.889 56.287 -0.030 0.000 0.984 110 K CB 0.089 32.735 32.500 0.243 0.000 0.788 110 K HN 0.390 nan 8.250 nan 0.000 0.488 111 E N -0.439 119.718 120.200 -0.071 0.000 2.989 111 E HA 0.178 4.527 4.350 -0.000 0.000 0.207 111 E C 0.295 176.824 176.600 -0.118 0.000 0.989 111 E CA -0.143 56.231 56.400 -0.044 0.000 1.186 111 E CB 1.213 30.934 29.700 0.037 0.000 1.141 111 E HN 0.351 nan 8.360 nan 0.000 0.454 112 G N 0.231 108.946 108.800 -0.142 0.000 2.336 112 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.194 112 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.194 112 G C 1.089 175.977 174.900 -0.021 0.000 0.999 112 G CA -0.177 44.875 45.100 -0.079 0.000 0.669 112 G HN 0.451 nan 8.290 nan 0.000 0.482 113 G N 0.959 109.699 108.800 -0.100 0.000 2.491 113 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.218 113 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.218 113 G C 1.708 176.565 174.900 -0.072 0.000 1.180 113 G CA 1.617 46.663 45.100 -0.090 0.000 0.774 113 G HN 0.530 nan 8.290 nan 0.000 0.562 114 L N -0.589 120.578 121.223 -0.094 0.000 2.083 114 L HA 0.029 4.369 4.340 -0.000 0.000 0.209 114 L C 2.318 179.186 176.870 -0.005 0.000 1.083 114 L CA 0.999 55.792 54.840 -0.078 0.000 0.752 114 L CB -1.192 40.764 42.059 -0.172 0.000 0.899 114 L HN 0.575 nan 8.230 nan 0.000 0.433 115 W N -0.205 121.012 121.300 -0.138 0.000 2.358 115 W HA -0.217 4.443 4.660 -0.000 0.000 0.303 115 W C 2.353 178.878 176.519 0.009 0.000 1.208 115 W CA 1.372 58.723 57.345 0.010 0.000 1.274 115 W CB -0.105 29.334 29.460 -0.036 0.000 1.138 115 W HN 0.057 nan 8.180 nan 0.000 0.515 116 L N 0.134 121.453 121.223 0.160 0.000 2.046 116 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 116 L C 2.417 179.107 176.870 -0.300 0.000 1.077 116 L CA 1.475 56.226 54.840 -0.149 0.000 0.747 116 L CB -0.752 41.185 42.059 -0.203 0.000 0.896 116 L HN 0.042 nan 8.230 nan 0.000 0.432 117 I N -0.455 119.983 120.570 -0.219 0.000 2.179 117 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 117 I C 2.786 178.825 176.117 -0.130 0.000 1.088 117 I CA 1.219 62.379 61.300 -0.233 0.000 1.357 117 I CB -0.456 37.471 38.000 -0.122 0.000 1.051 117 I HN 0.206 nan 8.210 nan 0.000 0.409 118 A N 0.222 123.030 122.820 -0.019 0.000 1.883 118 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 118 A C 2.473 180.110 177.584 0.088 0.000 1.186 118 A CA 2.355 54.450 52.037 0.097 0.000 0.624 118 A CB -0.825 18.091 19.000 -0.140 0.000 0.822 118 A HN 0.418 nan 8.150 nan 0.000 0.444 119 S N -1.028 114.552 115.700 -0.199 0.000 2.382 119 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 119 S C 1.641 176.194 174.600 -0.078 0.000 1.027 119 S CA 1.403 59.464 58.200 -0.232 0.000 0.991 119 S CB -0.535 62.230 63.200 -0.726 0.000 0.823 119 S HN 0.636 nan 8.310 nan 0.000 0.469 120 F N 2.023 121.803 119.950 -0.284 0.000 2.102 120 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 120 F C 1.681 177.436 175.800 -0.074 0.000 1.105 120 F CA 1.193 59.035 58.000 -0.263 0.000 1.239 120 F CB -0.531 38.180 39.000 -0.482 0.000 0.991 120 F HN 0.095 nan 8.300 nan 0.000 0.474 121 F N 0.077 119.996 119.950 -0.050 0.000 2.126 121 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 121 F C 2.696 178.402 175.800 -0.157 0.000 1.096 121 F CA 1.753 59.683 58.000 -0.117 0.000 1.255 121 F CB -1.114 37.897 39.000 0.018 0.000 0.997 121 F HN 0.064 nan 8.300 nan 0.000 0.479 122 M N -1.279 118.323 119.600 0.003 0.000 2.117 122 M HA -0.237 4.243 4.480 -0.000 0.000 0.262 122 M C 2.325 178.603 176.300 -0.038 0.000 1.065 122 M CA 1.714 56.824 55.300 -0.315 0.000 1.114 122 M CB -0.426 31.781 32.600 -0.654 0.000 1.361 122 M HN 0.204 nan 8.290 nan 0.000 0.408 123 F N 0.112 120.052 119.950 -0.017 0.000 2.102 123 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 123 F C 2.190 178.068 175.800 0.130 0.000 1.105 123 F CA 1.999 60.104 58.000 0.176 0.000 1.239 123 F CB -0.463 38.525 39.000 -0.021 0.000 0.991 123 F HN 0.076 nan 8.300 nan 0.000 0.474 124 V N 0.523 120.496 119.914 0.099 0.000 2.515 124 V HA -0.102 4.018 4.120 -0.000 0.000 0.250 124 V C 2.250 178.370 176.094 0.044 0.000 1.058 124 V CA 1.751 64.079 62.300 0.045 0.000 1.064 124 V CB -1.140 30.633 31.823 -0.083 0.000 0.675 124 V HN 0.402 nan 8.190 nan 0.000 0.461 125 A N 0.176 122.984 122.820 -0.020 0.000 1.865 125 A HA -0.118 4.201 4.320 -0.000 0.000 0.217 125 A C 2.378 179.933 177.584 -0.049 0.000 1.191 125 A CA 2.537 54.551 52.037 -0.039 0.000 0.623 125 A CB -0.981 17.923 19.000 -0.160 0.000 0.826 125 A HN 0.540 nan 8.150 nan 0.000 0.444 126 V N -2.482 117.277 119.914 -0.258 0.000 2.323 126 V HA -0.250 3.870 4.120 -0.000 0.000 0.244 126 V C 2.266 178.195 176.094 -0.274 0.000 1.041 126 V CA 1.660 63.697 62.300 -0.438 0.000 1.025 126 V CB -1.053 30.027 31.823 -1.238 0.000 0.656 126 V HN 0.777 nan 8.190 nan 0.000 0.451 127 W N 0.921 122.100 121.300 -0.202 0.000 2.381 127 W HA -0.193 4.467 4.660 -0.000 0.000 0.301 127 W C 2.997 179.575 176.519 0.099 0.000 1.205 127 W CA 1.641 58.918 57.345 -0.113 0.000 1.285 127 W CB -0.469 28.800 29.460 -0.317 0.000 1.133 127 W HN 0.350 nan 8.180 nan 0.000 0.521 128 S N -0.857 115.016 115.700 0.287 0.000 2.399 128 S HA -0.253 4.217 4.470 -0.000 0.000 0.231 128 S C 1.698 176.429 174.600 0.218 0.000 1.022 128 S CA 0.958 59.297 58.200 0.231 0.000 0.983 128 S CB -1.190 62.118 63.200 0.181 0.000 0.803 128 S HN 0.481 nan 8.310 nan 0.000 0.480 129 W N 0.818 122.173 121.300 0.092 0.000 2.381 129 W HA -0.082 4.578 4.660 -0.000 0.000 0.301 129 W C 1.975 178.646 176.519 0.253 0.000 1.205 129 W CA 0.985 58.394 57.345 0.107 0.000 1.285 129 W CB -0.519 28.974 29.460 0.056 0.000 1.133 129 W HN 0.513 nan 8.180 nan 0.000 0.521 130 W N 1.523 122.985 121.300 0.271 0.000 2.335 130 W HA -0.135 4.525 4.660 -0.000 0.000 0.311 130 W C 2.483 179.053 176.519 0.085 0.000 1.213 130 W CA 3.366 60.814 57.345 0.172 0.000 1.274 130 W CB -0.895 28.463 29.460 -0.170 0.000 1.148 130 W HN -0.112 nan 8.180 nan 0.000 0.498 131 G N 0.303 109.181 108.800 0.129 0.000 2.476 131 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.218 131 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.218 131 G C 1.550 176.277 174.900 -0.289 0.000 1.164 131 G CA 1.273 46.284 45.100 -0.148 0.000 0.768 131 G HN 0.312 nan 8.290 nan 0.000 0.560 132 R N -0.527 119.804 120.500 -0.281 0.000 2.096 132 R HA -0.110 4.230 4.340 -0.000 0.000 0.240 132 R C 2.762 178.772 176.300 -0.484 0.000 1.139 132 R CA 2.066 57.917 56.100 -0.414 0.000 0.952 132 R CB -0.739 29.166 30.300 -0.659 0.000 0.854 132 R HN 0.317 nan 8.270 nan 0.000 0.436 133 T N -0.465 113.774 114.554 -0.525 0.000 2.699 133 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 133 T C 1.263 175.670 174.700 -0.488 0.000 1.036 133 T CA 1.717 63.537 62.100 -0.466 0.000 1.147 133 T CB -0.355 68.324 68.868 -0.316 0.000 0.862 133 T HN 0.379 nan 8.240 nan 0.000 0.446 134 Y N 0.947 120.816 120.300 -0.718 0.000 2.206 134 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 134 Y C 1.965 177.579 175.900 -0.477 0.000 1.123 134 Y CA 1.046 58.721 58.100 -0.709 0.000 1.142 134 Y CB -0.288 37.588 38.460 -0.974 0.000 1.006 134 Y HN 0.126 nan 8.280 nan 0.000 0.518 135 L N -0.409 120.718 121.223 -0.160 0.000 2.156 135 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 135 L C 2.319 179.003 176.870 -0.310 0.000 1.095 135 L CA 0.629 55.368 54.840 -0.168 0.000 0.770 135 L CB -0.420 41.557 42.059 -0.137 0.000 0.914 135 L HN 0.035 nan 8.230 nan 0.000 0.439 136 R N 0.453 120.727 120.500 -0.377 0.000 2.115 136 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 136 R C 2.266 178.356 176.300 -0.350 0.000 1.111 136 R CA 1.284 57.139 56.100 -0.408 0.000 0.976 136 R CB -1.152 28.905 30.300 -0.405 0.000 0.870 136 R HN 0.334 nan 8.270 nan 0.000 0.445 137 A N 0.592 123.188 122.820 -0.374 0.000 1.872 137 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 137 A C 2.165 179.549 177.584 -0.333 0.000 1.187 137 A CA 1.199 53.024 52.037 -0.354 0.000 0.614 137 A CB -0.456 18.283 19.000 -0.434 0.000 0.826 137 A HN 0.361 nan 8.150 nan 0.000 0.442 138 Q N -0.379 119.190 119.800 -0.384 0.000 2.096 138 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 138 Q C 2.081 177.963 176.000 -0.195 0.000 0.982 138 Q CA 1.721 57.358 55.803 -0.277 0.000 0.850 138 Q CB -0.326 28.289 28.738 -0.205 0.000 0.901 138 Q HN 0.606 nan 8.270 nan 0.000 0.422 139 A N 0.049 122.740 122.820 -0.215 0.000 2.121 139 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 139 A C 1.667 179.156 177.584 -0.158 0.000 1.154 139 A CA 0.773 52.700 52.037 -0.184 0.000 0.679 139 A CB -0.150 18.703 19.000 -0.245 0.000 0.795 139 A HN 0.428 nan 8.150 nan 0.000 0.458 140 L N -1.526 119.594 121.223 -0.172 0.000 2.640 140 L HA 0.271 4.611 4.340 -0.000 0.000 0.230 140 L C 1.547 178.346 176.870 -0.119 0.000 1.123 140 L CA 0.449 55.206 54.840 -0.138 0.000 0.900 140 L CB 0.107 42.077 42.059 -0.149 0.000 1.146 140 L HN 0.487 nan 8.230 nan 0.000 0.484 141 G N 0.500 109.225 108.800 -0.125 0.000 2.168 141 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.257 141 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.257 141 G C 0.303 175.140 174.900 -0.105 0.000 0.997 141 G CA 0.288 45.326 45.100 -0.103 0.000 0.708 141 G HN 0.283 nan 8.290 nan 0.000 0.520 142 M N 0.377 119.894 119.600 -0.137 0.000 2.227 142 M HA 0.506 4.986 4.480 -0.000 0.000 0.316 142 M C 1.477 177.701 176.300 -0.128 0.000 1.144 142 M CA 0.165 55.390 55.300 -0.124 0.000 1.121 142 M CB 0.522 33.035 32.600 -0.144 0.000 1.440 142 M HN 0.213 nan 8.290 nan 0.000 0.473 143 G N 0.690 109.467 108.800 -0.038 0.000 2.699 143 G HA2 0.125 4.085 3.960 -0.000 0.000 0.246 143 G HA3 0.125 4.085 3.960 -0.000 0.000 0.246 143 G C 0.201 175.019 174.900 -0.136 0.000 1.219 143 G CA -0.566 44.543 45.100 0.015 0.000 0.866 143 G HN 0.649 nan 8.290 nan 0.000 0.572 144 K N -0.118 120.081 120.400 -0.335 0.000 2.570 144 K HA 0.120 4.440 4.320 -0.000 0.000 0.210 144 K C 1.230 177.418 176.600 -0.687 0.000 1.048 144 K CA -0.156 55.720 56.287 -0.686 0.000 1.167 144 K CB 0.019 31.919 32.500 -0.999 0.000 0.892 144 K HN 0.595 nan 8.250 nan 0.000 0.480 145 H N 0.265 119.170 119.070 -0.275 0.000 2.387 145 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 145 H C 1.687 176.934 175.328 -0.136 0.000 1.090 145 H CA 1.938 57.921 56.048 -0.109 0.000 1.332 145 H CB -0.190 29.534 29.762 -0.063 0.000 1.386 145 H HN 0.088 nan 8.280 nan 0.000 0.516 146 T N 0.254 114.758 114.554 -0.082 0.000 2.708 146 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 146 T C 2.413 177.088 174.700 -0.041 0.000 1.037 146 T CA 1.254 63.307 62.100 -0.079 0.000 1.146 146 T CB -0.532 68.250 68.868 -0.144 0.000 0.865 146 T HN 0.521 nan 8.240 nan 0.000 0.435 147 A N 0.671 123.343 122.820 -0.246 0.000 1.908 147 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 147 A C 2.160 179.900 177.584 0.259 0.000 1.181 147 A CA 1.434 53.352 52.037 -0.198 0.000 0.627 147 A CB -1.232 17.344 19.000 -0.707 0.000 0.818 147 A HN 0.748 nan 8.150 nan 0.000 0.445 148 W N -0.515 120.914 121.300 0.214 0.000 2.358 148 W HA -0.048 4.612 4.660 -0.000 0.000 0.303 148 W C 2.778 179.350 176.519 0.088 0.000 1.208 148 W CA 0.550 57.985 57.345 0.149 0.000 1.274 148 W CB -0.117 29.339 29.460 -0.007 0.000 1.138 148 W HN 0.410 nan 8.180 nan 0.000 0.515 149 A N 0.140 123.124 122.820 0.274 0.000 1.898 149 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 149 A C 1.749 179.490 177.584 0.261 0.000 1.181 149 A CA 1.317 53.446 52.037 0.154 0.000 0.620 149 A CB -1.177 17.863 19.000 0.068 0.000 0.819 149 A HN 0.334 nan 8.150 nan 0.000 0.442 150 F N 0.356 120.389 119.950 0.138 0.000 2.171 150 F HA -0.128 4.398 4.527 -0.000 0.000 0.300 150 F C 1.764 177.661 175.800 0.162 0.000 1.090 150 F CA 1.204 59.292 58.000 0.146 0.000 1.293 150 F CB -0.703 38.404 39.000 0.178 0.000 1.013 150 F HN 0.179 nan 8.300 nan 0.000 0.486 151 L N -0.085 121.266 121.223 0.213 0.000 2.081 151 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 151 L C 2.779 179.686 176.870 0.062 0.000 1.080 151 L CA 2.130 56.970 54.840 0.000 0.000 0.754 151 L CB -1.354 40.825 42.059 0.200 0.000 0.893 151 L HN 0.291 nan 8.230 nan 0.000 0.433 152 S N -1.281 114.500 115.700 0.134 0.000 2.368 152 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 152 S C 2.141 176.871 174.600 0.217 0.000 1.030 152 S CA 1.200 59.499 58.200 0.166 0.000 0.999 152 S CB -0.302 62.963 63.200 0.109 0.000 0.844 152 S HN 0.591 nan 8.310 nan 0.000 0.459 153 A N 1.335 124.256 122.820 0.168 0.000 1.873 153 A HA 0.052 4.372 4.320 -0.000 0.000 0.215 153 A C 2.111 179.752 177.584 0.094 0.000 1.186 153 A CA 1.419 53.547 52.037 0.151 0.000 0.616 153 A CB -0.793 18.326 19.000 0.198 0.000 0.823 153 A HN 0.615 nan 8.150 nan 0.000 0.442 154 I N -1.120 119.408 120.570 -0.069 0.000 2.335 154 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 154 I C 2.468 178.687 176.117 0.170 0.000 1.129 154 I CA 1.369 62.589 61.300 -0.133 0.000 1.402 154 I CB -0.293 37.284 38.000 -0.706 0.000 1.069 154 I HN 0.775 nan 8.210 nan 0.000 0.424 155 W N 1.666 122.964 121.300 -0.004 0.000 2.355 155 W HA -0.283 4.377 4.660 -0.000 0.000 0.309 155 W C 2.282 178.852 176.519 0.085 0.000 1.206 155 W CA 1.154 58.529 57.345 0.050 0.000 1.284 155 W CB -0.286 29.193 29.460 0.033 0.000 1.145 155 W HN 0.153 nan 8.180 nan 0.000 0.502 156 L N 1.160 122.354 121.223 -0.048 0.000 2.017 156 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 156 L C 2.356 179.186 176.870 -0.066 0.000 1.073 156 L CA 2.830 57.569 54.840 -0.169 0.000 0.745 156 L CB -1.754 40.311 42.059 0.011 0.000 0.894 156 L HN 0.236 nan 8.230 nan 0.000 0.432 157 W N -0.154 121.064 121.300 -0.136 0.000 2.338 157 W HA -0.263 4.397 4.660 -0.000 0.000 0.304 157 W C 2.225 178.702 176.519 -0.070 0.000 1.212 157 W CA 2.041 59.318 57.345 -0.114 0.000 1.264 157 W CB -0.241 29.129 29.460 -0.150 0.000 1.142 157 W HN 0.115 nan 8.180 nan 0.000 0.512 158 M N 0.027 119.503 119.600 -0.207 0.000 2.132 158 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 158 M C 1.958 178.157 176.300 -0.169 0.000 1.065 158 M CA 1.346 56.465 55.300 -0.302 0.000 1.122 158 M CB -1.567 31.051 32.600 0.029 0.000 1.365 158 M HN -0.008 nan 8.290 nan 0.000 0.411 159 V N 0.720 120.454 119.914 -0.299 0.000 2.295 159 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 159 V C 2.507 178.510 176.094 -0.152 0.000 1.049 159 V CA 1.495 63.598 62.300 -0.328 0.000 1.024 159 V CB -0.612 30.839 31.823 -0.619 0.000 0.648 159 V HN 0.396 nan 8.190 nan 0.000 0.447 160 L N 0.062 121.191 121.223 -0.156 0.000 2.046 160 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 160 L C 2.344 179.190 176.870 -0.040 0.000 1.077 160 L CA 1.902 56.685 54.840 -0.094 0.000 0.747 160 L CB -0.763 41.213 42.059 -0.140 0.000 0.896 160 L HN 0.486 nan 8.230 nan 0.000 0.432 161 G N -2.776 105.977 108.800 -0.079 0.000 2.833 161 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.210 161 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.210 161 G C 0.932 176.023 174.900 0.318 0.000 1.139 161 G CA 0.002 45.147 45.100 0.075 0.000 0.771 161 G HN 0.260 nan 8.290 nan 0.000 0.535 162 F N -0.274 119.702 119.950 0.043 0.000 2.102 162 F HA 0.373 4.900 4.527 -0.000 0.000 0.254 162 F C 2.058 177.936 175.800 0.129 0.000 0.975 162 F CA -0.027 58.082 58.000 0.182 0.000 1.176 162 F CB -0.001 39.065 39.000 0.110 0.000 1.358 162 F HN -0.044 nan 8.300 nan 0.000 0.728 163 I N 0.812 121.483 120.570 0.168 0.000 2.202 163 I HA -0.190 3.980 4.170 -0.000 0.000 0.242 163 I C 2.544 178.632 176.117 -0.048 0.000 1.091 163 I CA 1.461 62.778 61.300 0.029 0.000 1.368 163 I CB -0.518 37.533 38.000 0.086 0.000 1.058 163 I HN 0.134 nan 8.210 nan 0.000 0.410 164 R N 1.027 121.518 120.500 -0.015 0.000 2.066 164 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 164 R C -0.378 175.922 176.300 -0.001 0.000 1.131 164 R CA 1.613 57.719 56.100 0.010 0.000 0.955 164 R CB -1.106 29.235 30.300 0.068 0.000 0.851 164 R HN 0.190 nan 8.270 nan 0.000 0.432 165 P HA -0.167 nan 4.420 nan 0.000 0.216 165 P C 1.142 178.282 177.300 -0.267 0.000 1.153 165 P CA 1.426 64.500 63.100 -0.042 0.000 0.858 165 P CB -0.030 31.744 31.700 0.124 0.000 0.789 166 I N -1.442 118.909 120.570 -0.365 0.000 2.179 166 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 166 I C 2.237 178.183 176.117 -0.284 0.000 1.088 166 I CA 1.412 62.432 61.300 -0.467 0.000 1.357 166 I CB -0.621 37.062 38.000 -0.528 0.000 1.051 166 I HN -0.111 nan 8.210 nan 0.000 0.409 167 L N -0.408 120.709 121.223 -0.178 0.000 2.131 167 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 167 L C 2.458 179.264 176.870 -0.106 0.000 1.092 167 L CA 0.854 55.625 54.840 -0.115 0.000 0.759 167 L CB -0.443 41.580 42.059 -0.060 0.000 0.903 167 L HN 0.313 nan 8.230 nan 0.000 0.435 168 M N -0.695 118.843 119.600 -0.102 0.000 2.476 168 M HA 0.078 4.558 4.480 -0.000 0.000 0.262 168 M C 1.663 177.885 176.300 -0.129 0.000 1.079 168 M CA 1.145 56.394 55.300 -0.085 0.000 1.104 168 M CB -0.994 31.582 32.600 -0.039 0.000 1.409 168 M HN 0.436 nan 8.290 nan 0.000 0.467 169 G N 1.545 110.225 108.800 -0.201 0.000 2.141 169 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.242 169 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.242 169 G C 0.123 174.863 174.900 -0.267 0.000 0.982 169 G CA 0.462 45.423 45.100 -0.232 0.000 0.662 169 G HN 0.686 nan 8.290 nan 0.000 0.527 170 S N -2.304 113.222 115.700 -0.289 0.000 2.537 170 S HA 0.534 5.004 4.470 -0.000 0.000 0.271 170 S C 0.269 174.723 174.600 -0.244 0.000 1.148 170 S CA -0.234 57.800 58.200 -0.277 0.000 0.868 170 S CB 0.613 63.746 63.200 -0.110 0.000 1.115 170 S HN 0.415 nan 8.310 nan 0.000 0.461 171 W N 1.476 122.758 121.300 -0.030 0.000 2.595 171 W HA 0.012 4.672 4.660 -0.000 0.000 0.257 171 W C 2.570 178.953 176.519 -0.226 0.000 1.267 171 W CA 0.564 57.856 57.345 -0.089 0.000 1.300 171 W CB -0.044 29.390 29.460 -0.043 0.000 1.120 171 W HN 0.927 nan 8.180 nan 0.000 0.618 172 S N 0.019 115.744 115.700 0.042 0.000 2.507 172 S HA -0.155 4.315 4.470 -0.000 0.000 0.235 172 S C 1.422 176.045 174.600 0.039 0.000 0.988 172 S CA 1.039 59.230 58.200 -0.015 0.000 0.944 172 S CB -0.218 62.995 63.200 0.023 0.000 0.762 172 S HN 0.243 nan 8.310 nan 0.000 0.526 173 E N 1.372 121.628 120.200 0.093 0.000 2.435 173 E HA 0.309 4.659 4.350 -0.000 0.000 0.195 173 E C 1.099 177.916 176.600 0.363 0.000 1.029 173 E CA 0.482 57.017 56.400 0.226 0.000 0.865 173 E CB -0.092 29.713 29.700 0.177 0.000 0.833 173 E HN 0.729 nan 8.360 nan 0.000 0.510 174 A N 1.021 123.938 122.820 0.163 0.000 2.280 174 A HA 0.300 4.620 4.320 -0.000 0.000 0.268 174 A C 0.412 177.885 177.584 -0.185 0.000 1.111 174 A CA -0.438 51.655 52.037 0.095 0.000 0.814 174 A CB 0.541 19.676 19.000 0.226 0.000 1.093 174 A HN -0.041 nan 8.150 nan 0.000 0.498 175 V N 2.312 121.966 119.914 -0.434 0.000 2.583 175 V HA 0.313 4.433 4.120 -0.000 0.000 0.287 175 V C -1.873 174.015 176.094 -0.343 0.000 1.051 175 V CA -1.056 60.745 62.300 -0.832 0.000 1.010 175 V CB 0.831 32.144 31.823 -0.851 0.000 0.988 175 V HN 0.842 nan 8.190 nan 0.000 0.478 176 P HA 0.244 nan 4.420 nan 0.000 0.276 176 P C -1.453 175.817 177.300 -0.050 0.000 1.244 176 P CA -0.453 62.610 63.100 -0.062 0.000 0.801 176 P CB 0.531 32.278 31.700 0.077 0.000 1.006 177 Y N 0.464 120.973 120.300 0.349 0.000 2.535 177 Y HA 0.601 5.151 4.550 -0.000 0.000 0.349 177 Y C 1.282 177.369 175.900 0.312 0.000 0.992 177 Y CA 0.222 58.464 58.100 0.236 0.000 1.248 177 Y CB 0.390 38.919 38.460 0.114 0.000 1.124 177 Y HN 0.566 nan 8.280 nan 0.000 0.520 178 G N 1.970 110.990 108.800 0.367 0.000 2.596 178 G HA2 0.312 4.272 3.960 -0.000 0.000 0.296 178 G HA3 0.312 4.272 3.960 -0.000 0.000 0.296 178 G C -0.136 174.892 174.900 0.214 0.000 1.513 178 G CA -0.781 44.538 45.100 0.365 0.000 0.851 178 G HN 0.233 nan 8.290 nan 0.000 0.548 179 I N 0.782 121.378 120.570 0.043 0.000 2.110 179 I HA 0.006 4.176 4.170 -0.000 0.000 0.236 179 I C 2.489 178.731 176.117 0.209 0.000 1.068 179 I CA 1.338 62.592 61.300 -0.076 0.000 1.333 179 I CB -0.977 36.576 38.000 -0.745 0.000 1.054 179 I HN 0.455 nan 8.210 nan 0.000 0.402 180 F N 1.773 121.671 119.950 -0.087 0.000 2.163 180 F HA -0.114 4.413 4.527 -0.000 0.000 0.297 180 F C 3.010 178.820 175.800 0.017 0.000 1.094 180 F CA 1.088 59.029 58.000 -0.098 0.000 1.290 180 F CB -1.665 37.170 39.000 -0.275 0.000 1.017 180 F HN 0.181 nan 8.300 nan 0.000 0.483 181 S N 0.247 116.108 115.700 0.269 0.000 2.387 181 S HA -0.287 4.183 4.470 -0.000 0.000 0.230 181 S C 2.112 176.890 174.600 0.297 0.000 1.035 181 S CA 1.730 60.083 58.200 0.255 0.000 1.014 181 S CB -1.321 62.027 63.200 0.247 0.000 0.836 181 S HN 0.655 nan 8.310 nan 0.000 0.466 182 H N 2.147 121.324 119.070 0.178 0.000 2.495 182 H HA 0.157 4.713 4.556 -0.000 0.000 0.287 182 H C 1.904 177.373 175.328 0.235 0.000 1.033 182 H CA 1.200 57.351 56.048 0.172 0.000 1.307 182 H CB -0.563 29.255 29.762 0.093 0.000 1.401 182 H HN 0.468 nan 8.280 nan 0.000 0.555 183 L N 0.783 121.904 121.223 -0.171 0.000 2.044 183 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 183 L C 2.358 179.241 176.870 0.022 0.000 1.075 183 L CA 1.265 56.014 54.840 -0.152 0.000 0.747 183 L CB -0.395 41.597 42.059 -0.112 0.000 0.903 183 L HN 0.119 nan 8.230 nan 0.000 0.435 184 D N -0.416 120.031 120.400 0.079 0.000 2.133 184 D HA -0.260 4.380 4.640 -0.000 0.000 0.195 184 D C 1.762 178.155 176.300 0.155 0.000 0.997 184 D CA 1.343 55.399 54.000 0.095 0.000 0.840 184 D CB -0.312 40.556 40.800 0.113 0.000 0.947 184 D HN 0.446 nan 8.370 nan 0.000 0.452 185 W N 1.704 123.033 121.300 0.047 0.000 2.338 185 W HA -0.227 4.432 4.660 -0.000 0.000 0.304 185 W C 2.287 178.864 176.519 0.097 0.000 1.212 185 W CA 2.218 59.613 57.345 0.084 0.000 1.264 185 W CB -0.364 29.158 29.460 0.104 0.000 1.142 185 W HN -0.150 nan 8.180 nan 0.000 0.512 186 T N 0.409 115.175 114.554 0.353 0.000 2.674 186 T HA -0.295 4.055 4.350 -0.000 0.000 0.265 186 T C 1.436 176.133 174.700 -0.005 0.000 1.039 186 T CA 1.788 63.988 62.100 0.167 0.000 1.150 186 T CB -0.801 68.157 68.868 0.150 0.000 0.864 186 T HN 0.253 nan 8.240 nan 0.000 0.427 187 N N 1.735 120.432 118.700 -0.004 0.000 2.061 187 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 187 N C 1.811 177.286 175.510 -0.058 0.000 1.030 187 N CA 1.500 54.528 53.050 -0.037 0.000 0.856 187 N CB -0.516 37.953 38.487 -0.030 0.000 1.023 187 N HN 0.221 nan 8.380 nan 0.000 0.424 188 N N -0.628 118.028 118.700 -0.074 0.000 2.069 188 N HA -0.197 4.543 4.740 -0.000 0.000 0.191 188 N C 1.643 177.052 175.510 -0.169 0.000 1.031 188 N CA 1.100 54.076 53.050 -0.123 0.000 0.852 188 N CB -0.452 37.947 38.487 -0.147 0.000 1.018 188 N HN 0.308 nan 8.380 nan 0.000 0.423 189 F N 1.457 121.143 119.950 -0.439 0.000 2.091 189 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 189 F C 2.913 178.669 175.800 -0.073 0.000 1.103 189 F CA 1.819 59.585 58.000 -0.391 0.000 1.228 189 F CB -0.688 37.845 39.000 -0.779 0.000 0.984 189 F HN -0.024 nan 8.300 nan 0.000 0.477 190 S N 0.154 115.908 115.700 0.090 0.000 2.356 190 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 190 S C 2.163 176.765 174.600 0.003 0.000 1.032 190 S CA 1.510 59.734 58.200 0.039 0.000 1.005 190 S CB -0.568 62.587 63.200 -0.075 0.000 0.867 190 S HN 0.436 nan 8.310 nan 0.000 0.449 191 L N 0.810 122.003 121.223 -0.049 0.000 2.042 191 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 191 L C 2.441 179.254 176.870 -0.096 0.000 1.076 191 L CA 1.088 55.893 54.840 -0.058 0.000 0.749 191 L CB -0.512 41.505 42.059 -0.070 0.000 0.893 191 L HN 0.245 nan 8.230 nan 0.000 0.432 192 V N -1.342 118.456 119.914 -0.194 0.000 3.041 192 V HA -0.157 3.963 4.120 -0.000 0.000 0.260 192 V C 1.607 177.407 176.094 -0.490 0.000 1.105 192 V CA 1.083 63.176 62.300 -0.345 0.000 1.125 192 V CB -0.600 30.964 31.823 -0.433 0.000 0.730 192 V HN 0.457 nan 8.190 nan 0.000 0.479 193 H N -0.479 118.478 119.070 -0.188 0.000 2.505 193 H HA 0.318 4.873 4.556 -0.000 0.000 0.286 193 H C 1.693 177.080 175.328 0.098 0.000 1.072 193 H CA 0.704 56.693 56.048 -0.098 0.000 1.141 193 H CB 0.430 30.120 29.762 -0.119 0.000 1.550 193 H HN 0.431 nan 8.280 nan 0.000 0.547 194 G N 2.224 111.104 108.800 0.134 0.000 2.160 194 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.244 194 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.244 194 G C -0.184 174.920 174.900 0.340 0.000 1.022 194 G CA 0.320 45.535 45.100 0.192 0.000 0.741 194 G HN 0.595 nan 8.290 nan 0.000 0.508 195 N N -2.429 116.439 118.700 0.280 0.000 3.596 195 N HA -0.125 4.615 4.740 -0.000 0.000 0.265 195 N C 0.615 176.294 175.510 0.282 0.000 1.939 195 N CA 0.715 53.915 53.050 0.251 0.000 2.197 195 N CB -1.173 37.526 38.487 0.353 0.000 0.622 195 N HN 0.656 nan 8.380 nan 0.000 0.510 196 L N 3.866 125.109 121.223 0.033 0.000 2.456 196 L HA 0.185 4.525 4.340 -0.000 0.000 0.224 196 L C 1.602 178.511 176.870 0.066 0.000 1.148 196 L CA 1.118 55.899 54.840 -0.099 0.000 0.825 196 L CB -0.427 41.377 42.059 -0.424 0.000 0.937 196 L HN 0.606 nan 8.230 nan 0.000 0.450 197 F N -1.906 118.076 119.950 0.053 0.000 2.641 197 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 197 F C 1.415 177.071 175.800 -0.239 0.000 1.146 197 F CA 0.487 58.442 58.000 -0.076 0.000 1.464 197 F CB -0.915 37.964 39.000 -0.203 0.000 1.101 197 F HN 0.155 nan 8.300 nan 0.000 0.585 198 Y N -1.171 119.337 120.300 0.346 0.000 2.457 198 Y HA 0.096 4.646 4.550 -0.000 0.000 0.263 198 Y C 0.837 176.861 175.900 0.206 0.000 1.164 198 Y CA -0.459 57.853 58.100 0.352 0.000 1.274 198 Y CB -0.614 38.148 38.460 0.502 0.000 1.097 198 Y HN -0.034 nan 8.280 nan 0.000 0.523 199 N N 2.914 121.551 118.700 -0.105 0.000 2.437 199 N HA 0.065 4.805 4.740 -0.000 0.000 0.243 199 N C -1.844 173.469 175.510 -0.328 0.000 1.041 199 N CA -1.667 50.865 53.050 -0.863 0.000 0.940 199 N CB 1.061 38.723 38.487 -1.375 0.000 1.133 199 N HN -0.084 nan 8.380 nan 0.000 0.506 200 P HA -0.142 nan 4.420 nan 0.000 0.220 200 P C 0.677 177.853 177.300 -0.206 0.000 1.148 200 P CA 1.093 64.118 63.100 -0.124 0.000 0.803 200 P CB 0.048 31.714 31.700 -0.056 0.000 0.782 201 F N -0.745 119.123 119.950 -0.136 0.000 2.259 201 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 201 F C 2.895 178.702 175.800 0.012 0.000 1.088 201 F CA 1.051 59.034 58.000 -0.029 0.000 1.358 201 F CB -1.260 37.725 39.000 -0.026 0.000 1.040 201 F HN 0.084 nan 8.300 nan 0.000 0.505 202 H N 0.525 119.592 119.070 -0.005 0.000 2.321 202 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 202 H C 2.242 177.573 175.328 0.005 0.000 1.087 202 H CA 1.677 57.717 56.048 -0.014 0.000 1.319 202 H CB -0.235 29.474 29.762 -0.088 0.000 1.379 202 H HN 0.205 nan 8.280 nan 0.000 0.501 203 L N 0.342 121.504 121.223 -0.103 0.000 2.042 203 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 203 L C 2.758 179.511 176.870 -0.194 0.000 1.076 203 L CA 0.541 55.272 54.840 -0.182 0.000 0.749 203 L CB -0.424 41.571 42.059 -0.106 0.000 0.893 203 L HN 0.299 nan 8.230 nan 0.000 0.432 204 L N -0.546 120.615 121.223 -0.104 0.000 2.056 204 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 204 L C 2.829 179.695 176.870 -0.006 0.000 1.078 204 L CA 1.587 56.367 54.840 -0.100 0.000 0.749 204 L CB -1.288 40.838 42.059 0.112 0.000 0.901 204 L HN 0.194 nan 8.230 nan 0.000 0.433 205 S N -0.420 115.354 115.700 0.124 0.000 2.359 205 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 205 S C 2.074 176.675 174.600 0.003 0.000 1.035 205 S CA 1.333 59.646 58.200 0.187 0.000 1.018 205 S CB -0.128 63.165 63.200 0.156 0.000 0.876 205 S HN 0.365 nan 8.310 nan 0.000 0.448 206 I N 1.425 121.854 120.570 -0.235 0.000 2.208 206 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 206 I C 2.724 178.496 176.117 -0.575 0.000 1.097 206 I CA 1.164 62.179 61.300 -0.475 0.000 1.363 206 I CB -0.524 37.120 38.000 -0.593 0.000 1.051 206 I HN 0.356 nan 8.210 nan 0.000 0.413 207 A N 0.738 123.290 122.820 -0.446 0.000 1.902 207 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 207 A C 2.026 179.440 177.584 -0.284 0.000 1.181 207 A CA 1.642 53.435 52.037 -0.405 0.000 0.623 207 A CB -0.886 17.813 19.000 -0.500 0.000 0.818 207 A HN 0.346 nan 8.150 nan 0.000 0.443 208 F N -0.965 118.988 119.950 0.004 0.000 2.259 208 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 208 F C 1.958 177.812 175.800 0.090 0.000 1.088 208 F CA 0.852 58.897 58.000 0.075 0.000 1.358 208 F CB -0.666 38.394 39.000 0.100 0.000 1.040 208 F HN 0.226 nan 8.300 nan 0.000 0.505 209 L N -0.889 120.453 121.223 0.200 0.000 2.005 209 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 209 L C 2.307 179.341 176.870 0.273 0.000 1.072 209 L CA 1.827 56.780 54.840 0.188 0.000 0.744 209 L CB -1.059 41.066 42.059 0.109 0.000 0.895 209 L HN 0.029 nan 8.230 nan 0.000 0.433 210 Y N 0.218 120.570 120.300 0.086 0.000 2.128 210 Y HA -0.129 4.421 4.550 -0.000 0.000 0.284 210 Y C 2.587 178.534 175.900 0.078 0.000 1.154 210 Y CA 0.911 59.048 58.100 0.062 0.000 1.149 210 Y CB -1.729 36.742 38.460 0.018 0.000 0.976 210 Y HN 0.276 nan 8.280 nan 0.000 0.505 211 G N -1.302 107.649 108.800 0.252 0.000 2.448 211 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.219 211 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.219 211 G C 1.929 176.948 174.900 0.198 0.000 1.127 211 G CA 1.170 46.389 45.100 0.198 0.000 0.766 211 G HN 0.397 nan 8.290 nan 0.000 0.552 212 S N 0.774 116.611 115.700 0.228 0.000 2.387 212 S HA 0.086 4.556 4.470 -0.000 0.000 0.226 212 S C 2.771 177.503 174.600 0.220 0.000 1.026 212 S CA 1.009 59.334 58.200 0.207 0.000 0.972 212 S CB -0.232 63.095 63.200 0.212 0.000 0.814 212 S HN 0.567 nan 8.310 nan 0.000 0.477 213 A N 1.703 124.650 122.820 0.212 0.000 1.873 213 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 213 A C 2.089 179.766 177.584 0.155 0.000 1.186 213 A CA 1.312 53.461 52.037 0.186 0.000 0.616 213 A CB -0.894 18.195 19.000 0.148 0.000 0.823 213 A HN 0.402 nan 8.150 nan 0.000 0.442 214 L N -0.631 120.667 121.223 0.125 0.000 1.991 214 L HA -0.219 4.121 4.340 -0.000 0.000 0.221 214 L C 2.255 179.169 176.870 0.072 0.000 1.079 214 L CA 2.520 57.410 54.840 0.084 0.000 0.778 214 L CB -0.720 41.376 42.059 0.062 0.000 0.893 214 L HN 0.342 nan 8.230 nan 0.000 0.437 215 L N -1.816 119.452 121.223 0.074 0.000 2.109 215 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 215 L C 2.224 179.182 176.870 0.147 0.000 1.086 215 L CA 1.584 56.437 54.840 0.021 0.000 0.760 215 L CB -0.897 41.160 42.059 -0.003 0.000 0.910 215 L HN 0.314 nan 8.230 nan 0.000 0.437 216 F N -0.018 119.966 119.950 0.057 0.000 2.259 216 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 216 F C 2.346 178.188 175.800 0.070 0.000 1.088 216 F CA 0.575 58.628 58.000 0.087 0.000 1.358 216 F CB -0.908 38.147 39.000 0.092 0.000 1.040 216 F HN 0.177 nan 8.300 nan 0.000 0.505 217 A N 0.041 123.002 122.820 0.235 0.000 1.873 217 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 217 A C 2.327 179.995 177.584 0.138 0.000 1.186 217 A CA 1.756 53.866 52.037 0.122 0.000 0.616 217 A CB -0.711 18.342 19.000 0.088 0.000 0.823 217 A HN 0.349 nan 8.150 nan 0.000 0.442 218 M N -1.770 117.915 119.600 0.141 0.000 2.073 218 M HA -0.213 4.267 4.480 -0.000 0.000 0.258 218 M C 2.317 178.736 176.300 0.198 0.000 1.070 218 M CA 2.276 57.672 55.300 0.160 0.000 1.103 218 M CB -0.552 31.965 32.600 -0.138 0.000 1.321 218 M HN 0.712 nan 8.290 nan 0.000 0.405 219 H N -0.290 118.824 119.070 0.074 0.000 2.333 219 H HA 0.015 4.571 4.556 -0.000 0.000 0.302 219 H C 1.974 177.396 175.328 0.157 0.000 1.075 219 H CA 2.014 58.111 56.048 0.082 0.000 1.348 219 H CB -0.591 29.179 29.762 0.014 0.000 1.393 219 H HN 0.306 nan 8.280 nan 0.000 0.509 220 G N 0.127 109.023 108.800 0.160 0.000 2.446 220 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.217 220 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.217 220 G C 1.913 176.760 174.900 -0.088 0.000 1.168 220 G CA 1.145 46.235 45.100 -0.017 0.000 0.771 220 G HN 0.612 nan 8.290 nan 0.000 0.551 221 A N 0.053 122.853 122.820 -0.034 0.000 1.902 221 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 221 A C 2.535 180.058 177.584 -0.101 0.000 1.181 221 A CA 2.453 54.449 52.037 -0.069 0.000 0.623 221 A CB -0.939 18.039 19.000 -0.036 0.000 0.818 221 A HN 0.303 nan 8.150 nan 0.000 0.443 222 T N 0.406 114.935 114.554 -0.041 0.000 2.708 222 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 222 T C 1.799 176.453 174.700 -0.077 0.000 1.037 222 T CA 1.431 63.508 62.100 -0.037 0.000 1.146 222 T CB -0.261 68.727 68.868 0.201 0.000 0.865 222 T HN 0.291 nan 8.240 nan 0.000 0.435 223 I N 1.093 121.581 120.570 -0.137 0.000 2.252 223 I HA -0.056 4.114 4.170 -0.000 0.000 0.245 223 I C 2.333 178.390 176.117 -0.100 0.000 1.102 223 I CA 1.168 62.391 61.300 -0.128 0.000 1.385 223 I CB -1.210 36.652 38.000 -0.230 0.000 1.064 223 I HN 0.281 nan 8.210 nan 0.000 0.414 224 L N 0.658 121.803 121.223 -0.129 0.000 2.046 224 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 224 L C 2.812 179.606 176.870 -0.126 0.000 1.077 224 L CA 1.377 56.134 54.840 -0.138 0.000 0.747 224 L CB -0.789 41.169 42.059 -0.169 0.000 0.896 224 L HN 0.177 nan 8.230 nan 0.000 0.432 225 A N 0.094 122.838 122.820 -0.125 0.000 1.986 225 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 225 A C 1.981 179.546 177.584 -0.031 0.000 1.171 225 A CA 2.033 54.003 52.037 -0.112 0.000 0.640 225 A CB -0.731 18.164 19.000 -0.174 0.000 0.811 225 A HN 0.392 nan 8.150 nan 0.000 0.451 226 V N -1.948 117.978 119.914 0.020 0.000 3.444 226 V HA 0.125 4.245 4.120 -0.000 0.000 0.308 226 V C 1.649 177.797 176.094 0.091 0.000 1.371 226 V CA 0.959 63.366 62.300 0.177 0.000 1.141 226 V CB -0.695 31.260 31.823 0.221 0.000 1.037 226 V HN 0.577 nan 8.190 nan 0.000 0.433 227 S N 2.354 118.034 115.700 -0.032 0.000 2.447 227 S HA -0.220 4.250 4.470 -0.000 0.000 0.233 227 S C 1.958 176.490 174.600 -0.113 0.000 1.006 227 S CA 1.208 59.377 58.200 -0.051 0.000 0.957 227 S CB -0.725 62.434 63.200 -0.070 0.000 0.773 227 S HN 0.873 nan 8.310 nan 0.000 0.507 228 R N 0.363 120.704 120.500 -0.264 0.000 2.328 228 R HA 0.067 4.407 4.340 -0.000 0.000 0.207 228 R C 0.217 176.139 176.300 -0.631 0.000 1.056 228 R CA 0.928 56.754 56.100 -0.455 0.000 1.016 228 R CB -0.680 29.243 30.300 -0.629 0.000 0.872 228 R HN 0.561 nan 8.270 nan 0.000 0.471 229 F N 0.229 120.177 119.950 -0.003 0.000 2.735 229 F HA 0.457 4.984 4.527 -0.000 0.000 0.304 229 F C 1.114 176.915 175.800 0.001 0.000 1.119 229 F CA -0.222 57.778 58.000 -0.000 0.000 1.280 229 F CB 1.237 40.235 39.000 -0.004 0.000 0.994 229 F HN 0.171 nan 8.300 nan 0.000 0.520 230 G N 0.656 109.507 108.800 0.085 0.000 2.160 230 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 230 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 230 G C 1.437 176.381 174.900 0.074 0.000 1.008 230 G CA 0.235 45.374 45.100 0.065 0.000 0.724 230 G HN 0.686 nan 8.290 nan 0.000 0.514 231 G N 0.940 109.796 108.800 0.092 0.000 2.485 231 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.221 231 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.221 231 G C 1.446 176.381 174.900 0.059 0.000 1.115 231 G CA 1.569 46.721 45.100 0.086 0.000 0.751 231 G HN 0.893 nan 8.290 nan 0.000 0.567 232 E N 0.829 121.049 120.200 0.033 0.000 2.481 232 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 232 E C 0.880 177.498 176.600 0.030 0.000 1.047 232 E CA -0.169 56.246 56.400 0.026 0.000 0.867 232 E CB -0.146 29.551 29.700 -0.005 0.000 0.858 232 E HN 0.309 nan 8.360 nan 0.000 0.513 233 R N 1.789 122.307 120.500 0.030 0.000 3.710 233 R HA 0.136 4.476 4.340 -0.000 0.000 0.201 233 R C 0.766 177.084 176.300 0.030 0.000 1.641 233 R CA -0.009 56.104 56.100 0.022 0.000 1.390 233 R CB 0.067 30.379 30.300 0.020 0.000 1.341 233 R HN 0.253 nan 8.270 nan 0.000 0.728 234 E N 0.989 121.207 120.200 0.030 0.000 2.072 234 E HA -0.196 4.153 4.350 -0.000 0.000 0.191 234 E C 1.395 178.001 176.600 0.009 0.000 0.985 234 E CA 1.066 57.492 56.400 0.044 0.000 0.801 234 E CB 0.019 29.751 29.700 0.054 0.000 0.750 234 E HN 0.461 nan 8.360 nan 0.000 0.452 235 L N 0.818 122.024 121.223 -0.027 0.000 2.013 235 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 235 L C 2.593 179.459 176.870 -0.008 0.000 1.073 235 L CA 1.349 56.170 54.840 -0.032 0.000 0.753 235 L CB -0.353 41.679 42.059 -0.045 0.000 0.890 235 L HN 0.083 nan 8.230 nan 0.000 0.432 236 E N -0.462 119.738 120.200 0.001 0.000 2.208 236 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 236 E C 2.242 178.854 176.600 0.019 0.000 0.988 236 E CA 0.862 57.267 56.400 0.008 0.000 0.828 236 E CB 0.069 29.775 29.700 0.010 0.000 0.763 236 E HN 0.328 nan 8.360 nan 0.000 0.478 237 Q N -0.358 119.460 119.800 0.030 0.000 2.230 237 Q HA -0.040 4.300 4.340 -0.000 0.000 0.202 237 Q C 2.253 178.278 176.000 0.041 0.000 0.963 237 Q CA 0.784 56.611 55.803 0.041 0.000 0.866 237 Q CB 0.058 28.832 28.738 0.060 0.000 0.931 237 Q HN 0.424 nan 8.270 nan 0.000 0.452 238 I N 0.496 121.088 120.570 0.037 0.000 2.202 238 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 238 I C 2.252 178.383 176.117 0.024 0.000 1.091 238 I CA 1.050 62.371 61.300 0.035 0.000 1.368 238 I CB -0.279 37.734 38.000 0.022 0.000 1.058 238 I HN 0.036 nan 8.210 nan 0.000 0.410 239 A N -0.874 121.955 122.820 0.015 0.000 2.067 239 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 239 A C 0.824 178.417 177.584 0.015 0.000 1.158 239 A CA 1.596 53.639 52.037 0.011 0.000 0.661 239 A CB -0.114 18.889 19.000 0.005 0.000 0.801 239 A HN 0.446 nan 8.150 nan 0.000 0.452 240 D N -1.260 119.151 120.400 0.018 0.000 2.826 240 D HA 0.060 4.700 4.640 -0.000 0.000 0.239 240 D C -0.510 175.802 176.300 0.020 0.000 1.329 240 D CA -0.452 53.559 54.000 0.017 0.000 0.854 240 D CB -0.119 40.690 40.800 0.015 0.000 1.494 240 D HN 0.191 nan 8.370 nan 0.000 0.540 241 R N 1.026 121.538 120.500 0.021 0.000 2.481 241 R HA 0.277 4.617 4.340 -0.000 0.000 0.291 241 R C 0.227 176.535 176.300 0.012 0.000 0.934 241 R CA 0.864 56.977 56.100 0.021 0.000 1.116 241 R CB 0.252 30.563 30.300 0.019 0.000 0.895 241 R HN 0.410 nan 8.270 nan 0.000 0.410 242 G N 0.857 109.665 108.800 0.012 0.000 2.667 242 G HA2 0.090 4.049 3.960 -0.000 0.000 0.310 242 G HA3 0.090 4.049 3.960 -0.000 0.000 0.310 242 G C 0.546 175.424 174.900 -0.036 0.000 1.259 242 G CA -0.280 44.821 45.100 0.003 0.000 1.019 242 G HN 0.573 nan 8.290 nan 0.000 0.496 243 T N -0.402 114.108 114.554 -0.072 0.000 2.929 243 T HA -0.048 4.302 4.350 -0.000 0.000 0.271 243 T C 2.547 177.077 174.700 -0.283 0.000 1.085 243 T CA 2.292 64.274 62.100 -0.197 0.000 1.125 243 T CB -0.524 68.178 68.868 -0.276 0.000 0.874 243 T HN 0.661 nan 8.240 nan 0.000 0.494 244 A N 1.248 123.998 122.820 -0.118 0.000 1.851 244 A HA 0.107 4.427 4.320 -0.000 0.000 0.216 244 A C 2.755 180.330 177.584 -0.014 0.000 1.195 244 A CA 2.199 54.237 52.037 0.003 0.000 0.622 244 A CB -1.473 17.616 19.000 0.148 0.000 0.831 244 A HN 0.652 nan 8.150 nan 0.000 0.444 245 A N -0.480 122.343 122.820 0.005 0.000 1.902 245 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 245 A C 1.941 179.517 177.584 -0.013 0.000 1.181 245 A CA 1.720 53.771 52.037 0.024 0.000 0.623 245 A CB -0.556 18.467 19.000 0.038 0.000 0.818 245 A HN 0.673 nan 8.150 nan 0.000 0.443 246 E N -0.486 119.676 120.200 -0.062 0.000 2.047 246 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 246 E C 2.327 178.834 176.600 -0.156 0.000 0.987 246 E CA 1.105 57.447 56.400 -0.096 0.000 0.799 246 E CB -0.187 29.450 29.700 -0.105 0.000 0.752 246 E HN 0.559 nan 8.360 nan 0.000 0.449 247 R N 0.673 121.052 120.500 -0.201 0.000 2.092 247 R HA -0.061 4.279 4.340 -0.000 0.000 0.231 247 R C 2.381 178.594 176.300 -0.146 0.000 1.119 247 R CA 1.013 56.972 56.100 -0.234 0.000 0.970 247 R CB -0.297 29.829 30.300 -0.289 0.000 0.864 247 R HN 0.095 nan 8.270 nan 0.000 0.440 248 A N 1.571 124.360 122.820 -0.051 0.000 1.858 248 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 248 A C 2.428 180.087 177.584 0.125 0.000 1.190 248 A CA 1.725 53.796 52.037 0.055 0.000 0.617 248 A CB -0.786 18.280 19.000 0.109 0.000 0.827 248 A HN 0.382 nan 8.150 nan 0.000 0.443 249 A N -0.403 122.452 122.820 0.058 0.000 1.908 249 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 249 A C 2.172 179.716 177.584 -0.066 0.000 1.181 249 A CA 1.638 53.707 52.037 0.053 0.000 0.627 249 A CB -0.612 18.396 19.000 0.013 0.000 0.818 249 A HN 0.480 nan 8.150 nan 0.000 0.445 250 L N -2.161 118.899 121.223 -0.271 0.000 2.240 250 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 250 L C 2.394 178.787 176.870 -0.795 0.000 1.106 250 L CA 0.938 55.375 54.840 -0.673 0.000 0.793 250 L CB -0.471 41.014 42.059 -0.958 0.000 0.927 250 L HN 0.513 nan 8.230 nan 0.000 0.446 251 F N 0.242 119.835 119.950 -0.594 0.000 2.091 251 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 251 F C 1.960 177.444 175.800 -0.527 0.000 1.103 251 F CA 1.757 59.416 58.000 -0.569 0.000 1.228 251 F CB -0.400 38.218 39.000 -0.636 0.000 0.984 251 F HN -0.018 nan 8.300 nan 0.000 0.477 252 W N 0.309 121.574 121.300 -0.058 0.000 2.453 252 W HA 0.018 4.677 4.660 -0.000 0.000 0.289 252 W C 2.792 179.180 176.519 -0.217 0.000 1.215 252 W CA 1.047 58.312 57.345 -0.134 0.000 1.297 252 W CB -0.507 28.883 29.460 -0.116 0.000 1.113 252 W HN -0.122 nan 8.180 nan 0.000 0.551 253 R N -0.187 120.315 120.500 0.003 0.000 2.091 253 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 253 R C 1.889 178.287 176.300 0.163 0.000 1.136 253 R CA 2.090 58.224 56.100 0.057 0.000 0.959 253 R CB -0.659 29.665 30.300 0.039 0.000 0.856 253 R HN 0.124 nan 8.270 nan 0.000 0.437 254 W N 0.139 121.352 121.300 -0.144 0.000 2.467 254 W HA 0.034 4.694 4.660 -0.000 0.000 0.275 254 W C 2.053 178.434 176.519 -0.229 0.000 1.239 254 W CA 0.887 58.124 57.345 -0.180 0.000 1.266 254 W CB -0.950 28.379 29.460 -0.218 0.000 1.112 254 W HN 0.134 nan 8.180 nan 0.000 0.576 255 T N 0.589 115.063 114.554 -0.135 0.000 2.814 255 T HA -0.084 4.266 4.350 -0.000 0.000 0.254 255 T C 1.689 176.388 174.700 -0.001 0.000 1.037 255 T CA 1.748 63.729 62.100 -0.199 0.000 1.143 255 T CB -0.230 68.339 68.868 -0.498 0.000 0.866 255 T HN 0.190 nan 8.240 nan 0.000 0.431 256 M N -0.845 118.797 119.600 0.071 0.000 2.300 256 M HA 0.598 5.078 4.480 -0.000 0.000 0.313 256 M C 1.253 177.692 176.300 0.232 0.000 0.988 256 M CA 0.229 55.613 55.300 0.139 0.000 1.012 256 M CB 1.028 33.709 32.600 0.135 0.000 1.586 256 M HN 0.289 nan 8.290 nan 0.000 0.562 257 G N 2.060 110.979 108.800 0.199 0.000 2.176 257 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.253 257 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.253 257 G C -0.206 174.923 174.900 0.382 0.000 0.979 257 G CA 0.527 45.783 45.100 0.261 0.000 0.641 257 G HN 0.844 nan 8.290 nan 0.000 0.530 258 F N -0.495 119.513 119.950 0.098 0.000 2.789 258 F HA 0.783 5.310 4.527 -0.000 0.000 0.319 258 F C -0.761 175.100 175.800 0.102 0.000 1.168 258 F CA -1.200 56.854 58.000 0.089 0.000 0.934 258 F CB 0.695 39.737 39.000 0.070 0.000 1.375 258 F HN 0.438 nan 8.300 nan 0.000 0.480 259 N N 0.848 119.579 118.700 0.051 0.000 3.179 259 N HA 0.705 5.445 4.740 -0.000 0.000 0.250 259 N C -1.869 173.682 175.510 0.069 0.000 1.507 259 N CA -0.625 52.393 53.050 -0.053 0.000 0.883 259 N CB 1.788 40.308 38.487 0.054 0.000 1.435 259 N HN 1.106 nan 8.380 nan 0.000 0.532 260 A N -0.128 122.715 122.820 0.039 0.000 2.373 260 A HA 0.839 5.159 4.320 -0.000 0.000 0.291 260 A C 0.035 177.690 177.584 0.118 0.000 1.171 260 A CA -0.193 51.918 52.037 0.123 0.000 0.922 260 A CB 0.673 19.711 19.000 0.063 0.000 1.400 260 A HN 0.859 nan 8.150 nan 0.000 0.474 261 T N -3.317 111.315 114.554 0.130 0.000 2.938 261 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 261 T C 0.844 175.615 174.700 0.118 0.000 1.028 261 T CA -0.078 62.088 62.100 0.109 0.000 1.005 261 T CB 0.941 69.870 68.868 0.101 0.000 1.157 261 T HN 0.473 nan 8.240 nan 0.000 0.550 262 M N 0.254 119.930 119.600 0.126 0.000 2.213 262 M HA 0.045 4.524 4.480 -0.000 0.000 0.263 262 M C 2.096 178.545 176.300 0.248 0.000 1.062 262 M CA 1.660 57.067 55.300 0.179 0.000 1.105 262 M CB -0.746 31.944 32.600 0.151 0.000 1.385 262 M HN 0.879 nan 8.290 nan 0.000 0.417 263 E N -1.262 119.040 120.200 0.170 0.000 2.051 263 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 263 E C 1.940 178.644 176.600 0.174 0.000 0.979 263 E CA 1.034 57.535 56.400 0.168 0.000 0.803 263 E CB -0.438 29.313 29.700 0.084 0.000 0.761 263 E HN 0.594 nan 8.360 nan 0.000 0.451 264 G N 1.352 110.231 108.800 0.132 0.000 2.432 264 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.219 264 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.219 264 G C 1.511 176.510 174.900 0.166 0.000 1.135 264 G CA 0.600 45.774 45.100 0.125 0.000 0.767 264 G HN 0.306 nan 8.290 nan 0.000 0.550 265 I N 0.661 121.283 120.570 0.086 0.000 2.454 265 I HA -0.110 4.060 4.170 -0.000 0.000 0.254 265 I C 2.260 178.200 176.117 -0.294 0.000 1.156 265 I CA 1.072 62.316 61.300 -0.093 0.000 1.433 265 I CB -0.335 37.441 38.000 -0.374 0.000 1.082 265 I HN 0.286 nan 8.210 nan 0.000 0.432 266 H N -0.555 118.475 119.070 -0.067 0.000 2.502 266 H HA 0.094 4.650 4.556 -0.000 0.000 0.283 266 H C 2.244 177.555 175.328 -0.028 0.000 1.015 266 H CA 0.889 56.875 56.048 -0.104 0.000 1.298 266 H CB -0.014 29.686 29.762 -0.103 0.000 1.411 266 H HN 0.261 nan 8.280 nan 0.000 0.556 267 R N -0.418 120.142 120.500 0.100 0.000 2.062 267 R HA -0.119 4.221 4.340 -0.000 0.000 0.229 267 R C 1.614 178.020 176.300 0.175 0.000 1.128 267 R CA 1.307 57.484 56.100 0.129 0.000 0.960 267 R CB -0.397 29.943 30.300 0.067 0.000 0.855 267 R HN 0.377 nan 8.270 nan 0.000 0.432 268 W N 1.212 122.553 121.300 0.068 0.000 2.321 268 W HA -0.209 4.451 4.660 -0.000 0.000 0.306 268 W C 2.599 179.132 176.519 0.023 0.000 1.217 268 W CA 1.356 58.733 57.345 0.054 0.000 1.257 268 W CB -0.360 29.078 29.460 -0.037 0.000 1.145 268 W HN 0.209 nan 8.180 nan 0.000 0.509 269 A N 0.166 123.069 122.820 0.139 0.000 1.845 269 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 269 A C 1.929 179.512 177.584 -0.003 0.000 1.195 269 A CA 1.795 53.815 52.037 -0.028 0.000 0.616 269 A CB -1.121 17.736 19.000 -0.237 0.000 0.832 269 A HN 0.349 nan 8.150 nan 0.000 0.443 270 I N -2.116 118.441 120.570 -0.022 0.000 2.286 270 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 270 I C 2.262 178.294 176.117 -0.143 0.000 1.115 270 I CA 1.475 62.706 61.300 -0.115 0.000 1.392 270 I CB -0.101 37.791 38.000 -0.180 0.000 1.065 270 I HN 0.610 nan 8.210 nan 0.000 0.418 271 W N -0.110 121.189 121.300 -0.002 0.000 2.418 271 W HA -0.172 4.488 4.660 -0.000 0.000 0.292 271 W C 2.436 178.918 176.519 -0.063 0.000 1.213 271 W CA 0.839 58.158 57.345 -0.043 0.000 1.283 271 W CB -0.293 29.122 29.460 -0.076 0.000 1.119 271 W HN 0.152 nan 8.180 nan 0.000 0.542 272 M N 0.918 120.667 119.600 0.247 0.000 2.108 272 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 272 M C 2.029 178.410 176.300 0.136 0.000 1.066 272 M CA 2.400 57.838 55.300 0.229 0.000 1.107 272 M CB -0.707 32.058 32.600 0.274 0.000 1.356 272 M HN -0.051 nan 8.290 nan 0.000 0.406 273 A N -1.184 121.691 122.820 0.091 0.000 1.874 273 A HA -0.023 4.297 4.320 -0.000 0.000 0.214 273 A C 2.153 179.767 177.584 0.049 0.000 1.189 273 A CA 1.599 53.684 52.037 0.080 0.000 0.615 273 A CB -1.167 17.860 19.000 0.044 0.000 0.830 273 A HN 0.339 nan 8.150 nan 0.000 0.443 274 V N 0.305 120.214 119.914 -0.008 0.000 2.469 274 V HA -0.239 3.881 4.120 -0.000 0.000 0.251 274 V C 2.493 178.588 176.094 0.002 0.000 1.064 274 V CA 1.831 64.116 62.300 -0.025 0.000 1.066 274 V CB -0.654 31.060 31.823 -0.182 0.000 0.667 274 V HN 0.556 nan 8.190 nan 0.000 0.461 275 L N -0.851 120.322 121.223 -0.083 0.000 2.275 275 L HA -0.128 4.212 4.340 -0.000 0.000 0.215 275 L C 2.359 179.169 176.870 -0.100 0.000 1.119 275 L CA 0.681 55.357 54.840 -0.274 0.000 0.790 275 L CB -0.494 40.952 42.059 -1.022 0.000 0.919 275 L HN 0.215 nan 8.230 nan 0.000 0.443 276 V N -0.017 119.932 119.914 0.058 0.000 2.231 276 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 276 V C 2.552 178.766 176.094 0.202 0.000 1.054 276 V CA 2.643 65.068 62.300 0.208 0.000 1.015 276 V CB -1.060 30.880 31.823 0.195 0.000 0.638 276 V HN 0.664 nan 8.190 nan 0.000 0.444 277 T N -2.397 112.267 114.554 0.182 0.000 3.081 277 T HA 0.044 4.394 4.350 -0.000 0.000 0.255 277 T C 1.697 176.591 174.700 0.323 0.000 1.113 277 T CA 0.566 62.795 62.100 0.216 0.000 1.082 277 T CB 0.021 69.007 68.868 0.198 0.000 0.939 277 T HN 0.201 nan 8.240 nan 0.000 0.506 278 L N 2.814 124.200 121.223 0.273 0.000 2.023 278 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 278 L C 2.881 179.957 176.870 0.343 0.000 1.073 278 L CA 2.312 57.333 54.840 0.301 0.000 0.745 278 L CB -1.140 40.996 42.059 0.128 0.000 0.900 278 L HN 0.502 nan 8.230 nan 0.000 0.435 279 T N -3.723 111.012 114.554 0.302 0.000 2.777 279 T HA -0.076 4.274 4.350 -0.000 0.000 0.266 279 T C 1.973 176.868 174.700 0.325 0.000 1.040 279 T CA 0.884 63.225 62.100 0.403 0.000 1.141 279 T CB -1.426 67.757 68.868 0.524 0.000 0.868 279 T HN 0.355 nan 8.240 nan 0.000 0.444 280 G N 1.484 110.448 108.800 0.272 0.000 2.446 280 G HA2 0.019 3.979 3.960 -0.000 0.000 0.217 280 G HA3 0.019 3.979 3.960 -0.000 0.000 0.217 280 G C 1.760 176.711 174.900 0.086 0.000 1.168 280 G CA 0.734 45.944 45.100 0.185 0.000 0.771 280 G HN 0.667 nan 8.290 nan 0.000 0.551 281 G N 0.917 109.774 108.800 0.095 0.000 2.442 281 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 281 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 281 G C 1.778 176.614 174.900 -0.107 0.000 1.141 281 G CA 0.898 45.846 45.100 -0.254 0.000 0.763 281 G HN 0.465 nan 8.290 nan 0.000 0.554 282 I N 1.126 121.796 120.570 0.166 0.000 2.202 282 I HA -0.038 4.132 4.170 -0.000 0.000 0.242 282 I C 3.115 179.103 176.117 -0.216 0.000 1.091 282 I CA 0.983 62.240 61.300 -0.072 0.000 1.368 282 I CB -0.544 37.167 38.000 -0.481 0.000 1.058 282 I HN 0.221 nan 8.210 nan 0.000 0.410 283 G N 1.481 110.194 108.800 -0.145 0.000 2.440 283 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 283 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 283 G C 1.589 176.511 174.900 0.036 0.000 1.154 283 G CA 0.628 45.718 45.100 -0.017 0.000 0.767 283 G HN 0.193 nan 8.290 nan 0.000 0.552 284 I N 0.283 120.847 120.570 -0.011 0.000 2.286 284 I HA -0.005 4.165 4.170 -0.000 0.000 0.245 284 I C 2.591 178.747 176.117 0.065 0.000 1.104 284 I CA 0.537 61.840 61.300 0.004 0.000 1.397 284 I CB -1.080 36.827 38.000 -0.155 0.000 1.072 284 I HN 0.141 nan 8.210 nan 0.000 0.417 285 L N 0.832 122.036 121.223 -0.031 0.000 2.083 285 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 285 L C 2.245 179.147 176.870 0.053 0.000 1.083 285 L CA 1.717 56.546 54.840 -0.019 0.000 0.752 285 L CB -0.545 41.475 42.059 -0.065 0.000 0.899 285 L HN 0.123 nan 8.230 nan 0.000 0.433 286 L N -1.240 120.041 121.223 0.096 0.000 2.313 286 L HA -0.001 4.339 4.340 -0.000 0.000 0.214 286 L C 0.901 177.839 176.870 0.112 0.000 1.119 286 L CA -0.033 54.879 54.840 0.121 0.000 0.809 286 L CB -0.397 41.794 42.059 0.221 0.000 0.933 286 L HN 0.054 nan 8.230 nan 0.000 0.449 287 S N 0.223 116.044 115.700 0.201 0.000 2.455 287 S HA 0.371 4.840 4.470 -0.000 0.000 0.278 287 S C 1.139 175.727 174.600 -0.021 0.000 1.216 287 S CA 0.388 58.634 58.200 0.076 0.000 1.055 287 S CB 0.965 64.150 63.200 -0.025 0.000 0.939 287 S HN 0.553 nan 8.310 nan 0.000 0.494 288 G N 3.132 111.952 108.800 0.032 0.000 2.320 288 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.242 288 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.242 288 G C 1.077 175.976 174.900 -0.001 0.000 1.033 288 G CA 0.960 46.111 45.100 0.085 0.000 0.620 288 G HN 0.825 nan 8.290 nan 0.000 0.517 289 T N -2.270 112.279 114.554 -0.009 0.000 2.953 289 T HA 0.380 4.730 4.350 -0.000 0.000 0.247 289 T C 2.125 176.798 174.700 -0.044 0.000 1.029 289 T CA 2.046 64.133 62.100 -0.021 0.000 1.144 289 T CB 0.071 68.937 68.868 -0.003 0.000 0.870 289 T HN 0.609 nan 8.240 nan 0.000 0.446 290 V N 0.372 120.245 119.914 -0.069 0.000 3.151 290 V HA 0.361 4.481 4.120 -0.000 0.000 0.241 290 V C 0.408 176.389 176.094 -0.188 0.000 1.173 290 V CA 0.006 62.251 62.300 -0.092 0.000 1.154 290 V CB 0.957 32.744 31.823 -0.060 0.000 0.898 290 V HN 0.337 nan 8.190 nan 0.000 0.473 291 V N 1.046 120.756 119.914 -0.339 0.000 2.407 291 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 291 V C 0.226 176.059 176.094 -0.434 0.000 1.018 291 V CA -0.390 61.558 62.300 -0.587 0.000 0.842 291 V CB 1.531 32.468 31.823 -1.477 0.000 0.996 291 V HN 0.245 nan 8.190 nan 0.000 0.426 292 D N 2.317 122.550 120.400 -0.278 0.000 2.249 292 D HA 0.026 4.666 4.640 -0.000 0.000 0.205 292 D C 0.703 176.900 176.300 -0.173 0.000 0.962 292 D CA 1.148 55.043 54.000 -0.176 0.000 0.860 292 D CB 0.276 40.991 40.800 -0.142 0.000 0.955 292 D HN 0.501 nan 8.370 nan 0.000 0.505 293 N N -0.531 118.036 118.700 -0.222 0.000 2.629 293 N HA 0.002 4.742 4.740 -0.000 0.000 0.277 293 N C -0.255 175.232 175.510 -0.038 0.000 1.188 293 N CA -0.401 52.607 53.050 -0.070 0.000 0.835 293 N CB 0.181 38.663 38.487 -0.009 0.000 1.420 293 N HN -0.113 nan 8.380 nan 0.000 0.542 294 W N 1.791 123.204 121.300 0.190 0.000 2.374 294 W HA -0.129 4.531 4.660 -0.000 0.000 0.288 294 W C 1.814 178.508 176.519 0.291 0.000 1.218 294 W CA 0.649 58.155 57.345 0.269 0.000 1.245 294 W CB -0.321 29.312 29.460 0.290 0.000 1.126 294 W HN 0.664 nan 8.180 nan 0.000 0.545 295 Y N 0.670 121.076 120.300 0.176 0.000 2.128 295 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 295 Y C 2.197 178.027 175.900 -0.117 0.000 1.154 295 Y CA 2.053 59.944 58.100 -0.349 0.000 1.149 295 Y CB -0.865 37.347 38.460 -0.412 0.000 0.976 295 Y HN -0.207 nan 8.280 nan 0.000 0.505 296 V N -0.743 119.117 119.914 -0.091 0.000 2.427 296 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 296 V C 2.084 178.119 176.094 -0.097 0.000 1.051 296 V CA 1.864 64.065 62.300 -0.165 0.000 1.048 296 V CB -1.029 30.778 31.823 -0.026 0.000 0.666 296 V HN 0.715 nan 8.190 nan 0.000 0.456 297 W N 1.448 122.655 121.300 -0.156 0.000 2.379 297 W HA -0.054 4.606 4.660 -0.000 0.000 0.307 297 W C 2.327 178.809 176.519 -0.063 0.000 1.200 297 W CA 1.782 59.054 57.345 -0.122 0.000 1.297 297 W CB -0.699 28.660 29.460 -0.169 0.000 1.140 297 W HN 0.231 nan 8.180 nan 0.000 0.507 298 G N 0.088 109.019 108.800 0.218 0.000 2.450 298 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 298 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 298 G C 1.411 176.200 174.900 -0.185 0.000 1.130 298 G CA 1.087 46.209 45.100 0.036 0.000 0.760 298 G HN 0.290 nan 8.290 nan 0.000 0.557 299 Q N 0.509 120.130 119.800 -0.299 0.000 2.170 299 Q HA -0.063 4.277 4.340 -0.000 0.000 0.203 299 Q C 1.910 177.776 176.000 -0.224 0.000 0.976 299 Q CA 1.209 56.835 55.803 -0.295 0.000 0.858 299 Q CB -0.302 28.200 28.738 -0.393 0.000 0.907 299 Q HN 0.520 nan 8.270 nan 0.000 0.433 300 N N -0.457 118.080 118.700 -0.271 0.000 2.336 300 N HA -0.041 4.699 4.740 -0.000 0.000 0.189 300 N C -0.138 175.194 175.510 -0.297 0.000 1.113 300 N CA 0.106 53.006 53.050 -0.250 0.000 0.858 300 N CB -0.286 38.053 38.487 -0.246 0.000 0.970 300 N HN 0.305 nan 8.380 nan 0.000 0.471 301 H N 0.432 119.177 119.070 -0.542 0.000 2.315 301 H HA -0.203 4.353 4.556 -0.000 0.000 0.326 301 H C 0.146 174.815 175.328 -1.099 0.000 0.994 301 H CA 0.755 56.262 56.048 -0.901 0.000 1.105 301 H CB -1.320 28.140 29.762 -0.503 0.000 1.537 301 H HN 0.357 nan 8.280 nan 0.000 0.384 302 G N -1.085 106.940 108.800 -1.292 0.000 2.329 302 G HA2 0.540 4.500 3.960 -0.000 0.000 0.234 302 G HA3 0.540 4.500 3.960 -0.000 0.000 0.234 302 G C -0.392 174.361 174.900 -0.245 0.000 2.693 302 G CA -0.183 44.512 45.100 -0.675 0.000 1.036 302 G HN 1.166 nan 8.290 nan 0.000 0.602 303 M N 0.000 119.503 119.600 -0.162 0.000 2.572 303 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411