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 1z9k_1_B 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 0.000 177.620 177.584 0.060 0.000 1.274 1 A CA 0.000 52.065 52.037 0.047 0.000 0.836 1 A CB 0.000 19.029 19.000 0.049 0.000 0.831 2 E N -2.194 118.052 120.200 0.078 0.000 2.623 2 E HA 0.554 4.903 4.350 -0.001 0.000 0.146 2 E C -1.378 175.335 176.600 0.188 0.000 0.887 2 E CA -0.493 55.974 56.400 0.111 0.000 0.843 2 E CB 0.687 30.445 29.700 0.097 0.000 2.109 2 E HN 0.882 nan 8.360 nan 0.000 0.407 3 Y N 1.845 122.161 120.300 0.027 0.000 2.575 3 Y HA 0.324 4.874 4.550 -0.001 0.000 0.326 3 Y C -1.168 174.743 175.900 0.019 0.000 0.979 3 Y CA -1.174 56.947 58.100 0.036 0.000 1.286 3 Y CB 0.984 39.463 38.460 0.031 0.000 1.093 3 Y HN 0.249 nan 8.280 nan 0.000 0.501 4 Q N 4.607 124.359 119.800 -0.079 0.000 2.406 4 Q HA 0.092 4.432 4.340 -0.001 0.000 0.242 4 Q C -0.130 175.632 176.000 -0.397 0.000 1.036 4 Q CA -0.197 55.487 55.803 -0.197 0.000 0.904 4 Q CB 0.244 28.933 28.738 -0.082 0.000 1.244 4 Q HN 0.782 nan 8.270 nan 0.000 0.478 5 N N 3.821 122.130 118.700 -0.652 0.000 2.453 5 N HA -0.104 4.635 4.740 -0.001 0.000 0.302 5 N C 0.337 175.638 175.510 -0.349 0.000 1.241 5 N CA 0.120 52.741 53.050 -0.714 0.000 1.129 5 N CB 0.164 38.326 38.487 -0.543 0.000 1.482 5 N HN 0.416 nan 8.380 nan 0.000 0.494 6 I N 0.764 121.187 120.570 -0.245 0.000 4.433 6 I HA 0.187 4.356 4.170 -0.001 0.000 0.322 6 I C -0.494 175.488 176.117 -0.225 0.000 1.284 6 I CA 0.251 61.384 61.300 -0.278 0.000 1.269 6 I CB -0.521 37.265 38.000 -0.356 0.000 1.219 6 I HN 0.148 nan 8.210 nan 0.000 0.436 7 F N 1.860 121.977 119.950 0.279 0.000 2.577 7 F HA 0.399 4.926 4.527 -0.001 0.000 0.344 7 F C 0.645 176.711 175.800 0.444 0.000 1.145 7 F CA -1.107 57.151 58.000 0.430 0.000 0.996 7 F CB 1.445 40.718 39.000 0.454 0.000 1.248 7 F HN -0.289 nan 8.300 nan 0.000 0.447 8 S N 3.535 119.549 115.700 0.523 0.000 2.589 8 S HA -0.056 4.413 4.470 -0.001 0.000 0.306 8 S C 1.369 176.087 174.600 0.197 0.000 1.221 8 S CA -0.071 58.331 58.200 0.338 0.000 1.159 8 S CB 0.192 63.487 63.200 0.158 0.000 0.990 8 S HN 0.670 nan 8.310 nan 0.000 0.514 9 Q N 1.343 121.242 119.800 0.164 0.000 2.344 9 Q HA -0.150 4.190 4.340 -0.001 0.000 0.212 9 Q C 0.198 176.123 176.000 -0.126 0.000 0.991 9 Q CA 0.854 56.666 55.803 0.014 0.000 0.897 9 Q CB -0.201 28.449 28.738 -0.147 0.000 0.915 9 Q HN 0.506 nan 8.270 nan 0.000 0.438 10 V N -0.439 119.381 119.914 -0.156 0.000 3.049 10 V HA 0.278 4.397 4.120 -0.001 0.000 0.309 10 V C -0.729 175.217 176.094 -0.246 0.000 1.148 10 V CA -1.013 61.151 62.300 -0.226 0.000 0.990 10 V CB 2.268 34.006 31.823 -0.142 0.000 1.039 10 V HN 0.007 nan 8.190 nan 0.000 0.430 11 Q N 0.728 120.358 119.800 -0.284 0.000 2.416 11 Q HA 0.920 5.260 4.340 -0.001 0.000 0.279 11 Q C -1.488 174.425 176.000 -0.146 0.000 1.101 11 Q CA -0.677 54.989 55.803 -0.229 0.000 0.830 11 Q CB 2.835 31.388 28.738 -0.308 0.000 1.402 11 Q HN 0.580 nan 8.270 nan 0.000 0.445 12 V N -0.212 119.641 119.914 -0.102 0.000 3.130 12 V HA 0.684 4.804 4.120 -0.001 0.000 0.308 12 V C -1.084 174.967 176.094 -0.071 0.000 1.413 12 V CA -0.979 61.271 62.300 -0.082 0.000 1.053 12 V CB 2.563 34.348 31.823 -0.063 0.000 1.075 12 V HN 0.814 nan 8.190 nan 0.000 0.465 13 R N -1.422 119.033 120.500 -0.074 0.000 2.765 13 R HA 0.625 4.965 4.340 -0.001 0.000 0.277 13 R C -0.784 175.470 176.300 -0.077 0.000 1.028 13 R CA 0.248 56.301 56.100 -0.079 0.000 0.860 13 R CB 1.693 31.895 30.300 -0.163 0.000 1.270 13 R HN 1.216 nan 8.270 nan 0.000 0.484 14 G N 1.138 109.904 108.800 -0.056 0.000 2.976 14 G HA2 0.533 4.493 3.960 -0.001 0.000 0.276 14 G HA3 0.533 4.493 3.960 -0.001 0.000 0.276 14 G C -2.422 172.468 174.900 -0.017 0.000 1.207 14 G CA -0.680 44.396 45.100 -0.040 0.000 0.803 14 G HN 0.456 nan 8.290 nan 0.000 0.572 15 P HA 0.487 nan 4.420 nan 0.000 0.262 15 P C -0.378 177.004 177.300 0.136 0.000 1.339 15 P CA 0.859 63.998 63.100 0.064 0.000 0.706 15 P CB 0.217 31.943 31.700 0.043 0.000 1.424 16 A N -0.287 122.599 122.820 0.111 0.000 2.547 16 A HA 0.208 4.528 4.320 -0.001 0.000 0.279 16 A C -0.634 176.981 177.584 0.052 0.000 1.088 16 A CA -0.369 51.733 52.037 0.109 0.000 0.796 16 A CB 0.174 19.243 19.000 0.114 0.000 1.308 16 A HN 0.354 nan 8.150 nan 0.000 0.415 17 D N 4.018 124.441 120.400 0.039 0.000 2.709 17 D HA -0.072 4.567 4.640 -0.001 0.000 0.231 17 D C 1.324 177.627 176.300 0.006 0.000 1.107 17 D CA -0.051 53.959 54.000 0.017 0.000 1.329 17 D CB 0.036 40.843 40.800 0.011 0.000 1.138 17 D HN 0.569 nan 8.370 nan 0.000 0.475 18 L N 1.469 122.696 121.223 0.006 0.000 2.328 18 L HA -0.283 4.056 4.340 -0.001 0.000 0.219 18 L C 1.513 178.374 176.870 -0.015 0.000 1.088 18 L CA 2.277 57.115 54.840 -0.004 0.000 0.795 18 L CB -1.434 40.623 42.059 -0.003 0.000 0.888 18 L HN 0.706 nan 8.230 nan 0.000 0.443 19 G N -3.473 105.316 108.800 -0.019 0.000 2.409 19 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.421 19 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.421 19 G C -0.212 174.666 174.900 -0.037 0.000 1.259 19 G CA -0.115 44.966 45.100 -0.031 0.000 1.011 19 G HN -0.019 nan 8.290 nan 0.000 0.497 20 M N -1.138 118.432 119.600 -0.051 0.000 2.066 20 M HA 0.681 5.161 4.480 -0.001 0.000 0.203 20 M C 1.539 177.804 176.300 -0.059 0.000 1.145 20 M CA 0.775 56.042 55.300 -0.055 0.000 1.084 20 M CB -0.315 32.244 32.600 -0.068 0.000 1.177 20 M HN 0.786 nan 8.290 nan 0.000 0.588 21 T N -2.418 112.097 114.554 -0.065 0.000 3.545 21 T HA 0.132 4.481 4.350 -0.001 0.000 0.274 21 T C 0.279 174.929 174.700 -0.082 0.000 0.989 21 T CA -0.010 62.050 62.100 -0.066 0.000 1.129 21 T CB 0.599 69.437 68.868 -0.050 0.000 1.165 21 T HN 0.476 nan 8.240 nan 0.000 0.436 22 E N 1.333 121.486 120.200 -0.078 0.000 3.289 22 E HA -0.227 4.123 4.350 -0.001 0.000 0.386 22 E C -0.028 176.521 176.600 -0.085 0.000 1.526 22 E CA 1.827 58.174 56.400 -0.087 0.000 1.519 22 E CB -1.353 28.281 29.700 -0.110 0.000 1.657 22 E HN 0.457 nan 8.360 nan 0.000 0.479 23 D N 0.761 121.100 120.400 -0.102 0.000 2.398 23 D HA 0.171 4.811 4.640 -0.001 0.000 0.210 23 D C 0.211 176.447 176.300 -0.106 0.000 1.094 23 D CA 0.116 54.059 54.000 -0.094 0.000 0.839 23 D CB 0.548 41.289 40.800 -0.098 0.000 0.963 23 D HN -0.031 nan 8.370 nan 0.000 0.506 24 V N 1.850 121.685 119.914 -0.132 0.000 3.083 24 V HA -0.166 3.954 4.120 -0.001 0.000 0.303 24 V C 0.785 176.826 176.094 -0.088 0.000 1.151 24 V CA 0.313 62.514 62.300 -0.165 0.000 1.275 24 V CB 0.218 31.933 31.823 -0.180 0.000 0.950 24 V HN 0.103 nan 8.190 nan 0.000 0.506 25 N N 3.101 121.770 118.700 -0.051 0.000 2.462 25 N HA 0.311 5.050 4.740 -0.001 0.000 0.242 25 N C 0.416 176.003 175.510 0.129 0.000 1.010 25 N CA -0.253 52.834 53.050 0.062 0.000 0.939 25 N CB 0.633 39.200 38.487 0.133 0.000 1.127 25 N HN 0.623 nan 8.380 nan 0.000 0.509 26 L N 1.854 123.112 121.223 0.059 0.000 2.509 26 L HA 0.180 4.520 4.340 -0.001 0.000 0.222 26 L C 1.728 178.622 176.870 0.041 0.000 1.123 26 L CA 0.213 55.087 54.840 0.056 0.000 0.856 26 L CB -0.235 41.835 42.059 0.018 0.000 0.985 26 L HN 0.558 nan 8.230 nan 0.000 0.456 27 A N 0.021 122.860 122.820 0.031 0.000 2.259 27 A HA -0.104 4.216 4.320 -0.001 0.000 0.212 27 A C 1.476 179.057 177.584 -0.006 0.000 1.178 27 A CA 1.055 53.096 52.037 0.008 0.000 0.734 27 A CB -0.361 18.640 19.000 0.003 0.000 0.774 27 A HN 0.424 nan 8.150 nan 0.000 0.481 28 N N -0.825 117.883 118.700 0.013 0.000 2.159 28 N HA 0.099 4.838 4.740 -0.001 0.000 0.217 28 N C -0.147 175.341 175.510 -0.036 0.000 1.223 28 N CA -0.011 53.001 53.050 -0.063 0.000 0.896 28 N CB 0.555 38.930 38.487 -0.186 0.000 1.064 28 N HN 0.404 nan 8.380 nan 0.000 0.518 29 R N 0.851 121.378 120.500 0.044 0.000 2.404 29 R HA 0.320 4.660 4.340 -0.001 0.000 0.291 29 R C 0.732 177.033 176.300 0.003 0.000 1.025 29 R CA -0.086 56.044 56.100 0.050 0.000 0.991 29 R CB 1.412 31.748 30.300 0.059 0.000 1.053 29 R HN 0.101 nan 8.270 nan 0.000 0.479 30 S N 0.735 116.430 115.700 -0.008 0.000 2.623 30 S HA 0.509 4.978 4.470 -0.001 0.000 0.287 30 S C 0.469 175.060 174.600 -0.014 0.000 1.123 30 S CA -0.689 57.501 58.200 -0.017 0.000 1.016 30 S CB 0.934 64.118 63.200 -0.026 0.000 1.233 30 S HN 0.614 nan 8.310 nan 0.000 0.512 31 G N 0.132 108.922 108.800 -0.017 0.000 2.467 31 G HA2 0.477 4.437 3.960 -0.001 0.000 0.257 31 G HA3 0.477 4.437 3.960 -0.001 0.000 0.257 31 G C 0.115 174.997 174.900 -0.029 0.000 1.227 31 G CA -0.566 44.524 45.100 -0.016 0.000 0.835 31 G HN 0.713 nan 8.290 nan 0.000 0.556 32 V N 1.106 120.999 119.914 -0.035 0.000 4.012 32 V HA 0.496 4.616 4.120 -0.001 0.000 0.284 32 V C 1.471 177.502 176.094 -0.105 0.000 1.020 32 V CA 0.586 62.841 62.300 -0.075 0.000 1.039 32 V CB 0.090 31.866 31.823 -0.079 0.000 1.203 32 V HN 1.022 nan 8.190 nan 0.000 0.456 33 G N -1.146 107.536 108.800 -0.197 0.000 2.818 33 G HA2 0.692 4.652 3.960 -0.001 0.000 0.286 33 G HA3 0.692 4.652 3.960 -0.001 0.000 0.286 33 G C -2.671 172.022 174.900 -0.346 0.000 1.364 33 G CA -0.955 44.025 45.100 -0.200 0.000 0.938 33 G HN 0.584 nan 8.290 nan 0.000 0.490 34 P HA 0.306 nan 4.420 nan 0.000 0.321 34 P C -1.046 175.980 177.300 -0.456 0.000 1.338 34 P CA -0.001 63.011 63.100 -0.145 0.000 0.764 34 P CB 0.490 32.205 31.700 0.024 0.000 1.641 35 F N -1.716 118.248 119.950 0.023 0.000 2.931 35 F HA 0.204 4.731 4.527 -0.001 0.000 0.375 35 F C 0.560 176.384 175.800 0.039 0.000 1.243 35 F CA -0.654 57.362 58.000 0.028 0.000 1.206 35 F CB 0.358 39.370 39.000 0.020 0.000 1.643 35 F HN -0.015 nan 8.300 nan 0.000 0.593 36 S N 1.038 116.829 115.700 0.151 0.000 2.714 36 S HA -0.021 4.449 4.470 -0.001 0.000 0.318 36 S C 1.182 175.887 174.600 0.175 0.000 1.219 36 S CA 0.154 58.435 58.200 0.135 0.000 1.175 36 S CB 0.026 63.282 63.200 0.093 0.000 0.961 36 S HN 0.570 nan 8.310 nan 0.000 0.518 37 T N 6.649 121.309 114.554 0.176 0.000 3.584 37 T HA 0.062 4.412 4.350 -0.001 0.000 0.252 37 T C 0.812 175.708 174.700 0.327 0.000 1.103 37 T CA 0.105 62.320 62.100 0.191 0.000 0.977 37 T CB -0.291 68.666 68.868 0.147 0.000 1.044 37 T HN 0.555 nan 8.240 nan 0.000 0.589 38 L N -0.545 120.860 121.223 0.304 0.000 2.688 38 L HA 0.479 4.819 4.340 -0.001 0.000 0.216 38 L C 1.407 178.491 176.870 0.356 0.000 1.036 38 L CA 0.897 55.957 54.840 0.367 0.000 0.906 38 L CB -0.352 41.761 42.059 0.090 0.000 1.501 38 L HN 0.132 nan 8.230 nan 0.000 0.489 39 L N 0.681 122.031 121.223 0.211 0.000 2.651 39 L HA -0.055 4.285 4.340 -0.001 0.000 0.236 39 L C 2.035 179.056 176.870 0.253 0.000 1.173 39 L CA 0.992 55.944 54.840 0.186 0.000 0.843 39 L CB -0.889 41.251 42.059 0.134 0.000 0.964 39 L HN 0.507 nan 8.230 nan 0.000 0.454 40 G N -1.149 107.829 108.800 0.296 0.000 2.441 40 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.212 40 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.212 40 G C 0.808 175.866 174.900 0.263 0.000 1.164 40 G CA -0.098 45.128 45.100 0.210 0.000 0.811 40 G HN 0.376 nan 8.290 nan 0.000 0.535 41 W N -0.009 121.394 121.300 0.172 0.000 2.401 41 W HA 0.106 4.765 4.660 -0.001 0.000 0.264 41 W C 1.328 178.163 176.519 0.527 0.000 1.209 41 W CA -0.208 57.322 57.345 0.310 0.000 1.170 41 W CB -0.433 29.193 29.460 0.276 0.000 1.134 41 W HN 0.024 nan 8.180 nan 0.000 0.587 42 F N -1.160 119.005 119.950 0.359 0.000 2.186 42 F HA 0.560 5.087 4.527 -0.001 0.000 0.195 42 F C 2.062 177.936 175.800 0.124 0.000 1.284 42 F CA -0.576 57.540 58.000 0.193 0.000 1.259 42 F CB -1.072 38.023 39.000 0.158 0.000 1.795 42 F HN -0.315 nan 8.300 nan 0.000 0.270 43 G N 0.562 109.564 108.800 0.338 0.000 2.481 43 G HA2 0.086 4.045 3.960 -0.001 0.000 0.251 43 G HA3 0.086 4.045 3.960 -0.001 0.000 0.251 43 G C -0.113 174.881 174.900 0.158 0.000 1.492 43 G CA -0.454 44.752 45.100 0.176 0.000 1.060 43 G HN 0.325 nan 8.290 nan 0.000 0.553 44 N N -0.436 118.331 118.700 0.112 0.000 2.371 44 N HA 0.270 5.010 4.740 -0.001 0.000 0.243 44 N C 0.914 176.496 175.510 0.121 0.000 1.287 44 N CA 0.409 53.519 53.050 0.099 0.000 0.911 44 N CB 1.198 39.728 38.487 0.072 0.000 1.142 44 N HN 0.481 nan 8.380 nan 0.000 0.451 45 A N -0.109 122.789 122.820 0.130 0.000 2.197 45 A HA -0.002 4.318 4.320 -0.001 0.000 0.210 45 A C 0.947 178.624 177.584 0.155 0.000 1.180 45 A CA 0.057 52.191 52.037 0.161 0.000 0.846 45 A CB -0.094 19.014 19.000 0.180 0.000 0.884 45 A HN 0.718 nan 8.150 nan 0.000 0.487 46 Q N -0.025 119.849 119.800 0.123 0.000 2.524 46 Q HA 0.454 4.793 4.340 -0.001 0.000 0.246 46 Q C -1.405 174.531 176.000 -0.107 0.000 1.063 46 Q CA 0.355 56.150 55.803 -0.012 0.000 0.945 46 Q CB 0.360 29.116 28.738 0.031 0.000 1.292 46 Q HN 0.475 nan 8.270 nan 0.000 0.518 47 L N 1.418 122.497 121.223 -0.241 0.000 2.526 47 L HA 0.660 4.999 4.340 -0.001 0.000 0.263 47 L C -0.179 176.588 176.870 -0.173 0.000 0.943 47 L CA -0.439 54.298 54.840 -0.171 0.000 0.859 47 L CB 1.896 43.849 42.059 -0.177 0.000 1.313 47 L HN 0.933 nan 8.230 nan 0.000 0.406 48 G N 2.620 111.362 108.800 -0.097 0.000 2.712 48 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.683 48 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.683 48 G C -2.856 172.009 174.900 -0.058 0.000 1.320 48 G CA -0.202 44.853 45.100 -0.075 0.000 0.847 48 G HN 0.517 nan 8.290 nan 0.000 0.553 49 P HA 0.648 nan 4.420 nan 0.000 0.236 49 P C 0.440 177.734 177.300 -0.010 0.000 1.160 49 P CA 0.491 63.575 63.100 -0.027 0.000 0.688 49 P CB 0.910 32.600 31.700 -0.016 0.000 1.193 50 I N -3.664 116.913 120.570 0.010 0.000 2.161 50 I HA 0.127 4.297 4.170 -0.001 0.000 0.317 50 I C -1.948 174.216 176.117 0.079 0.000 2.543 50 I CA -0.651 60.670 61.300 0.035 0.000 0.934 50 I CB 0.863 38.877 38.000 0.024 0.000 1.871 50 I HN 0.123 nan 8.210 nan 0.000 0.688 51 Y N 5.518 125.781 120.300 -0.063 0.000 2.385 51 Y HA 0.550 5.099 4.550 -0.001 0.000 0.341 51 Y C -0.536 175.328 175.900 -0.060 0.000 0.965 51 Y CA -0.574 57.484 58.100 -0.070 0.000 1.180 51 Y CB 0.685 39.087 38.460 -0.098 0.000 1.139 51 Y HN 0.296 nan 8.280 nan 0.000 0.502 52 L N 7.699 128.677 121.223 -0.408 0.000 2.358 52 L HA 0.449 4.788 4.340 -0.001 0.000 0.274 52 L C 0.801 177.306 176.870 -0.609 0.000 1.136 52 L CA -0.296 54.332 54.840 -0.355 0.000 0.970 52 L CB -0.251 41.679 42.059 -0.214 0.000 1.314 52 L HN 0.819 nan 8.230 nan 0.000 0.427 53 G N 0.292 108.714 108.800 -0.630 0.000 2.705 53 G HA2 0.306 4.265 3.960 -0.001 0.000 0.299 53 G HA3 0.306 4.265 3.960 -0.001 0.000 0.299 53 G C 0.671 175.446 174.900 -0.208 0.000 1.315 53 G CA -0.339 44.425 45.100 -0.559 0.000 1.045 53 G HN 0.379 nan 8.290 nan 0.000 0.517 54 S N -0.796 114.837 115.700 -0.112 0.000 2.387 54 S HA -0.158 4.312 4.470 -0.001 0.000 0.230 54 S C 2.167 176.752 174.600 -0.025 0.000 1.035 54 S CA 1.229 59.399 58.200 -0.050 0.000 1.014 54 S CB -0.249 62.947 63.200 -0.007 0.000 0.836 54 S HN 0.290 nan 8.310 nan 0.000 0.466 55 L N 1.217 122.436 121.223 -0.007 0.000 2.249 55 L HA 0.280 4.619 4.340 -0.001 0.000 0.207 55 L C 2.287 179.160 176.870 0.004 0.000 1.090 55 L CA 1.013 55.862 54.840 0.016 0.000 0.802 55 L CB -1.332 40.739 42.059 0.020 0.000 0.947 55 L HN 0.302 nan 8.230 nan 0.000 0.453 56 G N -0.423 108.349 108.800 -0.046 0.000 2.529 56 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.219 56 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.219 56 G C 1.441 176.353 174.900 0.020 0.000 1.177 56 G CA 1.511 46.586 45.100 -0.042 0.000 0.773 56 G HN 0.257 nan 8.290 nan 0.000 0.573 57 V N 0.989 120.896 119.914 -0.012 0.000 2.262 57 V HA -0.190 3.929 4.120 -0.001 0.000 0.232 57 V C 2.553 178.714 176.094 0.113 0.000 1.009 57 V CA 1.789 64.101 62.300 0.020 0.000 0.995 57 V CB -1.054 30.733 31.823 -0.059 0.000 0.646 57 V HN 0.338 nan 8.190 nan 0.000 0.472 58 L N 0.272 121.547 121.223 0.087 0.000 2.143 58 L HA -0.342 3.998 4.340 -0.001 0.000 0.231 58 L C 2.628 179.636 176.870 0.230 0.000 1.106 58 L CA 2.724 57.669 54.840 0.176 0.000 0.827 58 L CB -0.948 41.182 42.059 0.119 0.000 0.915 58 L HN 0.587 nan 8.230 nan 0.000 0.448 59 S N -1.502 114.307 115.700 0.182 0.000 2.462 59 S HA -0.243 4.227 4.470 -0.001 0.000 0.219 59 S C 1.922 176.626 174.600 0.172 0.000 1.048 59 S CA 1.696 60.023 58.200 0.212 0.000 1.119 59 S CB -0.833 62.554 63.200 0.311 0.000 1.100 59 S HN 0.383 nan 8.310 nan 0.000 0.411 60 L N 0.888 122.223 121.223 0.186 0.000 1.997 60 L HA -0.076 4.264 4.340 -0.001 0.000 0.216 60 L C 2.154 179.053 176.870 0.047 0.000 1.074 60 L CA 2.541 57.435 54.840 0.091 0.000 0.763 60 L CB -1.339 40.781 42.059 0.102 0.000 0.890 60 L HN 0.586 nan 8.230 nan 0.000 0.434 61 F N 0.210 120.146 119.950 -0.024 0.000 2.021 61 F HA -0.365 4.162 4.527 -0.001 0.000 0.297 61 F C 2.568 178.319 175.800 -0.081 0.000 1.152 61 F CA 2.424 60.393 58.000 -0.052 0.000 1.201 61 F CB -1.027 37.958 39.000 -0.024 0.000 0.951 61 F HN 0.101 nan 8.300 nan 0.000 0.504 62 S N 0.203 115.787 115.700 -0.192 0.000 2.493 62 S HA -0.077 4.392 4.470 -0.001 0.000 0.243 62 S C 2.061 176.520 174.600 -0.235 0.000 0.991 62 S CA 0.783 58.801 58.200 -0.303 0.000 0.957 62 S CB -1.079 62.182 63.200 0.102 0.000 0.756 62 S HN 0.702 nan 8.310 nan 0.000 0.521 63 G N 0.758 109.453 108.800 -0.176 0.000 2.484 63 G HA2 0.017 3.977 3.960 -0.001 0.000 0.218 63 G HA3 0.017 3.977 3.960 -0.001 0.000 0.218 63 G C 1.218 176.040 174.900 -0.131 0.000 1.130 63 G CA 0.151 45.150 45.100 -0.169 0.000 0.784 63 G HN 0.426 nan 8.290 nan 0.000 0.543 64 L N -0.137 120.927 121.223 -0.264 0.000 2.145 64 L HA 0.125 4.465 4.340 -0.001 0.000 0.201 64 L C 2.671 179.339 176.870 -0.336 0.000 1.075 64 L CA 0.249 54.895 54.840 -0.323 0.000 0.773 64 L CB -0.203 41.566 42.059 -0.484 0.000 0.936 64 L HN 0.104 nan 8.230 nan 0.000 0.451 65 M N -1.348 117.902 119.600 -0.584 0.000 2.703 65 M HA -0.266 4.214 4.480 -0.001 0.000 0.253 65 M C 1.711 177.749 176.300 -0.436 0.000 1.060 65 M CA 1.520 56.349 55.300 -0.784 0.000 1.059 65 M CB -1.043 30.498 32.600 -1.766 0.000 1.399 65 M HN 0.469 nan 8.290 nan 0.000 0.526 66 W N -0.953 120.153 121.300 -0.324 0.000 2.644 66 W HA -0.042 4.618 4.660 -0.001 0.000 0.279 66 W C 1.539 178.036 176.519 -0.037 0.000 1.164 66 W CA 0.222 57.486 57.345 -0.134 0.000 1.457 66 W CB -0.236 29.129 29.460 -0.158 0.000 1.087 66 W HN 0.023 nan 8.180 nan 0.000 0.573 67 F N 0.123 120.053 119.950 -0.033 0.000 2.804 67 F HA 0.218 4.744 4.527 -0.001 0.000 0.303 67 F C 0.018 175.841 175.800 0.038 0.000 1.154 67 F CA 0.027 57.917 58.000 -0.185 0.000 1.401 67 F CB -0.561 38.452 39.000 0.022 0.000 1.106 67 F HN -0.262 nan 8.300 nan 0.000 0.568 68 F N 0.049 119.890 119.950 -0.182 0.000 2.627 68 F HA 0.311 4.838 4.527 -0.001 0.000 0.329 68 F C 0.739 176.430 175.800 -0.181 0.000 1.378 68 F CA -0.421 57.455 58.000 -0.207 0.000 1.134 68 F CB -0.004 38.891 39.000 -0.175 0.000 1.229 68 F HN -0.178 nan 8.300 nan 0.000 0.537 69 T N -0.966 113.543 114.554 -0.075 0.000 3.345 69 T HA 0.149 4.499 4.350 -0.001 0.000 0.273 69 T C 0.726 175.331 174.700 -0.159 0.000 0.853 69 T CA 0.099 62.143 62.100 -0.094 0.000 0.812 69 T CB 0.420 69.213 68.868 -0.126 0.000 1.246 69 T HN -0.073 nan 8.240 nan 0.000 0.737 70 I N 1.518 121.889 120.570 -0.332 0.000 3.856 70 I HA 0.502 4.671 4.170 -0.001 0.000 0.330 70 I C 1.513 177.202 176.117 -0.714 0.000 1.546 70 I CA 0.173 61.126 61.300 -0.577 0.000 1.132 70 I CB -0.015 37.652 38.000 -0.556 0.000 1.157 70 I HN 0.365 nan 8.210 nan 0.000 0.440 71 G N -0.183 108.410 108.800 -0.346 0.000 3.873 71 G HA2 0.184 4.144 3.960 -0.001 0.000 0.232 71 G HA3 0.184 4.144 3.960 -0.001 0.000 0.232 71 G C 0.892 175.798 174.900 0.009 0.000 1.097 71 G CA 0.185 45.184 45.100 -0.168 0.000 0.889 71 G HN 0.093 nan 8.290 nan 0.000 0.532 72 I N -0.606 119.967 120.570 0.004 0.000 4.312 72 I HA 0.303 4.472 4.170 -0.001 0.000 0.324 72 I C 1.272 177.470 176.117 0.136 0.000 1.298 72 I CA 0.136 61.451 61.300 0.025 0.000 1.231 72 I CB 0.252 38.250 38.000 -0.004 0.000 1.152 72 I HN 0.431 nan 8.210 nan 0.000 0.421 73 W N -0.009 121.338 121.300 0.077 0.000 3.114 73 W HA -0.003 4.657 4.660 -0.001 0.000 0.279 73 W C 0.721 177.368 176.519 0.213 0.000 1.277 73 W CA 0.186 57.637 57.345 0.177 0.000 1.630 73 W CB 0.394 30.026 29.460 0.287 0.000 1.087 73 W HN -0.057 nan 8.180 nan 0.000 0.637 74 F N -1.573 118.227 119.950 -0.250 0.000 2.704 74 F HA 0.199 4.725 4.527 -0.001 0.000 0.304 74 F C 0.808 176.216 175.800 -0.653 0.000 1.094 74 F CA -0.220 57.357 58.000 -0.706 0.000 1.275 74 F CB -1.057 37.739 39.000 -0.340 0.000 1.073 74 F HN -0.156 nan 8.300 nan 0.000 0.586 75 W N -1.615 119.536 121.300 -0.248 0.000 3.015 75 W HA 0.169 4.828 4.660 -0.000 0.000 0.429 75 W C 1.138 177.143 176.519 -0.857 0.000 0.976 75 W CA -0.151 56.859 57.345 -0.558 0.000 2.086 75 W CB 0.159 29.245 29.460 -0.624 0.000 1.125 75 W HN 0.002 nan 8.180 nan 0.000 0.721 76 Y N -0.855 119.031 120.300 -0.691 0.000 2.912 76 Y HA 0.073 4.623 4.550 -0.001 0.000 0.250 76 Y C 2.160 177.696 175.900 -0.606 0.000 1.073 76 Y CA 0.769 58.394 58.100 -0.792 0.000 1.275 76 Y CB -0.089 37.969 38.460 -0.671 0.000 1.470 76 Y HN -0.225 nan 8.280 nan 0.000 0.447 77 Q N 0.533 119.945 119.800 -0.647 0.000 2.016 77 Q HA -0.084 4.256 4.340 -0.001 0.000 0.200 77 Q C 2.143 177.946 176.000 -0.328 0.000 0.978 77 Q CA 1.469 56.936 55.803 -0.560 0.000 0.833 77 Q CB -0.348 28.012 28.738 -0.629 0.000 0.895 77 Q HN 0.510 nan 8.270 nan 0.000 0.427 78 A N 0.708 123.327 122.820 -0.335 0.000 2.272 78 A HA 0.023 4.342 4.320 -0.001 0.000 0.213 78 A C 1.333 178.907 177.584 -0.016 0.000 1.183 78 A CA 0.943 52.988 52.037 0.013 0.000 0.719 78 A CB -1.075 17.987 19.000 0.104 0.000 0.771 78 A HN 0.532 nan 8.150 nan 0.000 0.484 79 G N -2.123 106.584 108.800 -0.154 0.000 2.333 79 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.296 79 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.296 79 G C 0.107 175.151 174.900 0.240 0.000 1.059 79 G CA 0.097 45.186 45.100 -0.017 0.000 1.050 79 G HN 1.140 nan 8.290 nan 0.000 0.508 80 W N -2.093 119.267 121.300 0.101 0.000 6.105 80 W HA -0.207 4.452 4.660 -0.000 0.000 0.377 80 W C 0.674 177.346 176.519 0.255 0.000 1.366 80 W CA 0.515 57.991 57.345 0.218 0.000 1.011 80 W CB -1.842 27.655 29.460 0.062 0.000 2.481 80 W HN 0.655 nan 8.180 nan 0.000 1.597 81 N N 0.527 119.463 118.700 0.393 0.000 2.424 81 N HA 0.225 4.965 4.740 -0.001 0.000 0.271 81 N C -1.464 174.258 175.510 0.353 0.000 0.985 81 N CA -1.819 51.417 53.050 0.310 0.000 0.921 81 N CB 1.773 40.374 38.487 0.190 0.000 1.149 81 N HN -0.257 nan 8.380 nan 0.000 0.492 82 P HA 0.030 nan 4.420 nan 0.000 0.226 82 P C 0.512 177.972 177.300 0.265 0.000 1.153 82 P CA 0.714 64.050 63.100 0.392 0.000 0.777 82 P CB 0.445 32.335 31.700 0.317 0.000 0.794 83 A N -1.011 121.926 122.820 0.195 0.000 1.943 83 A HA -0.014 4.306 4.320 -0.001 0.000 0.213 83 A C 2.130 179.786 177.584 0.119 0.000 1.181 83 A CA 0.933 53.054 52.037 0.139 0.000 0.653 83 A CB -1.170 17.891 19.000 0.101 0.000 0.833 83 A HN -0.015 nan 8.150 nan 0.000 0.451 84 V N -1.159 118.836 119.914 0.135 0.000 2.453 84 V HA -0.148 3.972 4.120 -0.001 0.000 0.247 84 V C 2.167 178.369 176.094 0.181 0.000 1.048 84 V CA 1.585 63.957 62.300 0.119 0.000 1.049 84 V CB -0.913 31.001 31.823 0.151 0.000 0.672 84 V HN 0.589 nan 8.190 nan 0.000 0.457 85 F N -0.110 119.860 119.950 0.034 0.000 2.449 85 F HA -0.135 4.391 4.527 -0.001 0.000 0.299 85 F C 1.786 177.593 175.800 0.011 0.000 1.092 85 F CA 1.235 59.229 58.000 -0.010 0.000 1.446 85 F CB 0.084 38.702 39.000 -0.636 0.000 1.084 85 F HN 0.014 nan 8.300 nan 0.000 0.567 86 L N -0.993 120.243 121.223 0.022 0.000 2.347 86 L HA 0.061 4.400 4.340 -0.001 0.000 0.196 86 L C 2.408 179.297 176.870 0.032 0.000 1.072 86 L CA 0.806 55.644 54.840 -0.003 0.000 0.817 86 L CB -1.312 40.798 42.059 0.085 0.000 1.029 86 L HN 0.017 nan 8.230 nan 0.000 0.478 87 R N 0.860 121.368 120.500 0.015 0.000 2.177 87 R HA -0.167 4.173 4.340 -0.001 0.000 0.221 87 R C 0.440 176.720 176.300 -0.033 0.000 1.110 87 R CA 1.957 58.054 56.100 -0.004 0.000 0.875 87 R CB -0.206 30.061 30.300 -0.056 0.000 0.810 87 R HN 0.202 nan 8.270 nan 0.000 0.437 88 D N 1.527 121.780 120.400 -0.245 0.000 3.008 88 D HA -0.004 4.636 4.640 -0.001 0.000 0.242 88 D C 1.076 176.748 176.300 -1.048 0.000 1.222 88 D CA 0.027 53.760 54.000 -0.446 0.000 0.883 88 D CB 0.518 41.005 40.800 -0.521 0.000 1.110 88 D HN 0.211 nan 8.370 nan 0.000 0.455 89 L N -0.435 120.450 121.223 -0.563 0.000 2.023 89 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 89 L C 1.508 178.135 176.870 -0.404 0.000 1.073 89 L CA 1.613 55.995 54.840 -0.763 0.000 0.745 89 L CB -0.489 41.284 42.059 -0.477 0.000 0.900 89 L HN -0.114 nan 8.230 nan 0.000 0.435 90 F N 0.033 119.889 119.950 -0.156 0.000 1.993 90 F HA -0.194 4.332 4.527 -0.001 0.000 0.297 90 F C 2.301 178.123 175.800 0.037 0.000 1.177 90 F CA 1.861 59.783 58.000 -0.131 0.000 1.182 90 F CB -1.805 37.018 39.000 -0.294 0.000 0.958 90 F HN -0.022 nan 8.300 nan 0.000 0.496 91 F N -0.791 119.363 119.950 0.340 0.000 2.158 91 F HA -0.254 4.273 4.527 -0.001 0.000 0.299 91 F C 1.109 177.005 175.800 0.159 0.000 1.060 91 F CA 0.092 58.258 58.000 0.278 0.000 1.284 91 F CB -2.024 37.047 39.000 0.119 0.000 1.035 91 F HN -0.242 nan 8.300 nan 0.000 0.496 92 F N 0.830 120.865 119.950 0.141 0.000 2.594 92 F HA 0.104 4.631 4.527 -0.001 0.000 0.384 92 F C 0.847 176.567 175.800 -0.134 0.000 1.060 92 F CA 0.062 57.882 58.000 -0.299 0.000 1.278 92 F CB -0.319 38.043 39.000 -1.064 0.000 0.977 92 F HN -0.179 nan 8.300 nan 0.000 0.576 93 S N 4.361 120.178 115.700 0.194 0.000 2.689 93 S HA 0.460 4.930 4.470 -0.001 0.000 0.274 93 S C -1.488 173.383 174.600 0.452 0.000 1.176 93 S CA -0.838 57.565 58.200 0.338 0.000 1.014 93 S CB 0.593 63.978 63.200 0.309 0.000 1.071 93 S HN 0.552 nan 8.310 nan 0.000 0.478 94 L N 5.431 126.872 121.223 0.365 0.000 2.407 94 L HA 0.569 4.909 4.340 -0.001 0.000 0.261 94 L C 0.192 177.093 176.870 0.052 0.000 1.108 94 L CA 0.118 54.953 54.840 -0.008 0.000 0.995 94 L CB 0.054 41.821 42.059 -0.486 0.000 1.349 94 L HN 0.731 nan 8.230 nan 0.000 0.423 95 E N 4.581 124.814 120.200 0.057 0.000 2.410 95 E HA 0.202 4.552 4.350 -0.001 0.000 0.255 95 E C -2.198 174.245 176.600 -0.262 0.000 1.194 95 E CA -1.548 54.826 56.400 -0.044 0.000 0.955 95 E CB 0.006 29.731 29.700 0.042 0.000 0.988 95 E HN 0.473 nan 8.360 nan 0.000 0.461 96 P HA 0.054 nan 4.420 nan 0.000 0.272 96 P C -2.535 174.578 177.300 -0.311 0.000 1.254 96 P CA -1.104 61.433 63.100 -0.937 0.000 0.795 96 P CB -0.339 30.767 31.700 -0.991 0.000 1.022 97 P HA 0.183 nan 4.420 nan 0.000 0.288 97 P C 0.035 177.482 177.300 0.245 0.000 1.363 97 P CA -0.062 63.142 63.100 0.173 0.000 0.837 97 P CB 0.005 31.843 31.700 0.230 0.000 0.981 98 A N 7.030 129.930 122.820 0.133 0.000 2.655 98 A HA -0.141 4.178 4.320 -0.001 0.000 0.225 98 A C -1.032 176.536 177.584 -0.027 0.000 1.492 98 A CA 0.046 52.084 52.037 0.001 0.000 1.445 98 A CB -1.374 17.566 19.000 -0.101 0.000 1.103 98 A HN 0.426 nan 8.150 nan 0.000 0.515 99 P HA -0.116 nan 4.420 nan 0.000 0.219 99 P C 1.021 178.249 177.300 -0.120 0.000 1.146 99 P CA 1.632 64.684 63.100 -0.080 0.000 0.808 99 P CB 0.086 31.740 31.700 -0.078 0.000 0.779 100 E N -1.427 118.656 120.200 -0.197 0.000 2.049 100 E HA -0.237 4.113 4.350 -0.001 0.000 0.198 100 E C 1.800 178.287 176.600 -0.189 0.000 1.007 100 E CA 1.589 57.842 56.400 -0.245 0.000 0.809 100 E CB -0.920 28.547 29.700 -0.388 0.000 0.749 100 E HN 0.351 nan 8.360 nan 0.000 0.450 101 Y N -0.592 119.682 120.300 -0.043 0.000 2.060 101 Y HA -0.054 4.496 4.550 -0.001 0.000 0.276 101 Y C 2.126 177.942 175.900 -0.140 0.000 1.127 101 Y CA 1.237 59.305 58.100 -0.054 0.000 1.104 101 Y CB -1.016 37.441 38.460 -0.003 0.000 0.983 101 Y HN 0.237 nan 8.280 nan 0.000 0.483 102 G N -0.481 108.298 108.800 -0.035 0.000 3.138 102 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.247 102 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.247 102 G C 0.026 174.471 174.900 -0.759 0.000 1.642 102 G CA 0.024 44.948 45.100 -0.294 0.000 1.087 102 G HN 0.224 nan 8.290 nan 0.000 0.558 103 L N 2.405 123.225 121.223 -0.672 0.000 3.108 103 L HA 0.517 4.856 4.340 -0.001 0.000 0.251 103 L C 0.945 177.546 176.870 -0.448 0.000 1.315 103 L CA 0.374 54.668 54.840 -0.909 0.000 1.048 103 L CB 0.632 42.349 42.059 -0.569 0.000 1.432 103 L HN 0.618 nan 8.230 nan 0.000 0.543 104 S N -1.326 114.195 115.700 -0.300 0.000 2.565 104 S HA 0.531 5.000 4.470 -0.001 0.000 0.290 104 S C -0.113 174.408 174.600 -0.131 0.000 1.150 104 S CA -0.509 57.645 58.200 -0.077 0.000 1.058 104 S CB 1.137 64.355 63.200 0.029 0.000 1.032 104 S HN 0.177 nan 8.310 nan 0.000 0.510 105 F N 1.160 121.195 119.950 0.142 0.000 2.750 105 F HA 0.536 5.063 4.527 -0.001 0.000 0.297 105 F C 1.154 176.963 175.800 0.014 0.000 1.138 105 F CA -0.437 57.620 58.000 0.096 0.000 1.346 105 F CB 0.236 39.272 39.000 0.061 0.000 0.965 105 F HN 0.809 nan 8.300 nan 0.000 0.514 106 A N 0.706 123.573 122.820 0.078 0.000 3.253 106 A HA 0.777 5.097 4.320 -0.001 0.000 0.290 106 A C -0.044 177.448 177.584 -0.153 0.000 0.950 106 A CA -0.345 51.700 52.037 0.013 0.000 0.986 106 A CB -0.474 18.563 19.000 0.062 0.000 1.104 106 A HN 0.125 nan 8.150 nan 0.000 0.481 107 A N 2.198 124.847 122.820 -0.284 0.000 2.288 107 A HA 0.783 5.103 4.320 -0.001 0.000 0.320 107 A C -2.348 175.068 177.584 -0.279 0.000 1.217 107 A CA -1.655 49.981 52.037 -0.668 0.000 0.840 107 A CB 0.318 18.889 19.000 -0.716 0.000 1.179 107 A HN 0.420 nan 8.150 nan 0.000 0.504 108 P HA 0.024 nan 4.420 nan 0.000 0.267 108 P C 0.956 178.266 177.300 0.016 0.000 1.200 108 P CA -0.160 62.941 63.100 0.002 0.000 0.772 108 P CB 0.720 32.478 31.700 0.096 0.000 0.855 109 L N 2.224 123.471 121.223 0.040 0.000 1.924 109 L HA -0.288 4.051 4.340 -0.001 0.000 0.234 109 L C 2.640 179.564 176.870 0.090 0.000 1.090 109 L CA 2.079 56.950 54.840 0.052 0.000 0.816 109 L CB -1.103 40.992 42.059 0.060 0.000 0.901 109 L HN 0.457 nan 8.230 nan 0.000 0.433 110 K N -0.041 120.443 120.400 0.141 0.000 2.081 110 K HA -0.248 4.072 4.320 -0.001 0.000 0.222 110 K C 0.601 177.373 176.600 0.287 0.000 1.055 110 K CA 1.877 58.313 56.287 0.248 0.000 0.954 110 K CB -0.409 32.227 32.500 0.227 0.000 0.732 110 K HN 0.416 nan 8.250 nan 0.000 0.458 111 E N -0.043 120.290 120.200 0.223 0.000 1.893 111 E HA 0.147 4.497 4.350 -0.001 0.000 0.269 111 E C 0.574 177.288 176.600 0.189 0.000 1.129 111 E CA 0.101 56.639 56.400 0.230 0.000 0.904 111 E CB 0.716 30.563 29.700 0.244 0.000 1.077 111 E HN 0.501 nan 8.360 nan 0.000 0.407 112 G N 2.978 111.835 108.800 0.095 0.000 2.377 112 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.250 112 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.250 112 G C 1.131 176.069 174.900 0.063 0.000 1.039 112 G CA 0.178 45.319 45.100 0.069 0.000 0.625 112 G HN 0.665 nan 8.290 nan 0.000 0.526 113 G N -0.279 108.530 108.800 0.015 0.000 2.776 113 G HA2 0.281 4.240 3.960 -0.001 0.000 0.209 113 G HA3 0.281 4.240 3.960 -0.001 0.000 0.209 113 G C 1.250 176.151 174.900 0.002 0.000 1.145 113 G CA 1.198 46.283 45.100 -0.023 0.000 0.791 113 G HN 0.826 nan 8.290 nan 0.000 0.530 114 L N -1.696 119.519 121.223 -0.013 0.000 2.693 114 L HA 0.468 4.808 4.340 -0.001 0.000 0.235 114 L C 1.632 178.484 176.870 -0.030 0.000 1.127 114 L CA -0.320 54.494 54.840 -0.043 0.000 0.914 114 L CB 0.015 42.007 42.059 -0.111 0.000 1.193 114 L HN 0.381 nan 8.230 nan 0.000 0.502 115 W N -0.762 120.449 121.300 -0.147 0.000 2.539 115 W HA 0.046 4.706 4.660 -0.001 0.000 0.281 115 W C 1.651 178.161 176.519 -0.015 0.000 1.220 115 W CA 0.896 58.199 57.345 -0.069 0.000 1.332 115 W CB 0.182 29.567 29.460 -0.126 0.000 1.095 115 W HN 0.034 nan 8.180 nan 0.000 0.571 116 L N 0.908 122.168 121.223 0.061 0.000 1.937 116 L HA -0.266 4.073 4.340 -0.001 0.000 0.213 116 L C 2.221 178.999 176.870 -0.152 0.000 1.077 116 L CA 1.171 55.941 54.840 -0.117 0.000 0.758 116 L CB -1.522 40.498 42.059 -0.065 0.000 0.888 116 L HN -0.125 nan 8.230 nan 0.000 0.433 117 I N 0.385 120.908 120.570 -0.078 0.000 3.018 117 I HA -0.243 3.927 4.170 -0.001 0.000 0.277 117 I C 2.205 178.346 176.117 0.039 0.000 1.293 117 I CA 1.317 62.587 61.300 -0.050 0.000 1.427 117 I CB -2.213 35.783 38.000 -0.007 0.000 1.091 117 I HN 0.293 nan 8.210 nan 0.000 0.500 118 A N 0.084 122.874 122.820 -0.050 0.000 1.944 118 A HA 0.054 4.373 4.320 -0.001 0.000 0.207 118 A C 2.461 180.052 177.584 0.012 0.000 1.265 118 A CA 0.683 52.683 52.037 -0.061 0.000 0.712 118 A CB -0.414 18.430 19.000 -0.261 0.000 0.915 118 A HN 0.307 nan 8.150 nan 0.000 0.470 119 S N -0.275 115.298 115.700 -0.212 0.000 2.356 119 S HA -0.145 4.324 4.470 -0.001 0.000 0.223 119 S C 1.666 176.289 174.600 0.037 0.000 1.032 119 S CA 1.604 59.728 58.200 -0.126 0.000 1.005 119 S CB -0.578 62.290 63.200 -0.553 0.000 0.867 119 S HN 0.591 nan 8.310 nan 0.000 0.449 120 F N 2.079 121.924 119.950 -0.175 0.000 2.063 120 F HA -0.236 4.290 4.527 -0.001 0.000 0.298 120 F C 1.679 177.444 175.800 -0.057 0.000 1.105 120 F CA 1.482 59.368 58.000 -0.190 0.000 1.215 120 F CB -0.689 38.101 39.000 -0.350 0.000 0.972 120 F HN 0.152 nan 8.300 nan 0.000 0.483 121 F N 0.029 119.891 119.950 -0.146 0.000 2.269 121 F HA -0.182 4.344 4.527 -0.001 0.000 0.301 121 F C 2.587 178.292 175.800 -0.158 0.000 1.082 121 F CA 1.480 59.350 58.000 -0.216 0.000 1.360 121 F CB -0.943 38.076 39.000 0.030 0.000 1.041 121 F HN 0.130 nan 8.300 nan 0.000 0.512 122 M N -1.133 118.535 119.600 0.113 0.000 2.067 122 M HA -0.244 4.236 4.480 -0.001 0.000 0.260 122 M C 2.309 178.564 176.300 -0.074 0.000 1.069 122 M CA 1.874 57.041 55.300 -0.222 0.000 1.117 122 M CB -0.546 31.991 32.600 -0.106 0.000 1.334 122 M HN 0.151 nan 8.290 nan 0.000 0.407 123 F N 0.836 120.781 119.950 -0.008 0.000 2.069 123 F HA -0.212 4.315 4.527 -0.001 0.000 0.298 123 F C 1.861 177.645 175.800 -0.027 0.000 1.113 123 F CA 1.967 60.012 58.000 0.075 0.000 1.214 123 F CB -0.479 38.473 39.000 -0.081 0.000 0.978 123 F HN -0.057 nan 8.300 nan 0.000 0.474 124 V N 0.243 120.200 119.914 0.071 0.000 3.284 124 V HA -0.219 3.900 4.120 -0.001 0.000 0.273 124 V C 1.931 178.037 176.094 0.020 0.000 1.178 124 V CA 1.267 63.579 62.300 0.021 0.000 1.177 124 V CB -1.711 30.023 31.823 -0.148 0.000 0.793 124 V HN 0.520 nan 8.190 nan 0.000 0.536 125 A N -0.950 121.836 122.820 -0.057 0.000 2.108 125 A HA 0.193 4.513 4.320 -0.001 0.000 0.206 125 A C 2.029 179.571 177.584 -0.070 0.000 1.212 125 A CA 0.754 52.746 52.037 -0.074 0.000 0.843 125 A CB 0.243 19.118 19.000 -0.209 0.000 0.902 125 A HN 0.291 nan 8.150 nan 0.000 0.477 126 V N -2.527 117.271 119.914 -0.194 0.000 2.500 126 V HA -0.100 4.020 4.120 -0.001 0.000 0.243 126 V C 1.702 177.699 176.094 -0.160 0.000 1.039 126 V CA 0.931 63.083 62.300 -0.247 0.000 1.053 126 V CB -0.754 30.678 31.823 -0.652 0.000 0.695 126 V HN 0.747 nan 8.190 nan 0.000 0.463 127 W N 0.722 121.796 121.300 -0.376 0.000 3.405 127 W HA 0.167 4.827 4.660 -0.001 0.000 0.300 127 W C 2.096 178.611 176.519 -0.006 0.000 1.286 127 W CA 0.734 57.922 57.345 -0.262 0.000 1.762 127 W CB -0.277 28.846 29.460 -0.562 0.000 1.087 127 W HN 0.373 nan 8.180 nan 0.000 0.703 128 S N -2.756 113.050 115.700 0.175 0.000 2.578 128 S HA 0.031 4.500 4.470 -0.001 0.000 0.228 128 S C 1.266 175.976 174.600 0.183 0.000 1.022 128 S CA -0.402 57.902 58.200 0.172 0.000 0.967 128 S CB -0.562 62.731 63.200 0.154 0.000 0.914 128 S HN 0.417 nan 8.310 nan 0.000 0.515 129 W N 0.819 122.140 121.300 0.035 0.000 2.922 129 W HA 0.213 4.872 4.660 -0.001 0.000 0.260 129 W C 1.548 178.152 176.519 0.142 0.000 1.088 129 W CA 0.171 57.552 57.345 0.059 0.000 1.694 129 W CB -0.531 28.953 29.460 0.041 0.000 1.064 129 W HN 0.417 nan 8.180 nan 0.000 0.611 130 W N 2.514 123.897 121.300 0.138 0.000 2.318 130 W HA -0.141 4.519 4.660 -0.001 0.000 0.313 130 W C 2.336 178.761 176.519 -0.157 0.000 1.221 130 W CA 3.700 61.032 57.345 -0.023 0.000 1.266 130 W CB -0.876 28.104 29.460 -0.800 0.000 1.150 130 W HN -0.040 nan 8.180 nan 0.000 0.496 131 G N 0.134 109.032 108.800 0.163 0.000 2.499 131 G HA2 -0.337 3.623 3.960 -0.001 0.000 0.221 131 G HA3 -0.337 3.623 3.960 -0.001 0.000 0.221 131 G C 1.539 176.337 174.900 -0.171 0.000 1.109 131 G CA 1.119 46.221 45.100 0.005 0.000 0.749 131 G HN 0.390 nan 8.290 nan 0.000 0.568 132 R N 0.104 120.456 120.500 -0.248 0.000 2.140 132 R HA -0.013 4.326 4.340 -0.001 0.000 0.213 132 R C 2.838 178.910 176.300 -0.379 0.000 1.059 132 R CA 1.400 57.316 56.100 -0.306 0.000 1.000 132 R CB -0.399 29.650 30.300 -0.418 0.000 0.910 132 R HN 0.352 nan 8.270 nan 0.000 0.455 133 T N -1.771 112.500 114.554 -0.472 0.000 2.918 133 T HA -0.223 4.126 4.350 -0.001 0.000 0.271 133 T C 1.500 176.007 174.700 -0.322 0.000 1.104 133 T CA 1.102 62.957 62.100 -0.409 0.000 1.114 133 T CB -0.420 68.231 68.868 -0.361 0.000 0.855 133 T HN 0.431 nan 8.240 nan 0.000 0.518 134 Y N 1.309 121.304 120.300 -0.509 0.000 2.174 134 Y HA 0.108 4.657 4.550 -0.001 0.000 0.273 134 Y C 2.398 178.086 175.900 -0.354 0.000 1.087 134 Y CA 0.699 58.519 58.100 -0.466 0.000 1.078 134 Y CB -0.189 37.989 38.460 -0.470 0.000 1.010 134 Y HN 0.014 nan 8.280 nan 0.000 0.478 135 L N 0.212 121.315 121.223 -0.200 0.000 2.082 135 L HA -0.400 3.940 4.340 -0.001 0.000 0.223 135 L C 2.511 179.173 176.870 -0.346 0.000 1.086 135 L CA 1.478 56.148 54.840 -0.284 0.000 0.793 135 L CB -0.744 41.199 42.059 -0.194 0.000 0.896 135 L HN 0.351 nan 8.230 nan 0.000 0.441 136 R N -0.139 120.160 120.500 -0.335 0.000 2.096 136 R HA -0.061 4.279 4.340 -0.001 0.000 0.235 136 R C 2.285 178.401 176.300 -0.307 0.000 1.127 136 R CA 1.452 57.351 56.100 -0.336 0.000 0.968 136 R CB -1.148 28.970 30.300 -0.303 0.000 0.861 136 R HN 0.424 nan 8.270 nan 0.000 0.440 137 A N 0.602 123.233 122.820 -0.315 0.000 2.015 137 A HA -0.174 4.146 4.320 -0.001 0.000 0.219 137 A C 2.153 179.528 177.584 -0.349 0.000 1.163 137 A CA 1.398 53.250 52.037 -0.308 0.000 0.646 137 A CB -0.287 18.529 19.000 -0.307 0.000 0.806 137 A HN 0.405 nan 8.150 nan 0.000 0.448 138 Q N -0.844 118.702 119.800 -0.423 0.000 2.036 138 Q HA 0.092 4.431 4.340 -0.001 0.000 0.195 138 Q C 2.153 177.970 176.000 -0.304 0.000 0.971 138 Q CA 0.940 56.494 55.803 -0.414 0.000 0.826 138 Q CB -0.275 28.149 28.738 -0.524 0.000 0.896 138 Q HN 0.528 nan 8.270 nan 0.000 0.449 139 A N 0.592 123.234 122.820 -0.297 0.000 2.139 139 A HA -0.145 4.175 4.320 -0.001 0.000 0.221 139 A C 1.798 179.252 177.584 -0.218 0.000 1.159 139 A CA 1.103 52.989 52.037 -0.252 0.000 0.662 139 A CB -0.432 18.389 19.000 -0.298 0.000 0.796 139 A HN 0.451 nan 8.150 nan 0.000 0.463 140 L N -2.388 118.700 121.223 -0.226 0.000 2.316 140 L HA 0.288 4.627 4.340 -0.001 0.000 0.207 140 L C 1.512 178.277 176.870 -0.175 0.000 1.070 140 L CA 0.636 55.363 54.840 -0.188 0.000 0.820 140 L CB -0.112 41.833 42.059 -0.190 0.000 0.992 140 L HN 0.544 nan 8.230 nan 0.000 0.466 141 G N 1.075 109.754 108.800 -0.202 0.000 2.392 141 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.215 141 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.215 141 G C -0.346 174.445 174.900 -0.183 0.000 1.097 141 G CA -0.336 44.653 45.100 -0.185 0.000 0.840 141 G HN 0.123 nan 8.290 nan 0.000 0.492 142 M N 0.657 120.130 119.600 -0.210 0.000 2.383 142 M HA 0.600 5.079 4.480 -0.001 0.000 0.325 142 M C 1.031 177.205 176.300 -0.210 0.000 1.092 142 M CA -0.144 55.033 55.300 -0.204 0.000 0.961 142 M CB 1.949 34.430 32.600 -0.198 0.000 1.672 142 M HN 0.449 nan 8.290 nan 0.000 0.438 143 G N 2.157 110.843 108.800 -0.191 0.000 2.460 143 G HA2 -0.010 3.950 3.960 -0.001 0.000 0.230 143 G HA3 -0.010 3.950 3.960 -0.001 0.000 0.230 143 G C 0.459 175.302 174.900 -0.094 0.000 1.248 143 G CA -0.493 44.551 45.100 -0.093 0.000 0.863 143 G HN 0.719 nan 8.290 nan 0.000 0.549 144 K N 1.536 121.819 120.400 -0.195 0.000 2.632 144 K HA -0.027 4.293 4.320 -0.001 0.000 0.196 144 K C 1.498 177.908 176.600 -0.315 0.000 1.023 144 K CA 0.138 56.171 56.287 -0.423 0.000 1.098 144 K CB -0.419 31.531 32.500 -0.918 0.000 0.862 144 K HN 0.651 nan 8.250 nan 0.000 0.504 145 H N 0.769 119.710 119.070 -0.216 0.000 2.394 145 H HA -0.132 4.424 4.556 -0.001 0.000 0.297 145 H C 1.657 176.947 175.328 -0.064 0.000 1.113 145 H CA 2.137 58.144 56.048 -0.069 0.000 1.277 145 H CB -0.262 29.459 29.762 -0.069 0.000 1.370 145 H HN 0.173 nan 8.280 nan 0.000 0.506 146 T N -0.203 114.353 114.554 0.004 0.000 2.623 146 T HA -0.049 4.301 4.350 -0.001 0.000 0.254 146 T C 2.395 177.066 174.700 -0.047 0.000 1.075 146 T CA 1.304 63.376 62.100 -0.048 0.000 1.177 146 T CB -0.807 67.996 68.868 -0.109 0.000 0.869 146 T HN 0.469 nan 8.240 nan 0.000 0.403 147 A N 0.510 123.230 122.820 -0.167 0.000 2.023 147 A HA -0.222 4.098 4.320 -0.001 0.000 0.223 147 A C 2.154 179.738 177.584 0.000 0.000 1.180 147 A CA 1.907 53.764 52.037 -0.300 0.000 0.659 147 A CB -1.396 17.303 19.000 -0.502 0.000 0.817 147 A HN 0.738 nan 8.150 nan 0.000 0.466 148 W N -0.938 120.329 121.300 -0.055 0.000 2.381 148 W HA -0.054 4.605 4.660 -0.000 0.000 0.323 148 W C 2.818 179.361 176.519 0.040 0.000 1.194 148 W CA 0.605 57.953 57.345 0.004 0.000 1.296 148 W CB -0.321 29.082 29.460 -0.095 0.000 1.175 148 W HN 0.401 nan 8.180 nan 0.000 0.465 149 A N -0.044 122.902 122.820 0.210 0.000 2.148 149 A HA -0.283 4.037 4.320 -0.001 0.000 0.222 149 A C 1.638 179.359 177.584 0.228 0.000 1.161 149 A CA 1.583 53.669 52.037 0.082 0.000 0.662 149 A CB -1.047 17.936 19.000 -0.028 0.000 0.799 149 A HN 0.421 nan 8.150 nan 0.000 0.466 150 F N 0.042 120.072 119.950 0.133 0.000 2.098 150 F HA -0.073 4.453 4.527 -0.001 0.000 0.294 150 F C 1.825 177.765 175.800 0.232 0.000 1.107 150 F CA 1.201 59.311 58.000 0.184 0.000 1.234 150 F CB -1.048 38.088 39.000 0.226 0.000 1.002 150 F HN 0.227 nan 8.300 nan 0.000 0.472 151 L N 0.453 121.955 121.223 0.465 0.000 2.085 151 L HA -0.298 4.042 4.340 -0.001 0.000 0.218 151 L C 2.692 179.606 176.870 0.073 0.000 1.080 151 L CA 2.310 57.175 54.840 0.041 0.000 0.776 151 L CB -1.487 40.646 42.059 0.124 0.000 0.891 151 L HN 0.327 nan 8.230 nan 0.000 0.437 152 S N -1.095 114.692 115.700 0.146 0.000 2.380 152 S HA -0.335 4.135 4.470 -0.001 0.000 0.229 152 S C 2.106 176.854 174.600 0.247 0.000 1.050 152 S CA 2.148 60.440 58.200 0.153 0.000 1.100 152 S CB -0.709 62.553 63.200 0.104 0.000 0.984 152 S HN 0.752 nan 8.310 nan 0.000 0.434 153 A N 1.551 124.521 122.820 0.249 0.000 1.845 153 A HA -0.023 4.296 4.320 -0.001 0.000 0.215 153 A C 2.166 179.904 177.584 0.258 0.000 1.195 153 A CA 1.705 53.891 52.037 0.249 0.000 0.616 153 A CB -1.083 18.085 19.000 0.281 0.000 0.832 153 A HN 0.655 nan 8.150 nan 0.000 0.443 154 I N -1.797 118.856 120.570 0.139 0.000 2.227 154 I HA -0.397 3.772 4.170 -0.001 0.000 0.250 154 I C 2.405 178.803 176.117 0.468 0.000 1.087 154 I CA 1.967 63.379 61.300 0.186 0.000 1.352 154 I CB -0.499 37.428 38.000 -0.121 0.000 1.043 154 I HN 0.721 nan 8.210 nan 0.000 0.425 155 W N 1.493 122.873 121.300 0.133 0.000 2.194 155 W HA -0.385 4.275 4.660 -0.001 0.000 0.323 155 W C 2.597 179.203 176.519 0.146 0.000 1.222 155 W CA 1.126 58.547 57.345 0.126 0.000 1.136 155 W CB -0.484 29.023 29.460 0.078 0.000 1.162 155 W HN 0.093 nan 8.180 nan 0.000 0.466 156 L N 0.826 122.119 121.223 0.116 0.000 2.085 156 L HA -0.289 4.050 4.340 -0.001 0.000 0.218 156 L C 2.046 178.920 176.870 0.008 0.000 1.080 156 L CA 2.829 57.619 54.840 -0.083 0.000 0.776 156 L CB -1.522 40.559 42.059 0.035 0.000 0.891 156 L HN 0.449 nan 8.230 nan 0.000 0.437 157 W N -0.583 120.713 121.300 -0.006 0.000 2.353 157 W HA -0.235 4.425 4.660 -0.001 0.000 0.319 157 W C 2.456 178.999 176.519 0.040 0.000 1.207 157 W CA 1.844 59.197 57.345 0.014 0.000 1.291 157 W CB -0.318 29.166 29.460 0.039 0.000 1.159 157 W HN 0.078 nan 8.180 nan 0.000 0.478 158 M N 0.294 119.980 119.600 0.143 0.000 2.143 158 M HA -0.217 4.262 4.480 -0.001 0.000 0.258 158 M C 1.853 178.068 176.300 -0.142 0.000 1.071 158 M CA 1.508 56.796 55.300 -0.020 0.000 1.088 158 M CB -1.850 30.952 32.600 0.337 0.000 1.360 158 M HN -0.000 nan 8.290 nan 0.000 0.404 159 V N 0.552 120.313 119.914 -0.256 0.000 2.295 159 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 159 V C 1.937 177.899 176.094 -0.219 0.000 1.049 159 V CA 1.252 63.358 62.300 -0.324 0.000 1.024 159 V CB -0.502 30.994 31.823 -0.544 0.000 0.648 159 V HN 0.447 nan 8.190 nan 0.000 0.447 160 L N 0.116 121.192 121.223 -0.245 0.000 2.928 160 L HA 0.491 4.831 4.340 -0.001 0.000 0.236 160 L C 1.135 177.837 176.870 -0.280 0.000 1.290 160 L CA 0.633 55.338 54.840 -0.226 0.000 1.099 160 L CB -0.352 41.557 42.059 -0.249 0.000 1.437 160 L HN 0.336 nan 8.230 nan 0.000 0.493 161 G N -1.698 106.924 108.800 -0.298 0.000 4.247 161 G HA2 0.115 4.075 3.960 -0.001 0.000 0.231 161 G HA3 0.115 4.075 3.960 -0.001 0.000 0.231 161 G C -0.012 174.837 174.900 -0.085 0.000 1.079 161 G CA 0.137 45.029 45.100 -0.346 0.000 0.850 161 G HN 0.258 nan 8.290 nan 0.000 0.435 162 F N -0.791 119.048 119.950 -0.186 0.000 2.041 162 F HA 0.169 4.696 4.527 -0.001 0.000 0.451 162 F C 1.097 176.900 175.800 0.005 0.000 0.879 162 F CA -0.014 57.945 58.000 -0.068 0.000 0.758 162 F CB -0.438 38.468 39.000 -0.156 0.000 1.269 162 F HN -0.069 nan 8.300 nan 0.000 0.499 163 I N 1.855 122.436 120.570 0.018 0.000 2.054 163 I HA -0.205 3.965 4.170 -0.001 0.000 0.231 163 I C 2.547 178.623 176.117 -0.068 0.000 1.052 163 I CA 2.204 63.483 61.300 -0.035 0.000 1.320 163 I CB -1.449 36.536 38.000 -0.026 0.000 1.063 163 I HN 0.232 nan 8.210 nan 0.000 0.393 164 R N 1.332 121.802 120.500 -0.051 0.000 2.119 164 R HA -0.160 4.179 4.340 -0.001 0.000 0.246 164 R C -1.103 175.207 176.300 0.018 0.000 1.146 164 R CA 1.647 57.744 56.100 -0.004 0.000 0.962 164 R CB -1.174 29.145 30.300 0.031 0.000 0.863 164 R HN 0.255 nan 8.270 nan 0.000 0.442 165 P HA 0.018 nan 4.420 nan 0.000 0.258 165 P C -0.058 177.243 177.300 0.000 0.000 1.559 165 P CA 0.504 63.651 63.100 0.078 0.000 0.855 165 P CB 0.361 32.180 31.700 0.199 0.000 1.594 166 I N -1.627 118.878 120.570 -0.108 0.000 4.624 166 I HA 0.125 4.294 4.170 -0.001 0.000 0.327 166 I C 1.280 177.308 176.117 -0.148 0.000 1.295 166 I CA 0.463 61.642 61.300 -0.203 0.000 1.267 166 I CB 0.218 38.034 38.000 -0.307 0.000 1.249 166 I HN -0.027 nan 8.210 nan 0.000 0.440 167 L N -0.204 120.966 121.223 -0.089 0.000 2.607 167 L HA 0.149 4.488 4.340 -0.001 0.000 0.228 167 L C 1.689 178.530 176.870 -0.048 0.000 1.123 167 L CA 0.261 55.068 54.840 -0.055 0.000 0.890 167 L CB -0.068 41.978 42.059 -0.021 0.000 1.103 167 L HN 0.073 nan 8.230 nan 0.000 0.468 168 M N -0.872 118.692 119.600 -0.061 0.000 2.338 168 M HA 0.315 4.795 4.480 -0.001 0.000 0.276 168 M C 1.704 177.938 176.300 -0.111 0.000 1.057 168 M CA 0.826 56.095 55.300 -0.051 0.000 1.079 168 M CB 0.077 32.679 32.600 0.003 0.000 1.547 168 M HN 0.275 nan 8.290 nan 0.000 0.549 169 G N 2.205 110.892 108.800 -0.189 0.000 2.216 169 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.269 169 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.269 169 G C 0.312 175.003 174.900 -0.349 0.000 0.981 169 G CA 0.901 45.816 45.100 -0.309 0.000 0.658 169 G HN 0.625 nan 8.290 nan 0.000 0.539 170 S N -1.080 114.499 115.700 -0.201 0.000 2.461 170 S HA 0.471 4.941 4.470 -0.001 0.000 0.322 170 S C 0.750 175.368 174.600 0.030 0.000 1.063 170 S CA -0.287 57.843 58.200 -0.117 0.000 1.120 170 S CB 0.701 63.870 63.200 -0.051 0.000 0.968 170 S HN 0.358 nan 8.310 nan 0.000 0.467 171 W N 2.342 123.585 121.300 -0.095 0.000 2.424 171 W HA -0.132 4.528 4.660 -0.001 0.000 0.264 171 W C 2.339 178.682 176.519 -0.293 0.000 1.229 171 W CA 0.501 57.746 57.345 -0.166 0.000 1.208 171 W CB 0.167 29.543 29.460 -0.140 0.000 1.127 171 W HN 0.851 nan 8.180 nan 0.000 0.588 172 S N -0.122 115.604 115.700 0.043 0.000 2.631 172 S HA -0.026 4.444 4.470 -0.001 0.000 0.217 172 S C 1.056 175.695 174.600 0.066 0.000 0.958 172 S CA 0.435 58.615 58.200 -0.033 0.000 0.920 172 S CB -0.094 63.098 63.200 -0.013 0.000 0.776 172 S HN 0.068 nan 8.310 nan 0.000 0.517 173 E N 1.077 121.353 120.200 0.126 0.000 2.451 173 E HA 0.457 4.807 4.350 -0.001 0.000 0.194 173 E C 0.411 177.265 176.600 0.423 0.000 1.027 173 E CA -0.028 56.530 56.400 0.263 0.000 0.914 173 E CB 0.886 30.706 29.700 0.199 0.000 1.054 173 E HN 0.667 nan 8.360 nan 0.000 0.461 174 A N 0.017 122.979 122.820 0.237 0.000 2.352 174 A HA 0.646 4.966 4.320 -0.001 0.000 0.299 174 A C -0.013 177.454 177.584 -0.196 0.000 1.160 174 A CA -0.526 51.541 52.037 0.051 0.000 0.933 174 A CB 0.925 19.897 19.000 -0.046 0.000 1.387 174 A HN -0.027 nan 8.150 nan 0.000 0.487 175 V N 1.735 121.277 119.914 -0.619 0.000 2.532 175 V HA 0.493 4.612 4.120 -0.001 0.000 0.295 175 V C -2.142 173.720 176.094 -0.387 0.000 1.041 175 V CA -1.262 60.460 62.300 -0.963 0.000 0.926 175 V CB 1.313 32.501 31.823 -1.058 0.000 0.992 175 V HN 0.860 nan 8.190 nan 0.000 0.457 176 P HA 0.397 nan 4.420 nan 0.000 0.285 176 P C -1.751 175.462 177.300 -0.146 0.000 1.269 176 P CA -0.672 62.324 63.100 -0.174 0.000 0.844 176 P CB 0.963 32.668 31.700 0.009 0.000 1.094 177 Y N 0.307 120.765 120.300 0.264 0.000 2.452 177 Y HA 0.608 5.158 4.550 -0.001 0.000 0.348 177 Y C 1.337 177.440 175.900 0.339 0.000 0.985 177 Y CA 0.151 58.360 58.100 0.181 0.000 1.214 177 Y CB 0.382 38.852 38.460 0.018 0.000 1.136 177 Y HN 0.653 nan 8.280 nan 0.000 0.523 178 G N 2.093 111.133 108.800 0.400 0.000 2.405 178 G HA2 0.209 4.168 3.960 -0.001 0.000 0.303 178 G HA3 0.209 4.168 3.960 -0.001 0.000 0.303 178 G C 0.098 175.139 174.900 0.235 0.000 1.644 178 G CA -0.917 44.462 45.100 0.465 0.000 0.899 178 G HN 0.544 nan 8.290 nan 0.000 0.667 179 I N 0.402 121.051 120.570 0.131 0.000 2.064 179 I HA -0.277 3.892 4.170 -0.001 0.000 0.234 179 I C 2.354 178.461 176.117 -0.016 0.000 1.019 179 I CA 2.061 63.296 61.300 -0.108 0.000 1.301 179 I CB -0.296 37.458 38.000 -0.411 0.000 1.017 179 I HN 0.485 nan 8.210 nan 0.000 0.392 180 F N 1.037 121.090 119.950 0.173 0.000 2.335 180 F HA -0.099 4.428 4.527 -0.001 0.000 0.296 180 F C 2.905 178.825 175.800 0.200 0.000 1.091 180 F CA 0.970 59.041 58.000 0.120 0.000 1.399 180 F CB -1.227 37.704 39.000 -0.115 0.000 1.067 180 F HN 0.136 nan 8.300 nan 0.000 0.520 181 S N 0.281 116.216 115.700 0.391 0.000 2.409 181 S HA -0.369 4.101 4.470 -0.001 0.000 0.237 181 S C 2.043 176.877 174.600 0.391 0.000 1.060 181 S CA 2.076 60.483 58.200 0.345 0.000 1.052 181 S CB -1.215 62.175 63.200 0.317 0.000 0.871 181 S HN 0.682 nan 8.310 nan 0.000 0.465 182 H N 1.570 120.784 119.070 0.240 0.000 2.465 182 H HA 0.272 4.827 4.556 -0.001 0.000 0.289 182 H C 2.034 177.545 175.328 0.305 0.000 1.022 182 H CA 0.752 56.952 56.048 0.253 0.000 1.340 182 H CB -0.830 28.991 29.762 0.098 0.000 1.437 182 H HN 0.424 nan 8.280 nan 0.000 0.539 183 L N 0.917 122.101 121.223 -0.066 0.000 2.081 183 L HA -0.191 4.149 4.340 -0.001 0.000 0.212 183 L C 1.865 178.751 176.870 0.026 0.000 1.080 183 L CA 1.774 56.529 54.840 -0.141 0.000 0.754 183 L CB -0.226 41.925 42.059 0.154 0.000 0.893 183 L HN 0.253 nan 8.230 nan 0.000 0.433 184 D N -1.583 118.896 120.400 0.131 0.000 2.213 184 D HA -0.170 4.469 4.640 -0.001 0.000 0.205 184 D C 1.720 178.098 176.300 0.131 0.000 0.961 184 D CA 0.604 54.668 54.000 0.105 0.000 0.853 184 D CB -0.173 40.692 40.800 0.109 0.000 0.967 184 D HN 0.402 nan 8.370 nan 0.000 0.496 185 W N 2.207 123.531 121.300 0.040 0.000 2.325 185 W HA -0.239 4.421 4.660 -0.001 0.000 0.299 185 W C 1.942 178.503 176.519 0.071 0.000 1.215 185 W CA 1.994 59.380 57.345 0.069 0.000 1.244 185 W CB -0.115 29.396 29.460 0.085 0.000 1.140 185 W HN -0.149 nan 8.180 nan 0.000 0.523 186 T N -0.264 114.490 114.554 0.333 0.000 2.732 186 T HA -0.221 4.129 4.350 -0.001 0.000 0.261 186 T C 1.393 176.115 174.700 0.036 0.000 1.040 186 T CA 1.641 63.860 62.100 0.199 0.000 1.145 186 T CB -0.678 68.256 68.868 0.109 0.000 0.866 186 T HN 0.232 nan 8.240 nan 0.000 0.427 187 N N 1.463 120.169 118.700 0.010 0.000 2.120 187 N HA -0.055 4.685 4.740 -0.001 0.000 0.188 187 N C 1.481 176.956 175.510 -0.059 0.000 1.024 187 N CA 1.075 54.108 53.050 -0.029 0.000 0.852 187 N CB -0.290 38.185 38.487 -0.020 0.000 1.003 187 N HN 0.312 nan 8.380 nan 0.000 0.424 188 N N -1.226 117.425 118.700 -0.082 0.000 2.501 188 N HA -0.059 4.681 4.740 -0.001 0.000 0.195 188 N C -0.013 175.369 175.510 -0.213 0.000 1.213 188 N CA 0.017 52.981 53.050 -0.142 0.000 0.864 188 N CB 0.069 38.465 38.487 -0.151 0.000 0.999 188 N HN 0.286 nan 8.380 nan 0.000 0.454 189 F N -0.641 119.108 119.950 -0.334 0.000 2.699 189 F HA 0.141 4.668 4.527 -0.001 0.000 0.295 189 F C 2.295 177.978 175.800 -0.195 0.000 1.052 189 F CA 0.041 57.830 58.000 -0.352 0.000 1.239 189 F CB -0.297 38.312 39.000 -0.652 0.000 1.018 189 F HN -0.140 nan 8.300 nan 0.000 0.627 190 S N 0.354 116.060 115.700 0.009 0.000 2.469 190 S HA -0.086 4.384 4.470 -0.001 0.000 0.238 190 S C 1.692 176.233 174.600 -0.097 0.000 0.998 190 S CA 1.474 59.617 58.200 -0.096 0.000 0.957 190 S CB -0.354 62.742 63.200 -0.173 0.000 0.764 190 S HN 0.431 nan 8.310 nan 0.000 0.514 191 L N 0.244 121.411 121.223 -0.094 0.000 2.262 191 L HA 0.211 4.551 4.340 -0.001 0.000 0.197 191 L C 2.124 178.915 176.870 -0.132 0.000 1.073 191 L CA 0.361 55.140 54.840 -0.101 0.000 0.800 191 L CB -0.666 41.331 42.059 -0.103 0.000 0.987 191 L HN 0.099 nan 8.230 nan 0.000 0.470 192 V N -0.005 119.780 119.914 -0.215 0.000 3.440 192 V HA -0.212 3.907 4.120 -0.001 0.000 0.274 192 V C 1.207 176.944 176.094 -0.595 0.000 1.207 192 V CA 1.495 63.569 62.300 -0.376 0.000 1.183 192 V CB -1.512 30.017 31.823 -0.490 0.000 0.837 192 V HN 0.491 nan 8.190 nan 0.000 0.532 193 H N -1.468 117.451 119.070 -0.250 0.000 3.440 193 H HA 0.509 5.065 4.556 -0.001 0.000 0.259 193 H C 1.294 176.634 175.328 0.020 0.000 1.120 193 H CA 0.468 56.451 56.048 -0.108 0.000 1.191 193 H CB 1.242 30.895 29.762 -0.182 0.000 1.537 193 H HN 0.383 nan 8.280 nan 0.000 0.547 194 G N 0.567 109.396 108.800 0.049 0.000 2.731 194 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.218 194 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.218 194 G C -0.799 174.104 174.900 0.005 0.000 1.349 194 G CA -0.231 44.900 45.100 0.051 0.000 1.225 194 G HN 0.333 nan 8.290 nan 0.000 0.526 195 N N 0.396 119.128 118.700 0.053 0.000 2.258 195 N HA 0.624 5.363 4.740 -0.001 0.000 0.299 195 N C -0.136 175.381 175.510 0.010 0.000 1.047 195 N CA -0.569 52.487 53.050 0.009 0.000 0.814 195 N CB 1.902 40.487 38.487 0.163 0.000 1.413 195 N HN 0.324 nan 8.380 nan 0.000 0.478 196 L N 2.956 124.013 121.223 -0.277 0.000 2.667 196 L HA 0.334 4.674 4.340 -0.001 0.000 0.232 196 L C 0.947 177.618 176.870 -0.331 0.000 1.138 196 L CA 0.145 54.740 54.840 -0.409 0.000 0.921 196 L CB -0.233 41.430 42.059 -0.659 0.000 1.180 196 L HN 0.506 nan 8.230 nan 0.000 0.487 197 F N -1.409 118.453 119.950 -0.146 0.000 2.367 197 F HA -0.002 4.525 4.527 -0.001 0.000 0.298 197 F C 0.771 176.469 175.800 -0.170 0.000 1.094 197 F CA -0.034 57.863 58.000 -0.171 0.000 1.409 197 F CB -0.652 38.171 39.000 -0.296 0.000 1.064 197 F HN -0.009 nan 8.300 nan 0.000 0.528 198 Y N 1.246 121.690 120.300 0.241 0.000 2.623 198 Y HA 0.228 4.778 4.550 -0.001 0.000 0.341 198 Y C 0.497 176.619 175.900 0.371 0.000 1.292 198 Y CA -0.268 58.020 58.100 0.314 0.000 1.840 198 Y CB -0.554 38.129 38.460 0.371 0.000 1.865 198 Y HN -0.063 nan 8.280 nan 0.000 0.440 199 N N 2.530 121.426 118.700 0.326 0.000 3.049 199 N HA 0.060 4.800 4.740 -0.001 0.000 0.241 199 N C -3.216 172.394 175.510 0.166 0.000 1.323 199 N CA -1.249 51.931 53.050 0.216 0.000 0.824 199 N CB 1.736 39.951 38.487 -0.454 0.000 1.557 199 N HN -0.042 nan 8.380 nan 0.000 0.612 200 P HA 0.183 nan 4.420 nan 0.000 0.246 200 P C -0.449 176.634 177.300 -0.362 0.000 1.675 200 P CA 0.216 63.256 63.100 -0.100 0.000 0.908 200 P CB -0.788 30.835 31.700 -0.127 0.000 1.890 201 F N -1.866 118.134 119.950 0.083 0.000 3.087 201 F HA 0.161 4.688 4.527 -0.000 0.000 0.371 201 F C 1.370 177.200 175.800 0.049 0.000 1.144 201 F CA -0.165 57.877 58.000 0.070 0.000 1.030 201 F CB 0.170 39.213 39.000 0.070 0.000 1.366 201 F HN 0.193 nan 8.300 nan 0.000 0.522 202 H N -1.483 117.637 119.070 0.083 0.000 3.726 202 H HA 0.362 4.917 4.556 -0.001 0.000 0.262 202 H C 1.346 176.674 175.328 0.001 0.000 1.181 202 H CA 0.937 56.998 56.048 0.023 0.000 1.143 202 H CB 0.842 30.582 29.762 -0.037 0.000 1.627 202 H HN 0.170 nan 8.280 nan 0.000 0.750 203 G N 0.248 109.087 108.800 0.065 0.000 3.274 203 G HA2 0.180 4.140 3.960 -0.001 0.000 0.250 203 G HA3 0.180 4.140 3.960 -0.001 0.000 0.250 203 G C 0.604 175.436 174.900 -0.113 0.000 1.024 203 G CA 0.149 45.242 45.100 -0.012 0.000 0.840 203 G HN 0.202 nan 8.290 nan 0.000 0.522 204 L N -0.906 120.248 121.223 -0.114 0.000 2.598 204 L HA 0.373 4.713 4.340 -0.001 0.000 0.205 204 L C 2.551 179.327 176.870 -0.157 0.000 1.054 204 L CA 1.290 56.013 54.840 -0.195 0.000 0.934 204 L CB -0.165 41.805 42.059 -0.148 0.000 1.704 204 L HN 0.048 nan 8.230 nan 0.000 0.491 205 S N -0.045 115.679 115.700 0.040 0.000 2.392 205 S HA -0.216 4.253 4.470 -0.001 0.000 0.232 205 S C 2.026 176.608 174.600 -0.031 0.000 1.041 205 S CA 2.073 60.353 58.200 0.134 0.000 1.026 205 S CB -0.366 62.904 63.200 0.116 0.000 0.845 205 S HN 0.353 nan 8.310 nan 0.000 0.465 206 I N 1.327 121.771 120.570 -0.211 0.000 2.142 206 I HA -0.206 3.964 4.170 -0.001 0.000 0.240 206 I C 2.844 178.660 176.117 -0.503 0.000 1.078 206 I CA 1.125 62.200 61.300 -0.374 0.000 1.343 206 I CB -0.829 36.922 38.000 -0.416 0.000 1.046 206 I HN 0.437 nan 8.210 nan 0.000 0.405 207 A N 1.019 123.554 122.820 -0.475 0.000 1.929 207 A HA -0.302 4.018 4.320 -0.001 0.000 0.221 207 A C 2.059 179.464 177.584 -0.299 0.000 1.211 207 A CA 2.164 53.913 52.037 -0.481 0.000 0.657 207 A CB -1.193 17.515 19.000 -0.486 0.000 0.827 207 A HN 0.384 nan 8.150 nan 0.000 0.462 208 F N -1.257 118.658 119.950 -0.057 0.000 2.186 208 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 208 F C 1.785 177.636 175.800 0.085 0.000 1.090 208 F CA 0.931 58.951 58.000 0.035 0.000 1.307 208 F CB -0.654 38.382 39.000 0.061 0.000 1.019 208 F HN 0.229 nan 8.300 nan 0.000 0.489 209 L N -1.070 120.307 121.223 0.257 0.000 2.749 209 L HA -0.129 4.211 4.340 -0.001 0.000 0.245 209 L C 0.754 177.915 176.870 0.485 0.000 1.156 209 L CA 1.272 56.282 54.840 0.283 0.000 0.890 209 L CB -1.409 40.774 42.059 0.206 0.000 1.036 209 L HN 0.080 nan 8.230 nan 0.000 0.441 210 Y N -1.891 118.457 120.300 0.079 0.000 2.609 210 Y HA 0.361 4.911 4.550 -0.001 0.000 0.281 210 Y C 2.264 178.195 175.900 0.051 0.000 1.132 210 Y CA 0.138 58.264 58.100 0.043 0.000 1.264 210 Y CB -0.853 37.611 38.460 0.008 0.000 1.325 210 Y HN 0.070 nan 8.280 nan 0.000 0.514 211 G N -0.647 108.303 108.800 0.249 0.000 2.394 211 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.214 211 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.214 211 G C 1.679 176.655 174.900 0.127 0.000 1.176 211 G CA 1.075 46.262 45.100 0.145 0.000 0.786 211 G HN 0.292 nan 8.290 nan 0.000 0.533 212 S N 0.809 116.613 115.700 0.173 0.000 2.571 212 S HA 0.095 4.564 4.470 -0.001 0.000 0.245 212 S C 2.170 176.868 174.600 0.163 0.000 0.976 212 S CA 0.973 59.269 58.200 0.160 0.000 0.954 212 S CB -0.063 63.234 63.200 0.162 0.000 0.756 212 S HN 0.626 nan 8.310 nan 0.000 0.535 213 A N 0.536 123.430 122.820 0.124 0.000 1.970 213 A HA 0.345 4.665 4.320 -0.001 0.000 0.204 213 A C 1.806 179.418 177.584 0.046 0.000 1.325 213 A CA 0.120 52.194 52.037 0.060 0.000 0.767 213 A CB -0.437 18.574 19.000 0.019 0.000 0.949 213 A HN 0.391 nan 8.150 nan 0.000 0.481 214 L N -0.283 120.969 121.223 0.050 0.000 2.034 214 L HA 0.062 4.401 4.340 -0.001 0.000 0.203 214 L C 2.039 178.937 176.870 0.047 0.000 1.074 214 L CA 1.871 56.736 54.840 0.040 0.000 0.748 214 L CB -1.089 40.991 42.059 0.035 0.000 0.905 214 L HN 0.276 nan 8.230 nan 0.000 0.439 215 L N -0.446 120.788 121.223 0.018 0.000 1.915 215 L HA -0.249 4.091 4.340 -0.001 0.000 0.225 215 L C 2.370 179.285 176.870 0.075 0.000 1.084 215 L CA 2.288 57.103 54.840 -0.041 0.000 0.788 215 L CB -1.555 40.440 42.059 -0.106 0.000 0.892 215 L HN 0.391 nan 8.230 nan 0.000 0.434 216 F N 0.926 120.837 119.950 -0.065 0.000 2.082 216 F HA -0.276 4.250 4.527 -0.001 0.000 0.298 216 F C 1.961 177.758 175.800 -0.004 0.000 1.091 216 F CA 1.296 59.270 58.000 -0.043 0.000 1.230 216 F CB -1.154 37.821 39.000 -0.043 0.000 0.983 216 F HN 0.259 nan 8.300 nan 0.000 0.485 217 A N -0.574 122.397 122.820 0.251 0.000 2.604 217 A HA 0.245 4.564 4.320 -0.001 0.000 0.248 217 A C 1.480 179.138 177.584 0.123 0.000 1.466 217 A CA 0.488 52.589 52.037 0.107 0.000 1.222 217 A CB -0.814 18.197 19.000 0.018 0.000 0.945 217 A HN 0.600 nan 8.150 nan 0.000 0.600 218 M N -3.287 116.413 119.600 0.167 0.000 1.869 218 M HA 0.102 4.582 4.480 -0.001 0.000 0.287 218 M C 1.556 177.959 176.300 0.173 0.000 1.017 218 M CA 0.231 55.630 55.300 0.165 0.000 1.077 218 M CB 0.315 32.939 32.600 0.040 0.000 1.989 218 M HN 0.663 nan 8.290 nan 0.000 0.694 219 H N 0.205 119.310 119.070 0.058 0.000 2.457 219 H HA 0.073 4.629 4.556 -0.001 0.000 0.294 219 H C 1.701 177.073 175.328 0.072 0.000 1.064 219 H CA 2.297 58.359 56.048 0.024 0.000 1.330 219 H CB 0.007 29.716 29.762 -0.089 0.000 1.395 219 H HN 0.371 nan 8.280 nan 0.000 0.541 220 G N -0.370 108.493 108.800 0.104 0.000 2.404 220 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.213 220 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.213 220 G C 1.945 176.808 174.900 -0.062 0.000 1.189 220 G CA 0.596 45.692 45.100 -0.007 0.000 0.796 220 G HN 0.535 nan 8.290 nan 0.000 0.532 221 A N 0.324 123.140 122.820 -0.007 0.000 1.958 221 A HA -0.053 4.267 4.320 -0.001 0.000 0.221 221 A C 2.396 179.939 177.584 -0.069 0.000 1.178 221 A CA 2.576 54.595 52.037 -0.030 0.000 0.642 221 A CB -0.860 18.162 19.000 0.037 0.000 0.816 221 A HN 0.363 nan 8.150 nan 0.000 0.453 222 T N 0.028 114.575 114.554 -0.012 0.000 2.975 222 T HA 0.037 4.387 4.350 -0.001 0.000 0.220 222 T C 1.781 176.406 174.700 -0.126 0.000 1.011 222 T CA 0.697 62.788 62.100 -0.015 0.000 1.880 222 T CB -0.429 68.529 68.868 0.150 0.000 1.348 222 T HN 0.219 nan 8.240 nan 0.000 0.415 223 I N 1.404 121.832 120.570 -0.236 0.000 2.404 223 I HA -0.308 3.862 4.170 -0.001 0.000 0.236 223 I C 2.438 178.453 176.117 -0.171 0.000 0.953 223 I CA 1.896 63.045 61.300 -0.251 0.000 1.253 223 I CB -1.311 36.436 38.000 -0.422 0.000 0.960 223 I HN 0.325 nan 8.210 nan 0.000 0.402 224 L N 0.106 121.224 121.223 -0.174 0.000 1.970 224 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 224 L C 2.852 179.614 176.870 -0.181 0.000 1.071 224 L CA 1.675 56.413 54.840 -0.171 0.000 0.751 224 L CB -0.912 41.043 42.059 -0.173 0.000 0.889 224 L HN 0.308 nan 8.230 nan 0.000 0.432 225 A N 0.177 122.893 122.820 -0.172 0.000 2.001 225 A HA -0.244 4.075 4.320 -0.001 0.000 0.224 225 A C 1.977 179.436 177.584 -0.208 0.000 1.203 225 A CA 2.599 54.531 52.037 -0.175 0.000 0.667 225 A CB -1.143 17.753 19.000 -0.173 0.000 0.823 225 A HN 0.446 nan 8.150 nan 0.000 0.473 226 V N -1.958 117.841 119.914 -0.193 0.000 3.342 226 V HA 0.150 4.269 4.120 -0.001 0.000 0.322 226 V C 1.720 177.624 176.094 -0.316 0.000 1.370 226 V CA 0.893 63.033 62.300 -0.266 0.000 1.170 226 V CB -0.911 30.902 31.823 -0.016 0.000 1.101 226 V HN 0.687 nan 8.190 nan 0.000 0.442 227 S N 3.029 118.578 115.700 -0.252 0.000 2.372 227 S HA -0.374 4.095 4.470 -0.001 0.000 0.227 227 S C 2.059 176.521 174.600 -0.229 0.000 1.044 227 S CA 2.054 60.144 58.200 -0.184 0.000 1.050 227 S CB -0.968 62.138 63.200 -0.157 0.000 0.901 227 S HN 0.869 nan 8.310 nan 0.000 0.447 228 R N 0.775 121.027 120.500 -0.413 0.000 2.294 228 R HA -0.131 4.208 4.340 -0.001 0.000 0.250 228 R C -0.178 175.925 176.300 -0.328 0.000 1.181 228 R CA 1.353 57.171 56.100 -0.470 0.000 1.016 228 R CB -0.889 28.961 30.300 -0.751 0.000 0.869 228 R HN 0.570 nan 8.270 nan 0.000 0.476 229 F N 0.664 120.616 119.950 0.003 0.000 2.530 229 F HA 0.461 4.988 4.527 -0.001 0.000 0.318 229 F C 0.992 176.791 175.800 -0.001 0.000 1.356 229 F CA -1.740 56.261 58.000 0.003 0.000 1.135 229 F CB 0.754 39.755 39.000 0.001 0.000 1.315 229 F HN 0.181 nan 8.300 nan 0.000 0.549 230 G N 0.393 109.262 108.800 0.114 0.000 2.321 230 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.287 230 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.287 230 G C 1.368 176.293 174.900 0.043 0.000 1.018 230 G CA 0.489 45.627 45.100 0.065 0.000 0.855 230 G HN 0.848 nan 8.290 nan 0.000 0.507 231 G N 0.906 109.715 108.800 0.014 0.000 2.511 231 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.216 231 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.216 231 G C 1.463 176.353 174.900 -0.017 0.000 1.218 231 G CA 1.717 46.811 45.100 -0.010 0.000 0.788 231 G HN 0.906 nan 8.290 nan 0.000 0.560 232 E N 1.855 122.037 120.200 -0.030 0.000 2.154 232 E HA -0.264 4.086 4.350 -0.001 0.000 0.280 232 E C 0.578 177.176 176.600 -0.004 0.000 0.846 232 E CA 0.899 57.286 56.400 -0.022 0.000 1.446 232 E CB -1.124 28.566 29.700 -0.018 0.000 0.784 232 E HN 0.425 nan 8.360 nan 0.000 0.585 233 R N 2.202 122.701 120.500 -0.003 0.000 3.150 233 R HA -0.096 4.244 4.340 -0.001 0.000 0.279 233 R C 0.969 177.265 176.300 -0.007 0.000 0.742 233 R CA 1.092 57.189 56.100 -0.005 0.000 1.080 233 R CB -0.425 29.870 30.300 -0.007 0.000 0.918 233 R HN 0.464 nan 8.270 nan 0.000 0.386 234 E N 2.323 122.515 120.200 -0.014 0.000 2.140 234 E HA -0.053 4.297 4.350 -0.001 0.000 0.191 234 E C 1.365 177.931 176.600 -0.057 0.000 0.973 234 E CA 0.389 56.774 56.400 -0.025 0.000 0.829 234 E CB -0.041 29.638 29.700 -0.034 0.000 0.781 234 E HN 0.506 nan 8.360 nan 0.000 0.466 235 L N 1.195 122.377 121.223 -0.069 0.000 1.952 235 L HA -0.236 4.104 4.340 -0.001 0.000 0.231 235 L C 1.530 178.368 176.870 -0.054 0.000 1.088 235 L CA 1.310 56.105 54.840 -0.075 0.000 0.802 235 L CB -0.370 41.647 42.059 -0.069 0.000 0.903 235 L HN 0.071 nan 8.230 nan 0.000 0.439 236 E N -0.097 120.080 120.200 -0.038 0.000 2.778 236 E HA -0.087 4.263 4.350 -0.001 0.000 0.318 236 E C 0.598 177.187 176.600 -0.018 0.000 1.309 236 E CA 0.168 56.551 56.400 -0.028 0.000 1.419 236 E CB 0.077 29.764 29.700 -0.021 0.000 1.150 236 E HN 0.255 nan 8.360 nan 0.000 0.492 237 Q N -0.210 119.576 119.800 -0.023 0.000 2.353 237 Q HA 0.170 4.509 4.340 -0.001 0.000 0.226 237 Q C 1.669 177.657 176.000 -0.019 0.000 0.741 237 Q CA 0.031 55.827 55.803 -0.012 0.000 0.934 237 Q CB -0.060 28.676 28.738 -0.003 0.000 1.292 237 Q HN 0.408 nan 8.270 nan 0.000 0.481 238 I N 1.303 121.851 120.570 -0.036 0.000 2.179 238 I HA -0.154 4.016 4.170 -0.001 0.000 0.242 238 I C 1.419 177.515 176.117 -0.035 0.000 1.088 238 I CA 1.412 62.687 61.300 -0.042 0.000 1.357 238 I CB 0.048 38.008 38.000 -0.065 0.000 1.051 238 I HN 0.045 nan 8.210 nan 0.000 0.409 239 A N -0.900 121.898 122.820 -0.036 0.000 2.412 239 A HA 0.011 4.331 4.320 -0.001 0.000 0.253 239 A C 0.551 178.121 177.584 -0.023 0.000 1.334 239 A CA 0.577 52.596 52.037 -0.031 0.000 0.929 239 A CB -0.274 18.705 19.000 -0.035 0.000 0.983 239 A HN 0.493 nan 8.150 nan 0.000 0.508 240 D N -0.752 119.637 120.400 -0.018 0.000 4.220 240 D HA -0.060 4.580 4.640 -0.001 0.000 0.196 240 D C -0.001 176.294 176.300 -0.007 0.000 0.597 240 D CA -0.198 53.794 54.000 -0.012 0.000 0.671 240 D CB -0.467 40.326 40.800 -0.011 0.000 1.694 240 D HN 0.516 nan 8.370 nan 0.000 0.159 241 R N 0.840 121.336 120.500 -0.006 0.000 3.463 241 R HA -0.066 4.274 4.340 -0.001 0.000 0.150 241 R C -0.162 176.139 176.300 0.002 0.000 0.738 241 R CA 1.632 57.732 56.100 0.000 0.000 0.847 241 R CB -0.367 29.932 30.300 -0.001 0.000 1.077 241 R HN 0.156 nan 8.270 nan 0.000 0.301 242 G N 1.418 110.224 108.800 0.011 0.000 3.013 242 G HA2 0.215 4.175 3.960 -0.001 0.000 0.278 242 G HA3 0.215 4.175 3.960 -0.001 0.000 0.278 242 G C 0.474 175.377 174.900 0.005 0.000 1.353 242 G CA 0.068 45.173 45.100 0.008 0.000 1.043 242 G HN 0.594 nan 8.290 nan 0.000 0.523 243 T N -0.364 114.175 114.554 -0.025 0.000 2.848 243 T HA -0.110 4.240 4.350 -0.001 0.000 0.269 243 T C 2.258 176.970 174.700 0.019 0.000 1.081 243 T CA 2.459 64.517 62.100 -0.069 0.000 1.125 243 T CB -0.632 68.099 68.868 -0.228 0.000 0.848 243 T HN 0.739 nan 8.240 nan 0.000 0.503 244 A N 1.574 124.447 122.820 0.088 0.000 2.037 244 A HA 0.256 4.576 4.320 -0.001 0.000 0.200 244 A C 2.729 180.370 177.584 0.095 0.000 1.230 244 A CA 1.927 54.053 52.037 0.149 0.000 0.695 244 A CB -1.707 17.362 19.000 0.115 0.000 0.883 244 A HN 0.712 nan 8.150 nan 0.000 0.502 245 A N -0.926 121.933 122.820 0.066 0.000 2.023 245 A HA -0.280 4.040 4.320 -0.001 0.000 0.223 245 A C 1.866 179.480 177.584 0.050 0.000 1.180 245 A CA 2.317 54.389 52.037 0.057 0.000 0.659 245 A CB -0.789 18.233 19.000 0.037 0.000 0.817 245 A HN 0.738 nan 8.150 nan 0.000 0.466 246 E N -0.895 119.322 120.200 0.029 0.000 1.997 246 E HA -0.144 4.205 4.350 -0.001 0.000 0.196 246 E C 2.197 178.792 176.600 -0.008 0.000 0.990 246 E CA 0.757 57.156 56.400 -0.001 0.000 0.845 246 E CB -0.276 29.409 29.700 -0.025 0.000 0.795 246 E HN 0.534 nan 8.360 nan 0.000 0.479 247 R N 0.785 121.278 120.500 -0.011 0.000 2.208 247 R HA -0.280 4.060 4.340 -0.001 0.000 0.262 247 R C 2.174 178.496 176.300 0.036 0.000 1.166 247 R CA 1.107 57.201 56.100 -0.009 0.000 0.987 247 R CB -0.740 29.596 30.300 0.060 0.000 0.887 247 R HN 0.184 nan 8.270 nan 0.000 0.459 248 A N 1.574 124.445 122.820 0.085 0.000 2.240 248 A HA -0.175 4.145 4.320 -0.001 0.000 0.199 248 A C 2.386 180.115 177.584 0.242 0.000 1.172 248 A CA 1.899 54.025 52.037 0.149 0.000 0.807 248 A CB -1.373 17.712 19.000 0.140 0.000 0.830 248 A HN 0.409 nan 8.150 nan 0.000 0.527 249 A N -1.149 121.808 122.820 0.228 0.000 2.054 249 A HA -0.197 4.122 4.320 -0.001 0.000 0.223 249 A C 2.168 179.868 177.584 0.193 0.000 1.169 249 A CA 1.952 54.151 52.037 0.270 0.000 0.655 249 A CB -0.813 18.266 19.000 0.132 0.000 0.812 249 A HN 0.615 nan 8.150 nan 0.000 0.462 250 L N -1.939 119.288 121.223 0.007 0.000 2.079 250 L HA -0.182 4.158 4.340 -0.001 0.000 0.210 250 L C 2.426 179.116 176.870 -0.300 0.000 1.081 250 L CA 1.891 56.550 54.840 -0.302 0.000 0.752 250 L CB -0.359 41.427 42.059 -0.456 0.000 0.896 250 L HN 0.632 nan 8.230 nan 0.000 0.433 251 F N -0.559 119.265 119.950 -0.211 0.000 2.102 251 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 251 F C 1.815 177.519 175.800 -0.159 0.000 1.105 251 F CA 1.371 59.251 58.000 -0.200 0.000 1.239 251 F CB -0.697 38.096 39.000 -0.346 0.000 0.991 251 F HN 0.013 nan 8.300 nan 0.000 0.474 252 W N 0.692 122.174 121.300 0.303 0.000 2.388 252 W HA 0.005 4.665 4.660 -0.001 0.000 0.294 252 W C 2.796 179.375 176.519 0.100 0.000 1.212 252 W CA 1.314 58.766 57.345 0.177 0.000 1.271 252 W CB -0.582 29.053 29.460 0.292 0.000 1.126 252 W HN -0.075 nan 8.180 nan 0.000 0.535 253 R N -0.428 120.236 120.500 0.274 0.000 2.092 253 R HA -0.146 4.193 4.340 -0.001 0.000 0.231 253 R C 1.484 177.950 176.300 0.276 0.000 1.119 253 R CA 1.369 57.619 56.100 0.251 0.000 0.970 253 R CB -0.546 29.840 30.300 0.144 0.000 0.864 253 R HN 0.118 nan 8.270 nan 0.000 0.440 254 W N 0.259 121.559 121.300 0.001 0.000 3.204 254 W HA 0.105 4.764 4.660 -0.001 0.000 0.249 254 W C 0.912 177.323 176.519 -0.181 0.000 1.322 254 W CA 0.339 57.637 57.345 -0.079 0.000 1.593 254 W CB 0.007 29.407 29.460 -0.099 0.000 1.122 254 W HN 0.154 nan 8.180 nan 0.000 0.710 255 T N -1.057 113.501 114.554 0.007 0.000 3.321 255 T HA 0.001 4.351 4.350 -0.001 0.000 0.251 255 T C 1.761 176.491 174.700 0.050 0.000 0.999 255 T CA 0.698 62.717 62.100 -0.135 0.000 1.186 255 T CB -0.118 68.398 68.868 -0.587 0.000 1.163 255 T HN 0.026 nan 8.240 nan 0.000 0.399 256 M N 0.183 119.911 119.600 0.212 0.000 2.510 256 M HA 0.515 4.995 4.480 -0.001 0.000 0.256 256 M C 1.612 178.056 176.300 0.239 0.000 1.132 256 M CA 1.294 56.764 55.300 0.283 0.000 1.105 256 M CB 0.577 33.453 32.600 0.460 0.000 1.375 256 M HN 0.447 nan 8.290 nan 0.000 0.477 257 G N 1.015 109.977 108.800 0.269 0.000 2.421 257 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.188 257 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.188 257 G C 0.150 175.219 174.900 0.281 0.000 1.001 257 G CA -0.059 45.127 45.100 0.143 0.000 0.693 257 G HN 0.694 nan 8.290 nan 0.000 0.479 258 F N -0.404 119.649 119.950 0.172 0.000 4.279 258 F HA 0.648 5.175 4.527 -0.000 0.000 0.335 258 F C -0.390 175.538 175.800 0.213 0.000 1.051 258 F CA -0.387 57.714 58.000 0.169 0.000 0.842 258 F CB 0.284 39.374 39.000 0.150 0.000 1.848 258 F HN 0.703 nan 8.300 nan 0.000 0.507 259 N N 1.140 119.841 118.700 0.001 0.000 3.352 259 N HA 0.615 5.355 4.740 -0.001 0.000 0.325 259 N C -2.055 173.368 175.510 -0.144 0.000 1.375 259 N CA -0.314 52.686 53.050 -0.083 0.000 0.842 259 N CB 1.097 39.660 38.487 0.126 0.000 1.810 259 N HN 1.155 nan 8.380 nan 0.000 0.418 260 A N -1.125 121.675 122.820 -0.032 0.000 2.532 260 A HA 0.829 5.148 4.320 -0.001 0.000 0.290 260 A C 0.282 177.860 177.584 -0.010 0.000 1.143 260 A CA -0.029 51.978 52.037 -0.050 0.000 0.728 260 A CB 0.679 19.689 19.000 0.017 0.000 1.317 260 A HN 1.177 nan 8.150 nan 0.000 0.414 261 T N -1.800 112.731 114.554 -0.038 0.000 3.225 261 T HA 0.331 4.680 4.350 -0.001 0.000 0.347 261 T C 1.225 175.937 174.700 0.020 0.000 1.254 261 T CA 1.083 63.177 62.100 -0.010 0.000 0.950 261 T CB 0.004 68.853 68.868 -0.032 0.000 1.873 261 T HN 0.484 nan 8.240 nan 0.000 0.563 262 M N 0.012 119.619 119.600 0.012 0.000 2.369 262 M HA 0.282 4.762 4.480 -0.001 0.000 0.254 262 M C 2.380 178.678 176.300 -0.004 0.000 1.136 262 M CA 1.260 56.577 55.300 0.028 0.000 1.190 262 M CB -1.042 31.561 32.600 0.003 0.000 1.289 262 M HN 0.821 nan 8.290 nan 0.000 0.468 263 E N -0.374 119.799 120.200 -0.045 0.000 2.049 263 E HA -0.209 4.141 4.350 -0.001 0.000 0.198 263 E C 1.748 178.330 176.600 -0.031 0.000 1.007 263 E CA 1.752 58.113 56.400 -0.065 0.000 0.809 263 E CB -0.574 29.090 29.700 -0.060 0.000 0.749 263 E HN 0.606 nan 8.360 nan 0.000 0.450 264 G N 1.936 110.701 108.800 -0.058 0.000 2.679 264 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.217 264 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.217 264 G C 1.544 176.401 174.900 -0.071 0.000 1.267 264 G CA 1.218 46.241 45.100 -0.128 0.000 0.799 264 G HN 0.394 nan 8.290 nan 0.000 0.606 265 I N 1.041 121.623 120.570 0.021 0.000 2.247 265 I HA -0.350 3.820 4.170 -0.001 0.000 0.249 265 I C 2.334 178.536 176.117 0.143 0.000 1.027 265 I CA 2.092 63.513 61.300 0.201 0.000 1.316 265 I CB -0.686 37.415 38.000 0.169 0.000 1.007 265 I HN 0.370 nan 8.210 nan 0.000 0.430 266 H N 0.025 119.055 119.070 -0.066 0.000 2.268 266 H HA 0.039 4.595 4.556 -0.001 0.000 0.304 266 H C 2.361 177.686 175.328 -0.004 0.000 1.064 266 H CA 1.888 57.870 56.048 -0.111 0.000 1.316 266 H CB -0.347 29.338 29.762 -0.129 0.000 1.386 266 H HN 0.229 nan 8.280 nan 0.000 0.496 267 R N -0.405 120.185 120.500 0.151 0.000 2.276 267 R HA -0.223 4.117 4.340 -0.001 0.000 0.243 267 R C 1.550 178.005 176.300 0.258 0.000 1.161 267 R CA 1.064 57.264 56.100 0.167 0.000 1.007 267 R CB -0.314 30.061 30.300 0.126 0.000 0.867 267 R HN 0.446 nan 8.270 nan 0.000 0.472 268 W N -0.053 121.265 121.300 0.030 0.000 1.921 268 W HA -0.211 4.448 4.660 -0.001 0.000 0.294 268 W C 2.432 178.952 176.519 0.001 0.000 0.989 268 W CA 0.605 57.951 57.345 0.001 0.000 1.049 268 W CB -0.445 28.956 29.460 -0.098 0.000 1.151 268 W HN 0.100 nan 8.180 nan 0.000 0.484 269 A N 0.421 123.364 122.820 0.205 0.000 2.042 269 A HA -0.295 4.024 4.320 -0.001 0.000 0.222 269 A C 1.851 179.426 177.584 -0.014 0.000 1.167 269 A CA 1.859 53.899 52.037 0.005 0.000 0.649 269 A CB -1.093 17.802 19.000 -0.174 0.000 0.809 269 A HN 0.499 nan 8.150 nan 0.000 0.457 270 I N -1.373 119.175 120.570 -0.037 0.000 2.113 270 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 270 I C 2.137 178.148 176.117 -0.176 0.000 1.064 270 I CA 1.979 63.195 61.300 -0.141 0.000 1.320 270 I CB -0.914 36.978 38.000 -0.181 0.000 1.028 270 I HN 0.634 nan 8.210 nan 0.000 0.406 271 W N 0.314 121.601 121.300 -0.021 0.000 2.378 271 W HA -0.252 4.408 4.660 -0.000 0.000 0.313 271 W C 2.623 179.027 176.519 -0.191 0.000 1.197 271 W CA 1.513 58.815 57.345 -0.073 0.000 1.304 271 W CB -0.830 28.618 29.460 -0.021 0.000 1.148 271 W HN 0.168 nan 8.180 nan 0.000 0.494 272 M N 1.463 121.120 119.600 0.095 0.000 2.240 272 M HA -0.373 4.107 4.480 -0.001 0.000 0.250 272 M C 1.795 177.941 176.300 -0.257 0.000 1.075 272 M CA 2.794 58.052 55.300 -0.069 0.000 1.072 272 M CB -1.054 31.586 32.600 0.066 0.000 1.305 272 M HN 0.010 nan 8.290 nan 0.000 0.414 273 A N -1.209 121.543 122.820 -0.114 0.000 1.831 273 A HA 0.002 4.321 4.320 -0.001 0.000 0.213 273 A C 2.103 179.621 177.584 -0.109 0.000 1.223 273 A CA 1.637 53.630 52.037 -0.072 0.000 0.604 273 A CB -1.316 17.675 19.000 -0.015 0.000 0.878 273 A HN 0.415 nan 8.150 nan 0.000 0.450 274 V N 0.728 120.581 119.914 -0.102 0.000 2.409 274 V HA -0.325 3.794 4.120 -0.001 0.000 0.261 274 V C 2.283 178.360 176.094 -0.028 0.000 1.099 274 V CA 2.173 64.436 62.300 -0.063 0.000 1.100 274 V CB -0.940 30.793 31.823 -0.151 0.000 0.677 274 V HN 0.548 nan 8.190 nan 0.000 0.460 275 L N -0.788 120.326 121.223 -0.181 0.000 2.610 275 L HA -0.026 4.314 4.340 -0.001 0.000 0.232 275 L C 1.918 178.784 176.870 -0.007 0.000 1.149 275 L CA 0.188 54.882 54.840 -0.243 0.000 0.872 275 L CB -0.425 41.053 42.059 -0.967 0.000 0.992 275 L HN 0.242 nan 8.230 nan 0.000 0.447 276 V N -1.433 118.511 119.914 0.051 0.000 2.685 276 V HA -0.119 4.001 4.120 -0.001 0.000 0.244 276 V C 2.479 178.681 176.094 0.179 0.000 1.054 276 V CA 1.789 64.210 62.300 0.202 0.000 1.076 276 V CB -0.463 31.464 31.823 0.174 0.000 0.725 276 V HN 0.576 nan 8.190 nan 0.000 0.467 277 T N -2.083 112.570 114.554 0.165 0.000 3.113 277 T HA 0.067 4.417 4.350 -0.001 0.000 0.256 277 T C 1.619 176.510 174.700 0.318 0.000 1.131 277 T CA 0.623 62.840 62.100 0.195 0.000 1.074 277 T CB 0.148 69.142 68.868 0.209 0.000 0.944 277 T HN 0.227 nan 8.240 nan 0.000 0.516 278 L N 2.351 123.780 121.223 0.344 0.000 2.189 278 L HA 0.166 4.505 4.340 -0.001 0.000 0.199 278 L C 2.853 179.986 176.870 0.437 0.000 1.074 278 L CA 1.978 57.134 54.840 0.527 0.000 0.783 278 L CB -0.903 41.333 42.059 0.295 0.000 0.955 278 L HN 0.468 nan 8.230 nan 0.000 0.460 279 T N -3.414 111.356 114.554 0.360 0.000 2.746 279 T HA -0.074 4.275 4.350 -0.001 0.000 0.267 279 T C 1.914 176.728 174.700 0.190 0.000 1.039 279 T CA 0.999 63.344 62.100 0.409 0.000 1.142 279 T CB -1.332 67.869 68.868 0.555 0.000 0.866 279 T HN 0.330 nan 8.240 nan 0.000 0.444 280 G N 1.578 110.467 108.800 0.148 0.000 2.484 280 G HA2 0.087 4.046 3.960 -0.001 0.000 0.215 280 G HA3 0.087 4.046 3.960 -0.001 0.000 0.215 280 G C 1.844 176.645 174.900 -0.164 0.000 1.219 280 G CA 0.773 45.884 45.100 0.018 0.000 0.791 280 G HN 0.675 nan 8.290 nan 0.000 0.550 281 G N 0.880 109.536 108.800 -0.239 0.000 2.656 281 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.223 281 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.223 281 G C 1.636 176.078 174.900 -0.763 0.000 1.130 281 G CA 1.306 45.916 45.100 -0.817 0.000 0.758 281 G HN 0.351 nan 8.290 nan 0.000 0.608 282 I N 1.197 121.542 120.570 -0.375 0.000 2.188 282 I HA 0.004 4.173 4.170 -0.001 0.000 0.237 282 I C 3.202 178.973 176.117 -0.578 0.000 1.073 282 I CA 1.295 62.344 61.300 -0.418 0.000 1.359 282 I CB -1.745 35.912 38.000 -0.572 0.000 1.083 282 I HN 0.270 nan 8.210 nan 0.000 0.412 283 G N 2.170 110.508 108.800 -0.770 0.000 2.817 283 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.226 283 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.226 283 G C 1.475 176.275 174.900 -0.167 0.000 1.115 283 G CA 1.293 46.184 45.100 -0.349 0.000 0.750 283 G HN 0.298 nan 8.290 nan 0.000 0.637 284 I N -0.099 120.353 120.570 -0.196 0.000 3.035 284 I HA 0.133 4.303 4.170 -0.001 0.000 0.271 284 I C 2.304 178.385 176.117 -0.059 0.000 1.190 284 I CA 0.127 61.349 61.300 -0.129 0.000 1.472 284 I CB -0.761 37.119 38.000 -0.200 0.000 1.116 284 I HN 0.151 nan 8.210 nan 0.000 0.443 285 L N 1.042 122.180 121.223 -0.141 0.000 2.447 285 L HA -0.112 4.227 4.340 -0.001 0.000 0.225 285 L C 1.976 178.864 176.870 0.030 0.000 1.148 285 L CA 1.673 56.463 54.840 -0.083 0.000 0.808 285 L CB -0.624 41.348 42.059 -0.145 0.000 0.928 285 L HN 0.140 nan 8.230 nan 0.000 0.448 286 L N -2.016 119.262 121.223 0.092 0.000 2.200 286 L HA 0.096 4.436 4.340 -0.001 0.000 0.200 286 L C 1.203 178.241 176.870 0.281 0.000 1.072 286 L CA 0.081 55.031 54.840 0.183 0.000 0.787 286 L CB -0.513 41.703 42.059 0.261 0.000 0.957 286 L HN -0.074 nan 8.230 nan 0.000 0.459 287 S N 1.129 117.068 115.700 0.399 0.000 2.711 287 S HA 0.310 4.779 4.470 -0.001 0.000 0.335 287 S C 0.919 175.771 174.600 0.419 0.000 1.175 287 S CA 0.731 59.243 58.200 0.520 0.000 1.372 287 S CB -0.176 63.200 63.200 0.293 0.000 1.337 287 S HN 0.611 nan 8.310 nan 0.000 0.572 288 G N 2.000 110.977 108.800 0.294 0.000 2.613 288 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.199 288 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.199 288 G C 0.373 175.327 174.900 0.091 0.000 0.991 288 G CA 0.062 45.264 45.100 0.171 0.000 0.756 288 G HN 0.715 nan 8.290 nan 0.000 0.515 289 T N -1.466 113.145 114.554 0.095 0.000 3.328 289 T HA 0.415 4.764 4.350 -0.001 0.000 0.297 289 T C 0.803 175.532 174.700 0.049 0.000 0.882 289 T CA 0.797 62.929 62.100 0.054 0.000 0.906 289 T CB 0.679 69.573 68.868 0.044 0.000 1.210 289 T HN 0.675 nan 8.240 nan 0.000 0.631 290 V N 0.117 120.067 119.914 0.060 0.000 3.356 290 V HA 0.372 4.492 4.120 -0.001 0.000 0.274 290 V C -0.460 175.633 176.094 -0.002 0.000 1.631 290 V CA -0.135 62.186 62.300 0.036 0.000 1.025 290 V CB 1.742 33.590 31.823 0.042 0.000 0.840 290 V HN 0.278 nan 8.190 nan 0.000 0.419 291 V N 0.601 120.520 119.914 0.009 0.000 2.707 291 V HA 0.324 4.443 4.120 -0.001 0.000 0.271 291 V C -0.095 176.029 176.094 0.049 0.000 1.013 291 V CA -0.382 61.873 62.300 -0.075 0.000 0.908 291 V CB 1.526 33.084 31.823 -0.443 0.000 1.051 291 V HN 0.204 nan 8.190 nan 0.000 0.476 292 D N 3.079 123.489 120.400 0.018 0.000 2.371 292 D HA 0.035 4.675 4.640 -0.001 0.000 0.234 292 D C 0.479 176.782 176.300 0.005 0.000 1.049 292 D CA 0.797 54.796 54.000 -0.001 0.000 0.907 292 D CB 0.347 41.127 40.800 -0.034 0.000 0.891 292 D HN 0.608 nan 8.370 nan 0.000 0.531 293 N N -0.842 117.906 118.700 0.080 0.000 3.997 293 N HA -0.086 4.654 4.740 -0.001 0.000 0.209 293 N C -0.999 174.623 175.510 0.186 0.000 1.108 293 N CA -0.411 52.730 53.050 0.152 0.000 1.020 293 N CB -0.119 38.406 38.487 0.064 0.000 1.628 293 N HN -0.208 nan 8.380 nan 0.000 0.588 294 W N 1.147 122.515 121.300 0.113 0.000 2.907 294 W HA 0.284 4.943 4.660 -0.001 0.000 0.271 294 W C 1.448 178.088 176.519 0.201 0.000 1.253 294 W CA 0.089 57.534 57.345 0.166 0.000 1.501 294 W CB -0.245 29.313 29.460 0.164 0.000 1.047 294 W HN 0.634 nan 8.180 nan 0.000 0.610 295 Y N 0.714 121.086 120.300 0.120 0.000 2.571 295 Y HA -0.068 4.482 4.550 -0.001 0.000 0.294 295 Y C 1.841 177.702 175.900 -0.064 0.000 1.141 295 Y CA 0.243 58.279 58.100 -0.107 0.000 1.308 295 Y CB -0.696 37.636 38.460 -0.214 0.000 1.002 295 Y HN -0.240 nan 8.280 nan 0.000 0.551 296 V N -0.985 118.950 119.914 0.035 0.000 2.220 296 V HA -0.366 3.754 4.120 -0.001 0.000 0.242 296 V C 1.911 177.942 176.094 -0.104 0.000 1.041 296 V CA 2.240 64.494 62.300 -0.077 0.000 0.990 296 V CB -1.239 30.570 31.823 -0.022 0.000 0.634 296 V HN 0.536 nan 8.190 nan 0.000 0.452 297 W N 1.079 122.244 121.300 -0.225 0.000 2.401 297 W HA -0.137 4.523 4.660 -0.000 0.000 0.264 297 W C 2.177 178.511 176.519 -0.309 0.000 1.209 297 W CA 1.391 58.569 57.345 -0.279 0.000 1.170 297 W CB -0.518 28.715 29.460 -0.378 0.000 1.134 297 W HN 0.384 nan 8.180 nan 0.000 0.587 298 G N -1.386 107.415 108.800 0.002 0.000 2.464 298 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.217 298 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.217 298 G C 1.409 176.190 174.900 -0.198 0.000 1.138 298 G CA 0.754 45.854 45.100 0.000 0.000 0.793 298 G HN 0.220 nan 8.290 nan 0.000 0.539 299 Q N 0.228 119.854 119.800 -0.291 0.000 2.387 299 Q HA 0.113 4.453 4.340 -0.001 0.000 0.208 299 Q C 2.171 178.067 176.000 -0.174 0.000 0.935 299 Q CA 0.250 55.933 55.803 -0.201 0.000 0.891 299 Q CB -0.592 27.988 28.738 -0.264 0.000 1.007 299 Q HN 0.225 nan 8.270 nan 0.000 0.548 300 N N 1.337 119.843 118.700 -0.323 0.000 2.022 300 N HA -0.154 4.586 4.740 -0.001 0.000 0.194 300 N C -0.089 175.160 175.510 -0.434 0.000 1.057 300 N CA 1.437 54.268 53.050 -0.364 0.000 0.849 300 N CB -0.348 37.877 38.487 -0.436 0.000 1.044 300 N HN 0.394 nan 8.380 nan 0.000 0.424 301 H N -2.523 115.952 119.070 -0.992 0.000 2.969 301 H HA -0.014 4.542 4.556 -0.000 0.000 0.269 301 H C 0.495 175.205 175.328 -1.031 0.000 1.230 301 H CA 0.722 56.006 56.048 -1.273 0.000 1.123 301 H CB -1.333 28.107 29.762 -0.537 0.000 1.289 301 H HN 0.527 nan 8.280 nan 0.000 0.364 302 G N 0.000 108.242 108.800 -0.930 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 302 G CA 0.000 44.871 45.100 -0.381 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925