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 2hg9_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.613 177.584 0.048 0.000 1.274 1 A CA 0.000 52.057 52.037 0.033 0.000 0.836 1 A CB 0.000 19.020 19.000 0.034 0.000 0.831 2 E N 0.694 120.917 120.200 0.037 0.000 2.481 2 E HA 0.042 4.392 4.350 -0.000 0.000 0.263 2 E C -0.623 176.028 176.600 0.084 0.000 0.992 2 E CA 0.503 56.934 56.400 0.051 0.000 0.938 2 E CB 0.315 30.023 29.700 0.012 0.000 0.933 2 E HN 0.630 nan 8.360 nan 0.000 0.453 3 Y N 3.112 123.407 120.300 -0.009 0.000 2.526 3 Y HA -0.051 4.499 4.550 -0.000 0.000 0.330 3 Y C 0.843 176.733 175.900 -0.015 0.000 1.156 3 Y CA 0.205 58.304 58.100 -0.002 0.000 1.419 3 Y CB 0.624 39.084 38.460 0.001 0.000 1.250 3 Y HN 0.312 nan 8.280 nan 0.000 0.540 4 Q N 4.032 123.489 119.800 -0.572 0.000 2.319 4 Q HA 0.003 4.343 4.340 -0.000 0.000 0.202 4 Q C 0.395 175.967 176.000 -0.714 0.000 0.896 4 Q CA 0.395 55.888 55.803 -0.517 0.000 0.942 4 Q CB -0.214 28.368 28.738 -0.259 0.000 1.083 4 Q HN 0.904 nan 8.270 nan 0.000 0.510 5 N N 0.221 118.098 118.700 -1.372 0.000 2.741 5 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 5 N C 0.341 175.635 175.510 -0.361 0.000 1.115 5 N CA 0.358 52.949 53.050 -0.765 0.000 0.724 5 N CB -0.797 37.432 38.487 -0.429 0.000 1.090 5 N HN 0.182 nan 8.380 nan 0.000 0.558 6 I N -1.463 118.894 120.570 -0.356 0.000 2.480 6 I HA 0.063 4.233 4.170 -0.000 0.000 0.251 6 I C 0.735 176.547 176.117 -0.508 0.000 1.124 6 I CA 1.079 62.118 61.300 -0.435 0.000 1.444 6 I CB -0.633 37.048 38.000 -0.532 0.000 1.098 6 I HN 0.009 nan 8.210 nan 0.000 0.428 7 F N 0.139 120.196 119.950 0.178 0.000 2.561 7 F HA 0.429 4.956 4.527 -0.000 0.000 0.321 7 F C 0.854 176.882 175.800 0.380 0.000 1.065 7 F CA -0.978 57.204 58.000 0.302 0.000 0.934 7 F CB 1.070 40.229 39.000 0.264 0.000 1.215 7 F HN -0.343 nan 8.300 nan 0.000 0.471 8 S N 1.154 117.225 115.700 0.619 0.000 2.580 8 S HA 0.127 4.597 4.470 -0.000 0.000 0.274 8 S C 0.852 175.742 174.600 0.484 0.000 1.329 8 S CA -0.582 57.906 58.200 0.479 0.000 1.036 8 S CB 1.194 64.596 63.200 0.336 0.000 0.919 8 S HN 0.674 nan 8.310 nan 0.000 0.515 9 Q N 0.578 120.509 119.800 0.217 0.000 2.123 9 Q HA 0.093 4.433 4.340 -0.000 0.000 0.196 9 Q C -0.211 175.930 176.000 0.235 0.000 0.958 9 Q CA 0.820 56.700 55.803 0.128 0.000 0.841 9 Q CB 0.167 28.803 28.738 -0.171 0.000 0.915 9 Q HN 0.464 nan 8.270 nan 0.000 0.455 10 V N 1.277 121.274 119.914 0.138 0.000 2.638 10 V HA 0.247 4.367 4.120 -0.000 0.000 0.306 10 V C -0.768 175.329 176.094 0.005 0.000 1.052 10 V CA -0.834 61.518 62.300 0.087 0.000 0.885 10 V CB 1.891 33.727 31.823 0.022 0.000 0.999 10 V HN 0.118 nan 8.190 nan 0.000 0.424 11 Q N 2.298 122.040 119.800 -0.096 0.000 2.241 11 Q HA 0.727 5.067 4.340 -0.000 0.000 0.254 11 Q C -0.671 175.260 176.000 -0.115 0.000 0.917 11 Q CA -0.647 55.057 55.803 -0.166 0.000 0.919 11 Q CB 2.522 31.046 28.738 -0.358 0.000 1.237 11 Q HN 0.784 nan 8.270 nan 0.000 0.434 12 V N -0.287 119.573 119.914 -0.090 0.000 2.715 12 V HA 0.776 4.896 4.120 -0.000 0.000 0.310 12 V C -0.678 175.360 176.094 -0.094 0.000 1.054 12 V CA -1.054 61.198 62.300 -0.081 0.000 0.928 12 V CB 1.969 33.760 31.823 -0.054 0.000 1.007 12 V HN 0.815 nan 8.190 nan 0.000 0.437 13 R N 1.364 121.793 120.500 -0.117 0.000 2.725 13 R HA 0.803 5.143 4.340 -0.000 0.000 0.277 13 R C -0.234 175.979 176.300 -0.144 0.000 0.987 13 R CA 0.058 56.064 56.100 -0.156 0.000 0.901 13 R CB 2.266 32.397 30.300 -0.280 0.000 1.207 13 R HN 1.189 nan 8.270 nan 0.000 0.463 14 G N 2.091 110.817 108.800 -0.123 0.000 3.140 14 G HA2 0.576 4.536 3.960 -0.000 0.000 0.271 14 G HA3 0.576 4.536 3.960 -0.000 0.000 0.271 14 G C -2.580 172.268 174.900 -0.087 0.000 1.370 14 G CA -1.238 43.809 45.100 -0.088 0.000 1.014 14 G HN 0.470 nan 8.290 nan 0.000 0.541 15 P HA 0.378 nan 4.420 nan 0.000 0.267 15 P C 0.168 177.521 177.300 0.088 0.000 1.200 15 P CA -0.067 63.035 63.100 0.004 0.000 0.772 15 P CB 0.510 32.215 31.700 0.007 0.000 0.855 16 A N 2.059 124.986 122.820 0.177 0.000 2.567 16 A HA 0.023 4.343 4.320 -0.000 0.000 0.240 16 A C 0.422 178.078 177.584 0.119 0.000 1.053 16 A CA 0.263 52.456 52.037 0.260 0.000 0.755 16 A CB -0.420 18.716 19.000 0.227 0.000 0.978 16 A HN 0.527 nan 8.150 nan 0.000 0.507 17 D N 2.415 122.874 120.400 0.099 0.000 2.347 17 D HA 0.325 4.965 4.640 -0.000 0.000 0.235 17 D C 0.680 176.991 176.300 0.018 0.000 1.149 17 D CA -0.131 53.897 54.000 0.046 0.000 0.850 17 D CB 0.657 41.480 40.800 0.038 0.000 1.061 17 D HN 0.436 nan 8.370 nan 0.000 0.487 18 L N 2.911 124.143 121.223 0.014 0.000 2.558 18 L HA 0.275 4.615 4.340 -0.000 0.000 0.225 18 L C 1.366 178.235 176.870 -0.001 0.000 1.128 18 L CA 0.288 55.131 54.840 0.005 0.000 0.868 18 L CB -0.511 41.553 42.059 0.008 0.000 1.006 18 L HN 0.654 nan 8.230 nan 0.000 0.454 19 G N -0.079 108.719 108.800 -0.004 0.000 2.661 19 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.685 19 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.685 19 G C -0.481 174.409 174.900 -0.016 0.000 1.298 19 G CA -0.949 44.143 45.100 -0.014 0.000 0.855 19 G HN -0.170 nan 8.290 nan 0.000 0.560 20 M N 0.151 119.735 119.600 -0.027 0.000 2.228 20 M HA 0.383 4.863 4.480 -0.000 0.000 0.326 20 M C 1.636 177.917 176.300 -0.032 0.000 1.122 20 M CA 0.433 55.715 55.300 -0.031 0.000 1.161 20 M CB 0.385 32.960 32.600 -0.042 0.000 1.437 20 M HN 0.705 nan 8.290 nan 0.000 0.465 21 T N -0.550 113.987 114.554 -0.029 0.000 3.053 21 T HA 0.050 4.399 4.350 -0.000 0.000 0.236 21 T C 0.703 175.381 174.700 -0.036 0.000 0.996 21 T CA -0.011 62.075 62.100 -0.024 0.000 1.185 21 T CB 0.240 69.099 68.868 -0.015 0.000 0.892 21 T HN 0.577 nan 8.240 nan 0.000 0.432 22 E N 1.390 121.566 120.200 -0.038 0.000 3.498 22 E HA -0.241 4.109 4.350 -0.000 0.000 0.395 22 E C 0.217 176.793 176.600 -0.042 0.000 1.577 22 E CA 1.685 58.059 56.400 -0.044 0.000 1.700 22 E CB -1.135 28.528 29.700 -0.062 0.000 1.647 22 E HN 0.385 nan 8.360 nan 0.000 0.442 23 D N 0.880 121.247 120.400 -0.055 0.000 2.342 23 D HA 0.153 4.792 4.640 -0.000 0.000 0.221 23 D C -0.163 176.109 176.300 -0.047 0.000 1.101 23 D CA 0.083 54.055 54.000 -0.047 0.000 0.837 23 D CB 0.271 41.038 40.800 -0.053 0.000 0.938 23 D HN -0.065 nan 8.370 nan 0.000 0.508 24 V N 1.998 121.880 119.914 -0.052 0.000 2.572 24 V HA -0.036 4.084 4.120 -0.000 0.000 0.291 24 V C 0.853 176.979 176.094 0.053 0.000 1.039 24 V CA -0.586 61.690 62.300 -0.039 0.000 1.055 24 V CB 0.918 32.713 31.823 -0.047 0.000 0.969 24 V HN 0.068 nan 8.190 nan 0.000 0.482 25 N N 4.535 123.317 118.700 0.136 0.000 2.400 25 N HA 0.095 4.835 4.740 -0.000 0.000 0.267 25 N C 0.797 176.403 175.510 0.161 0.000 1.208 25 N CA 0.201 53.336 53.050 0.142 0.000 0.951 25 N CB 0.398 38.974 38.487 0.148 0.000 1.227 25 N HN 0.654 nan 8.380 nan 0.000 0.488 26 L N 2.354 123.622 121.223 0.075 0.000 2.362 26 L HA -0.090 4.250 4.340 -0.000 0.000 0.219 26 L C 2.081 178.944 176.870 -0.011 0.000 1.134 26 L CA 0.770 55.636 54.840 0.043 0.000 0.807 26 L CB -0.419 41.653 42.059 0.021 0.000 0.927 26 L HN 0.553 nan 8.230 nan 0.000 0.447 27 A N 0.538 123.342 122.820 -0.027 0.000 2.070 27 A HA -0.199 4.120 4.320 -0.000 0.000 0.220 27 A C 1.748 179.251 177.584 -0.135 0.000 1.159 27 A CA 1.681 53.680 52.037 -0.064 0.000 0.656 27 A CB -0.664 18.305 19.000 -0.052 0.000 0.800 27 A HN 0.577 nan 8.150 nan 0.000 0.453 28 N N -1.012 117.550 118.700 -0.230 0.000 2.270 28 N HA 0.085 4.825 4.740 -0.000 0.000 0.198 28 N C -0.059 175.167 175.510 -0.474 0.000 1.117 28 N CA -0.207 52.549 53.050 -0.489 0.000 0.845 28 N CB 0.322 38.231 38.487 -0.963 0.000 0.980 28 N HN 0.352 nan 8.380 nan 0.000 0.486 29 R N 1.196 121.575 120.500 -0.202 0.000 2.349 29 R HA 0.226 4.566 4.340 -0.000 0.000 0.299 29 R C 0.468 176.719 176.300 -0.081 0.000 1.027 29 R CA -0.390 55.655 56.100 -0.092 0.000 0.958 29 R CB 1.261 31.569 30.300 0.013 0.000 1.047 29 R HN 0.120 nan 8.270 nan 0.000 0.468 30 S N 1.177 116.837 115.700 -0.067 0.000 2.598 30 S HA 0.146 4.615 4.470 -0.000 0.000 0.256 30 S C 0.774 175.352 174.600 -0.035 0.000 1.350 30 S CA -0.493 57.676 58.200 -0.051 0.000 0.984 30 S CB 0.678 63.853 63.200 -0.042 0.000 0.930 30 S HN 0.675 nan 8.310 nan 0.000 0.577 31 G N -0.532 108.249 108.800 -0.031 0.000 2.616 31 G HA2 0.466 4.426 3.960 -0.000 0.000 0.268 31 G HA3 0.466 4.426 3.960 -0.000 0.000 0.268 31 G C 0.089 174.969 174.900 -0.033 0.000 1.213 31 G CA -0.481 44.605 45.100 -0.023 0.000 0.926 31 G HN 1.354 nan 8.290 nan 0.000 0.523 32 V N -0.421 119.472 119.914 -0.035 0.000 2.843 32 V HA 0.569 4.689 4.120 -0.000 0.000 0.305 32 V C 1.239 177.283 176.094 -0.084 0.000 1.065 32 V CA -0.263 61.992 62.300 -0.076 0.000 1.116 32 V CB 0.325 32.092 31.823 -0.094 0.000 0.968 32 V HN 0.917 nan 8.190 nan 0.000 0.487 33 G N 2.857 111.578 108.800 -0.132 0.000 2.508 33 G HA2 0.557 4.517 3.960 -0.000 0.000 0.278 33 G HA3 0.557 4.517 3.960 -0.000 0.000 0.278 33 G C -2.180 172.627 174.900 -0.155 0.000 1.389 33 G CA -1.029 44.002 45.100 -0.115 0.000 1.050 33 G HN 0.802 nan 8.290 nan 0.000 0.522 34 P HA 0.276 nan 4.420 nan 0.000 0.274 34 P C -1.143 176.065 177.300 -0.154 0.000 1.256 34 P CA -0.217 62.868 63.100 -0.025 0.000 0.795 34 P CB 0.682 32.394 31.700 0.020 0.000 1.038 35 F N -0.569 119.371 119.950 -0.016 0.000 2.422 35 F HA 0.328 4.855 4.527 -0.000 0.000 0.333 35 F C 1.229 177.013 175.800 -0.025 0.000 1.095 35 F CA -0.184 57.802 58.000 -0.025 0.000 1.038 35 F CB 1.433 40.411 39.000 -0.037 0.000 1.156 35 F HN 0.112 nan 8.300 nan 0.000 0.483 36 S N 1.591 117.362 115.700 0.119 0.000 2.601 36 S HA 0.207 4.677 4.470 -0.000 0.000 0.312 36 S C 0.774 175.393 174.600 0.031 0.000 1.107 36 S CA -0.564 57.676 58.200 0.067 0.000 1.129 36 S CB 0.552 63.778 63.200 0.043 0.000 0.982 36 S HN 0.724 nan 8.310 nan 0.000 0.469 37 T N 5.175 119.727 114.554 -0.003 0.000 2.822 37 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 37 T C 1.680 176.290 174.700 -0.149 0.000 1.064 37 T CA 1.622 63.638 62.100 -0.140 0.000 1.131 37 T CB -0.339 68.465 68.868 -0.106 0.000 0.858 37 T HN 0.573 nan 8.240 nan 0.000 0.483 38 L N 0.973 122.228 121.223 0.053 0.000 1.976 38 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 38 L C 2.201 179.179 176.870 0.181 0.000 1.071 38 L CA 1.658 56.612 54.840 0.191 0.000 0.746 38 L CB -0.806 41.344 42.059 0.151 0.000 0.890 38 L HN 0.232 nan 8.230 nan 0.000 0.432 39 L N -0.451 120.841 121.223 0.114 0.000 2.042 39 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 39 L C 2.488 179.452 176.870 0.156 0.000 1.076 39 L CA 1.354 56.283 54.840 0.148 0.000 0.749 39 L CB -1.405 40.715 42.059 0.101 0.000 0.893 39 L HN 0.530 nan 8.230 nan 0.000 0.432 40 G N -0.845 107.959 108.800 0.007 0.000 2.479 40 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 40 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 40 G C 1.086 175.917 174.900 -0.115 0.000 1.115 40 G CA 0.339 45.381 45.100 -0.095 0.000 0.757 40 G HN 0.459 nan 8.290 nan 0.000 0.560 41 W N -1.285 120.128 121.300 0.188 0.000 2.421 41 W HA 0.165 4.825 4.660 -0.000 0.000 0.270 41 W C 1.925 178.709 176.519 0.443 0.000 1.233 41 W CA 0.007 57.508 57.345 0.260 0.000 1.226 41 W CB -0.160 29.407 29.460 0.178 0.000 1.121 41 W HN 0.191 nan 8.180 nan 0.000 0.579 42 F N -1.250 118.935 119.950 0.392 0.000 2.577 42 F HA 0.437 4.964 4.527 -0.000 0.000 0.276 42 F C 1.462 177.348 175.800 0.143 0.000 1.032 42 F CA 1.088 59.272 58.000 0.306 0.000 1.297 42 F CB -0.269 38.923 39.000 0.319 0.000 1.061 42 F HN -0.254 nan 8.300 nan 0.000 0.680 43 G N -0.412 108.508 108.800 0.201 0.000 3.247 43 G HA2 0.220 4.180 3.960 -0.000 0.000 0.226 43 G HA3 0.220 4.180 3.960 -0.000 0.000 0.226 43 G C -1.229 173.707 174.900 0.059 0.000 1.220 43 G CA -0.791 44.344 45.100 0.058 0.000 0.875 43 G HN -0.061 nan 8.290 nan 0.000 0.606 44 N N 0.289 119.013 118.700 0.041 0.000 2.508 44 N HA 0.362 5.102 4.740 -0.000 0.000 0.264 44 N C 1.053 176.587 175.510 0.041 0.000 1.216 44 N CA 0.417 53.486 53.050 0.033 0.000 0.943 44 N CB 1.698 40.196 38.487 0.018 0.000 1.113 44 N HN 0.535 nan 8.380 nan 0.000 0.447 45 A N 1.657 124.512 122.820 0.059 0.000 2.081 45 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 45 A C 0.930 178.530 177.584 0.028 0.000 1.158 45 A CA 0.453 52.541 52.037 0.085 0.000 0.724 45 A CB -0.133 18.951 19.000 0.140 0.000 0.826 45 A HN 0.741 nan 8.150 nan 0.000 0.463 46 Q N 0.231 119.990 119.800 -0.069 0.000 2.286 46 Q HA 0.474 4.814 4.340 -0.000 0.000 0.257 46 Q C -1.578 174.241 176.000 -0.301 0.000 0.941 46 Q CA -0.353 55.185 55.803 -0.443 0.000 0.912 46 Q CB 0.525 29.039 28.738 -0.374 0.000 1.192 46 Q HN 0.316 nan 8.270 nan 0.000 0.410 47 L N 3.613 124.613 121.223 -0.373 0.000 2.325 47 L HA 0.652 4.992 4.340 -0.000 0.000 0.278 47 L C 0.523 177.268 176.870 -0.209 0.000 1.023 47 L CA 0.685 55.398 54.840 -0.213 0.000 0.811 47 L CB 1.684 43.649 42.059 -0.158 0.000 1.249 47 L HN 0.953 nan 8.230 nan 0.000 0.431 48 G N 3.164 111.891 108.800 -0.123 0.000 2.752 48 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.234 48 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.234 48 G C -2.732 172.111 174.900 -0.094 0.000 1.367 48 G CA -0.718 44.328 45.100 -0.090 0.000 0.879 48 G HN 0.534 nan 8.290 nan 0.000 0.563 49 P HA 0.487 nan 4.420 nan 0.000 0.271 49 P C -0.004 177.288 177.300 -0.014 0.000 1.233 49 P CA -0.237 62.841 63.100 -0.036 0.000 0.789 49 P CB 0.727 32.415 31.700 -0.021 0.000 0.951 50 I N 0.381 120.949 120.570 -0.002 0.000 2.693 50 I HA 0.379 4.549 4.170 -0.000 0.000 0.303 50 I C -0.981 175.164 176.117 0.047 0.000 1.025 50 I CA -1.417 59.900 61.300 0.028 0.000 1.086 50 I CB 1.536 39.553 38.000 0.028 0.000 1.268 50 I HN 0.212 nan 8.210 nan 0.000 0.440 51 Y N 7.317 127.583 120.300 -0.057 0.000 2.341 51 Y HA 0.525 5.075 4.550 -0.000 0.000 0.340 51 Y C -1.279 174.583 175.900 -0.064 0.000 0.997 51 Y CA -0.474 57.585 58.100 -0.067 0.000 1.149 51 Y CB 0.794 39.198 38.460 -0.094 0.000 1.171 51 Y HN 0.354 nan 8.280 nan 0.000 0.494 52 L N 7.590 128.600 121.223 -0.354 0.000 2.454 52 L HA 0.412 4.752 4.340 -0.000 0.000 0.258 52 L C 0.501 177.164 176.870 -0.346 0.000 1.025 52 L CA -0.411 54.303 54.840 -0.209 0.000 0.901 52 L CB 0.850 42.854 42.059 -0.091 0.000 1.210 52 L HN 0.914 nan 8.230 nan 0.000 0.457 53 G N 0.794 109.406 108.800 -0.314 0.000 2.504 53 G HA2 0.196 4.156 3.960 -0.000 0.000 0.257 53 G HA3 0.196 4.156 3.960 -0.000 0.000 0.257 53 G C 0.866 175.739 174.900 -0.044 0.000 1.451 53 G CA -0.019 44.983 45.100 -0.162 0.000 1.059 53 G HN 0.492 nan 8.290 nan 0.000 0.550 54 S N -0.724 114.970 115.700 -0.010 0.000 2.383 54 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 54 S C 2.253 176.872 174.600 0.032 0.000 1.026 54 S CA 0.694 58.896 58.200 0.004 0.000 0.981 54 S CB -0.303 62.901 63.200 0.005 0.000 0.818 54 S HN 0.284 nan 8.310 nan 0.000 0.472 55 L N 2.051 123.299 121.223 0.042 0.000 2.201 55 L HA 0.090 4.430 4.340 -0.000 0.000 0.212 55 L C 2.204 179.115 176.870 0.068 0.000 1.105 55 L CA 1.403 56.275 54.840 0.054 0.000 0.775 55 L CB -1.133 40.943 42.059 0.029 0.000 0.913 55 L HN 0.333 nan 8.230 nan 0.000 0.440 56 G N -1.623 107.207 108.800 0.051 0.000 2.394 56 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 56 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 56 G C 1.528 176.506 174.900 0.130 0.000 1.165 56 G CA 0.851 45.998 45.100 0.078 0.000 0.784 56 G HN 0.268 nan 8.290 nan 0.000 0.535 57 V N 0.815 120.778 119.914 0.081 0.000 2.343 57 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 57 V C 2.672 178.851 176.094 0.141 0.000 1.051 57 V CA 1.621 63.971 62.300 0.084 0.000 1.036 57 V CB -0.471 31.364 31.823 0.020 0.000 0.654 57 V HN 0.352 nan 8.190 nan 0.000 0.451 58 L N 0.179 121.480 121.223 0.130 0.000 1.970 58 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 58 L C 2.642 179.655 176.870 0.240 0.000 1.071 58 L CA 2.557 57.504 54.840 0.179 0.000 0.751 58 L CB -1.031 41.115 42.059 0.144 0.000 0.889 58 L HN 0.316 nan 8.230 nan 0.000 0.432 59 S N -0.961 114.876 115.700 0.228 0.000 2.365 59 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 59 S C 2.048 176.780 174.600 0.220 0.000 1.039 59 S CA 1.881 60.241 58.200 0.266 0.000 1.033 59 S CB -0.457 62.996 63.200 0.422 0.000 0.887 59 S HN 0.475 nan 8.310 nan 0.000 0.447 60 L N -0.273 121.084 121.223 0.224 0.000 2.017 60 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 60 L C 2.312 179.246 176.870 0.106 0.000 1.073 60 L CA 1.691 56.612 54.840 0.136 0.000 0.745 60 L CB -0.650 41.491 42.059 0.137 0.000 0.894 60 L HN 0.377 nan 8.230 nan 0.000 0.432 61 F N 0.226 120.188 119.950 0.020 0.000 2.120 61 F HA -0.302 4.225 4.527 -0.000 0.000 0.300 61 F C 2.832 178.601 175.800 -0.051 0.000 1.095 61 F CA 1.907 59.893 58.000 -0.023 0.000 1.249 61 F CB -0.310 38.686 39.000 -0.007 0.000 0.995 61 F HN -0.027 nan 8.300 nan 0.000 0.480 62 S N -0.243 115.487 115.700 0.051 0.000 2.371 62 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 62 S C 2.365 176.937 174.600 -0.047 0.000 1.029 62 S CA 1.161 59.361 58.200 0.001 0.000 0.978 62 S CB -1.136 62.201 63.200 0.228 0.000 0.833 62 S HN 0.550 nan 8.310 nan 0.000 0.466 63 G N 1.861 110.674 108.800 0.021 0.000 2.440 63 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 63 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 63 G C 1.398 176.355 174.900 0.095 0.000 1.154 63 G CA 0.959 46.116 45.100 0.095 0.000 0.767 63 G HN 0.515 nan 8.290 nan 0.000 0.552 64 L N -0.178 120.989 121.223 -0.093 0.000 2.046 64 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 64 L C 3.031 179.788 176.870 -0.189 0.000 1.077 64 L CA 0.740 55.491 54.840 -0.148 0.000 0.747 64 L CB -0.373 41.551 42.059 -0.225 0.000 0.896 64 L HN 0.151 nan 8.230 nan 0.000 0.432 65 M N -1.324 117.973 119.600 -0.506 0.000 2.229 65 M HA -0.203 4.277 4.480 -0.000 0.000 0.264 65 M C 2.047 178.157 176.300 -0.316 0.000 1.063 65 M CA 1.366 56.224 55.300 -0.737 0.000 1.114 65 M CB -1.260 30.280 32.600 -1.767 0.000 1.387 65 M HN 0.440 nan 8.290 nan 0.000 0.420 66 W N 0.454 121.597 121.300 -0.261 0.000 2.338 66 W HA -0.255 4.405 4.660 -0.000 0.000 0.304 66 W C 2.158 178.637 176.519 -0.066 0.000 1.212 66 W CA 1.457 58.774 57.345 -0.048 0.000 1.264 66 W CB -0.895 28.549 29.460 -0.027 0.000 1.142 66 W HN 0.178 nan 8.180 nan 0.000 0.512 67 F N -0.458 119.276 119.950 -0.360 0.000 2.187 67 F HA -0.102 4.425 4.527 -0.000 0.000 0.295 67 F C 2.381 178.009 175.800 -0.287 0.000 1.091 67 F CA 1.983 59.678 58.000 -0.509 0.000 1.308 67 F CB -0.992 37.831 39.000 -0.294 0.000 1.030 67 F HN -0.065 nan 8.300 nan 0.000 0.487 68 F N 0.587 120.492 119.950 -0.076 0.000 2.134 68 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 68 F C 2.248 177.967 175.800 -0.134 0.000 1.097 68 F CA 2.163 60.108 58.000 -0.092 0.000 1.264 68 F CB -0.868 38.063 39.000 -0.115 0.000 1.001 68 F HN -0.157 nan 8.300 nan 0.000 0.479 69 T N 1.549 116.104 114.554 0.002 0.000 2.708 69 T HA -0.183 4.167 4.350 -0.000 0.000 0.266 69 T C 2.039 176.601 174.700 -0.230 0.000 1.037 69 T CA 2.056 64.124 62.100 -0.053 0.000 1.146 69 T CB -0.474 68.458 68.868 0.106 0.000 0.865 69 T HN 0.289 nan 8.240 nan 0.000 0.435 70 I N 1.103 121.405 120.570 -0.447 0.000 2.226 70 I HA -0.090 4.080 4.170 -0.000 0.000 0.245 70 I C 2.876 178.580 176.117 -0.688 0.000 1.100 70 I CA 1.316 62.236 61.300 -0.633 0.000 1.374 70 I CB -0.613 36.783 38.000 -1.006 0.000 1.057 70 I HN 0.313 nan 8.210 nan 0.000 0.413 71 G N 0.758 109.194 108.800 -0.606 0.000 2.408 71 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 71 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 71 G C 1.555 176.441 174.900 -0.024 0.000 1.150 71 G CA 0.444 45.365 45.100 -0.299 0.000 0.776 71 G HN 0.166 nan 8.290 nan 0.000 0.542 72 I N -0.206 120.226 120.570 -0.230 0.000 2.163 72 I HA -0.134 4.036 4.170 -0.000 0.000 0.243 72 I C 2.380 178.563 176.117 0.109 0.000 1.085 72 I CA 0.555 61.785 61.300 -0.117 0.000 1.347 72 I CB -0.558 37.239 38.000 -0.339 0.000 1.044 72 I HN 0.436 nan 8.210 nan 0.000 0.408 73 W N 0.378 121.634 121.300 -0.074 0.000 2.355 73 W HA -0.300 4.360 4.660 -0.000 0.000 0.309 73 W C 2.339 178.944 176.519 0.143 0.000 1.206 73 W CA 1.267 58.645 57.345 0.055 0.000 1.284 73 W CB -0.353 29.154 29.460 0.077 0.000 1.145 73 W HN 0.066 nan 8.180 nan 0.000 0.502 74 F N -0.273 119.594 119.950 -0.138 0.000 2.091 74 F HA -0.203 4.324 4.527 -0.000 0.000 0.299 74 F C 2.081 177.423 175.800 -0.763 0.000 1.103 74 F CA 1.240 58.897 58.000 -0.571 0.000 1.228 74 F CB -1.823 36.985 39.000 -0.320 0.000 0.984 74 F HN -0.049 nan 8.300 nan 0.000 0.477 75 W N -1.173 120.009 121.300 -0.197 0.000 2.358 75 W HA -0.241 4.419 4.660 -0.000 0.000 0.303 75 W C 2.646 178.586 176.519 -0.965 0.000 1.208 75 W CA 1.806 58.934 57.345 -0.362 0.000 1.274 75 W CB -1.249 28.120 29.460 -0.151 0.000 1.138 75 W HN 0.087 nan 8.180 nan 0.000 0.515 76 Y N 1.225 120.887 120.300 -1.064 0.000 2.128 76 Y HA -0.333 4.217 4.550 -0.000 0.000 0.284 76 Y C 2.366 177.677 175.900 -0.982 0.000 1.154 76 Y CA 2.350 59.646 58.100 -1.340 0.000 1.149 76 Y CB -0.826 37.127 38.460 -0.844 0.000 0.976 76 Y HN 0.020 nan 8.280 nan 0.000 0.505 77 Q N -0.353 118.850 119.800 -0.995 0.000 2.170 77 Q HA -0.155 4.185 4.340 -0.000 0.000 0.203 77 Q C 2.175 177.810 176.000 -0.609 0.000 0.976 77 Q CA 1.210 56.510 55.803 -0.838 0.000 0.858 77 Q CB -0.360 27.996 28.738 -0.636 0.000 0.907 77 Q HN 0.602 nan 8.270 nan 0.000 0.433 78 A N 0.337 122.733 122.820 -0.707 0.000 2.255 78 A HA 0.202 4.522 4.320 -0.000 0.000 0.206 78 A C 1.372 178.769 177.584 -0.313 0.000 1.193 78 A CA 0.697 52.510 52.037 -0.374 0.000 0.794 78 A CB -0.652 18.123 19.000 -0.374 0.000 0.794 78 A HN 0.458 nan 8.150 nan 0.000 0.481 79 G N -2.164 106.334 108.800 -0.504 0.000 2.305 79 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.287 79 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.287 79 G C 0.345 175.177 174.900 -0.113 0.000 1.036 79 G CA 0.317 45.191 45.100 -0.377 0.000 0.887 79 G HN 1.136 nan 8.290 nan 0.000 0.505 80 W N -2.565 118.784 121.300 0.081 0.000 3.207 80 W HA -0.218 4.442 4.660 -0.000 0.000 0.291 80 W C 0.785 177.495 176.519 0.318 0.000 1.105 80 W CA 0.411 57.917 57.345 0.267 0.000 0.612 80 W CB -1.724 27.823 29.460 0.145 0.000 2.140 80 W HN 0.643 nan 8.180 nan 0.000 1.420 81 N N 0.906 119.768 118.700 0.270 0.000 2.437 81 N HA 0.217 4.957 4.740 -0.000 0.000 0.259 81 N C -1.149 174.414 175.510 0.088 0.000 0.983 81 N CA -1.972 51.194 53.050 0.192 0.000 0.937 81 N CB 1.600 40.140 38.487 0.088 0.000 1.122 81 N HN -0.265 nan 8.380 nan 0.000 0.499 82 P HA -0.076 nan 4.420 nan 0.000 0.216 82 P C 0.888 178.212 177.300 0.040 0.000 1.150 82 P CA 1.241 64.380 63.100 0.064 0.000 0.837 82 P CB 0.226 32.082 31.700 0.260 0.000 0.786 83 A N -0.398 122.453 122.820 0.052 0.000 1.883 83 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 83 A C 2.386 179.964 177.584 -0.010 0.000 1.186 83 A CA 2.055 54.105 52.037 0.023 0.000 0.624 83 A CB -1.752 17.259 19.000 0.018 0.000 0.822 83 A HN 0.044 nan 8.150 nan 0.000 0.444 84 V N -1.230 118.676 119.914 -0.013 0.000 2.343 84 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 84 V C 2.290 178.389 176.094 0.009 0.000 1.051 84 V CA 2.155 64.437 62.300 -0.030 0.000 1.036 84 V CB -0.967 30.840 31.823 -0.027 0.000 0.654 84 V HN 0.633 nan 8.190 nan 0.000 0.451 85 F N -0.012 119.817 119.950 -0.201 0.000 2.126 85 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 85 F C 2.074 177.808 175.800 -0.109 0.000 1.096 85 F CA 1.629 59.470 58.000 -0.266 0.000 1.255 85 F CB -0.087 38.333 39.000 -0.967 0.000 0.997 85 F HN 0.015 nan 8.300 nan 0.000 0.479 86 L N 0.413 121.618 121.223 -0.031 0.000 2.072 86 L HA -0.118 4.221 4.340 -0.000 0.000 0.205 86 L C 2.535 179.276 176.870 -0.216 0.000 1.079 86 L CA 1.556 56.333 54.840 -0.107 0.000 0.752 86 L CB -1.598 40.460 42.059 -0.002 0.000 0.906 86 L HN 0.213 nan 8.230 nan 0.000 0.436 87 R N 0.236 120.634 120.500 -0.171 0.000 2.070 87 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 87 R C 0.802 176.941 176.300 -0.268 0.000 1.137 87 R CA 1.858 57.844 56.100 -0.190 0.000 0.945 87 R CB 0.057 30.264 30.300 -0.154 0.000 0.845 87 R HN 0.256 nan 8.270 nan 0.000 0.430 88 D N 0.562 120.727 120.400 -0.392 0.000 2.358 88 D HA -0.014 4.626 4.640 -0.000 0.000 0.224 88 D C 1.274 176.991 176.300 -0.972 0.000 1.123 88 D CA -0.079 53.552 54.000 -0.616 0.000 0.833 88 D CB 0.400 40.679 40.800 -0.867 0.000 0.946 88 D HN 0.124 nan 8.370 nan 0.000 0.505 89 L N 0.190 120.986 121.223 -0.712 0.000 2.021 89 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 89 L C 1.397 177.985 176.870 -0.471 0.000 1.074 89 L CA 1.773 56.235 54.840 -0.631 0.000 0.760 89 L CB -0.535 41.210 42.059 -0.523 0.000 0.889 89 L HN -0.015 nan 8.230 nan 0.000 0.433 90 F N -1.682 117.853 119.950 -0.691 0.000 2.802 90 F HA 0.029 4.556 4.527 -0.000 0.000 0.300 90 F C 1.824 176.999 175.800 -1.042 0.000 1.168 90 F CA 0.107 57.496 58.000 -1.018 0.000 1.433 90 F CB -1.099 36.892 39.000 -1.681 0.000 1.115 90 F HN 0.073 nan 8.300 nan 0.000 0.582 91 F N -2.012 117.605 119.950 -0.555 0.000 2.656 91 F HA 0.145 4.672 4.527 -0.000 0.000 0.291 91 F C 0.823 176.394 175.800 -0.382 0.000 1.122 91 F CA -0.397 57.395 58.000 -0.346 0.000 1.427 91 F CB -0.389 38.384 39.000 -0.378 0.000 1.125 91 F HN -0.349 nan 8.300 nan 0.000 0.583 92 F N 0.482 120.234 119.950 -0.331 0.000 2.496 92 F HA 0.367 4.894 4.527 -0.000 0.000 0.344 92 F C 0.705 176.331 175.800 -0.289 0.000 1.155 92 F CA -0.552 57.116 58.000 -0.553 0.000 1.302 92 F CB 0.396 38.497 39.000 -1.499 0.000 1.159 92 F HN -0.356 nan 8.300 nan 0.000 0.595 93 S N 1.940 117.877 115.700 0.396 0.000 2.562 93 S HA 0.515 4.985 4.470 -0.000 0.000 0.274 93 S C -1.938 173.125 174.600 0.772 0.000 1.160 93 S CA -0.671 57.872 58.200 0.571 0.000 0.933 93 S CB 0.826 64.249 63.200 0.371 0.000 1.100 93 S HN 0.537 nan 8.310 nan 0.000 0.468 94 L N 4.894 126.522 121.223 0.675 0.000 2.262 94 L HA 0.648 4.988 4.340 -0.000 0.000 0.288 94 L C -0.513 176.576 176.870 0.366 0.000 1.035 94 L CA 0.211 55.257 54.840 0.344 0.000 0.820 94 L CB 0.844 43.084 42.059 0.302 0.000 1.204 94 L HN 0.614 nan 8.230 nan 0.000 0.424 95 E N 6.852 127.146 120.200 0.155 0.000 2.191 95 E HA 0.497 4.847 4.350 -0.000 0.000 0.274 95 E C -2.525 173.925 176.600 -0.250 0.000 0.948 95 E CA -1.822 54.580 56.400 0.002 0.000 0.802 95 E CB 1.501 31.233 29.700 0.053 0.000 1.137 95 E HN 0.452 nan 8.360 nan 0.000 0.397 96 P HA 0.231 nan 4.420 nan 0.000 0.275 96 P C -2.569 174.511 177.300 -0.367 0.000 1.266 96 P CA -1.467 60.977 63.100 -1.094 0.000 0.793 96 P CB -0.502 30.152 31.700 -1.742 0.000 1.074 97 P HA 0.072 nan 4.420 nan 0.000 0.269 97 P C -0.159 177.209 177.300 0.114 0.000 1.215 97 P CA 0.212 63.335 63.100 0.038 0.000 0.780 97 P CB -0.028 31.754 31.700 0.136 0.000 0.898 98 A N 4.744 127.708 122.820 0.240 0.000 2.492 98 A HA 0.143 4.463 4.320 -0.000 0.000 0.236 98 A C -1.188 176.474 177.584 0.130 0.000 1.078 98 A CA -0.511 51.626 52.037 0.167 0.000 0.773 98 A CB -1.224 17.869 19.000 0.155 0.000 1.023 98 A HN 0.440 nan 8.150 nan 0.000 0.504 99 P HA -0.164 nan 4.420 nan 0.000 0.216 99 P C 0.746 178.029 177.300 -0.029 0.000 1.150 99 P CA 1.612 64.716 63.100 0.007 0.000 0.843 99 P CB 0.075 31.765 31.700 -0.016 0.000 0.787 100 E N -2.013 118.125 120.200 -0.102 0.000 2.331 100 E HA -0.177 4.173 4.350 -0.000 0.000 0.199 100 E C 1.163 177.584 176.600 -0.298 0.000 1.008 100 E CA 1.048 57.312 56.400 -0.227 0.000 0.843 100 E CB -0.922 28.584 29.700 -0.323 0.000 0.761 100 E HN 0.483 nan 8.360 nan 0.000 0.507 101 Y N -0.477 119.839 120.300 0.026 0.000 2.482 101 Y HA 0.238 4.788 4.550 -0.000 0.000 0.270 101 Y C 1.798 177.712 175.900 0.023 0.000 1.152 101 Y CA 0.287 58.416 58.100 0.047 0.000 1.292 101 Y CB -0.116 38.404 38.460 0.100 0.000 1.070 101 Y HN 0.082 nan 8.280 nan 0.000 0.528 102 G N 1.078 109.928 108.800 0.083 0.000 2.634 102 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.309 102 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.309 102 G C 0.700 175.531 174.900 -0.116 0.000 1.265 102 G CA 0.735 45.814 45.100 -0.036 0.000 0.998 102 G HN 0.291 nan 8.290 nan 0.000 0.551 103 L N 1.890 122.959 121.223 -0.258 0.000 2.653 103 L HA 0.340 4.680 4.340 -0.000 0.000 0.231 103 L C 1.869 178.682 176.870 -0.095 0.000 1.153 103 L CA 0.508 55.031 54.840 -0.528 0.000 0.933 103 L CB -0.157 41.541 42.059 -0.601 0.000 1.175 103 L HN 0.658 nan 8.230 nan 0.000 0.473 104 S N -0.505 115.220 115.700 0.042 0.000 2.617 104 S HA 0.190 4.660 4.470 -0.000 0.000 0.259 104 S C 0.216 174.886 174.600 0.118 0.000 1.301 104 S CA -0.169 58.033 58.200 0.004 0.000 0.984 104 S CB 0.590 63.849 63.200 0.099 0.000 0.954 104 S HN 0.141 nan 8.310 nan 0.000 0.572 105 F N 0.246 120.306 119.950 0.184 0.000 2.750 105 F HA 0.521 5.048 4.527 -0.000 0.000 0.297 105 F C 1.578 177.377 175.800 -0.002 0.000 1.138 105 F CA -0.789 57.258 58.000 0.079 0.000 1.346 105 F CB -0.740 38.284 39.000 0.039 0.000 0.965 105 F HN 0.732 nan 8.300 nan 0.000 0.514 106 A N -0.098 122.805 122.820 0.138 0.000 2.178 106 A HA 0.518 4.837 4.320 -0.000 0.000 0.211 106 A C 1.559 179.054 177.584 -0.148 0.000 1.157 106 A CA 0.433 52.507 52.037 0.062 0.000 0.780 106 A CB -0.502 18.601 19.000 0.173 0.000 0.828 106 A HN 0.177 nan 8.150 nan 0.000 0.476 107 A N 1.233 123.763 122.820 -0.483 0.000 2.462 107 A HA 0.509 4.829 4.320 -0.000 0.000 0.243 107 A C -2.200 175.206 177.584 -0.297 0.000 1.076 107 A CA -0.954 50.589 52.037 -0.822 0.000 0.773 107 A CB -0.401 18.056 19.000 -0.906 0.000 1.010 107 A HN 0.264 nan 8.150 nan 0.000 0.493 108 P HA 0.135 nan 4.420 nan 0.000 0.270 108 P C 1.050 178.305 177.300 -0.075 0.000 1.223 108 P CA -0.448 62.612 63.100 -0.067 0.000 0.785 108 P CB 0.413 32.115 31.700 0.003 0.000 0.923 109 L N 0.948 122.142 121.223 -0.047 0.000 2.013 109 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 109 L C 1.935 178.743 176.870 -0.104 0.000 1.073 109 L CA 1.952 56.757 54.840 -0.060 0.000 0.753 109 L CB -0.603 41.444 42.059 -0.019 0.000 0.890 109 L HN 0.469 nan 8.230 nan 0.000 0.432 110 K N -0.130 120.251 120.400 -0.031 0.000 2.555 110 K HA -0.062 4.258 4.320 -0.000 0.000 0.193 110 K C 0.142 176.701 176.600 -0.068 0.000 1.032 110 K CA 0.627 56.920 56.287 0.010 0.000 1.004 110 K CB 0.106 32.742 32.500 0.226 0.000 0.804 110 K HN 0.430 nan 8.250 nan 0.000 0.496 111 E N -0.793 119.360 120.200 -0.078 0.000 3.843 111 E HA 0.166 4.516 4.350 -0.000 0.000 0.189 111 E C 0.250 176.806 176.600 -0.073 0.000 1.013 111 E CA -0.194 56.188 56.400 -0.030 0.000 1.395 111 E CB 1.400 31.138 29.700 0.063 0.000 1.136 111 E HN 0.289 nan 8.360 nan 0.000 0.444 112 G N 0.221 108.955 108.800 -0.109 0.000 3.465 112 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.196 112 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.196 112 G C 1.183 176.084 174.900 0.002 0.000 1.170 112 G CA -0.110 44.959 45.100 -0.051 0.000 0.887 112 G HN 0.381 nan 8.290 nan 0.000 0.444 113 G N 0.937 109.694 108.800 -0.072 0.000 2.469 113 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.219 113 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.219 113 G C 1.748 176.614 174.900 -0.056 0.000 1.150 113 G CA 1.698 46.758 45.100 -0.066 0.000 0.763 113 G HN 0.614 nan 8.290 nan 0.000 0.561 114 L N -0.735 120.443 121.223 -0.074 0.000 2.131 114 L HA 0.079 4.419 4.340 -0.000 0.000 0.210 114 L C 2.285 179.149 176.870 -0.009 0.000 1.092 114 L CA 0.925 55.723 54.840 -0.070 0.000 0.759 114 L CB -0.978 40.976 42.059 -0.175 0.000 0.903 114 L HN 0.552 nan 8.230 nan 0.000 0.435 115 W N -0.328 120.901 121.300 -0.119 0.000 2.381 115 W HA -0.190 4.470 4.660 -0.000 0.000 0.301 115 W C 2.239 178.777 176.519 0.031 0.000 1.205 115 W CA 1.392 58.744 57.345 0.011 0.000 1.285 115 W CB -0.089 29.340 29.460 -0.051 0.000 1.133 115 W HN 0.070 nan 8.180 nan 0.000 0.521 116 L N 0.077 121.338 121.223 0.063 0.000 2.093 116 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 116 L C 2.382 179.113 176.870 -0.231 0.000 1.085 116 L CA 1.181 55.917 54.840 -0.173 0.000 0.755 116 L CB -0.748 41.209 42.059 -0.171 0.000 0.904 116 L HN -0.009 nan 8.230 nan 0.000 0.435 117 I N -0.170 120.296 120.570 -0.173 0.000 2.179 117 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 117 I C 2.794 178.896 176.117 -0.025 0.000 1.088 117 I CA 1.212 62.406 61.300 -0.175 0.000 1.357 117 I CB -0.484 37.461 38.000 -0.091 0.000 1.051 117 I HN 0.206 nan 8.210 nan 0.000 0.409 118 A N 0.208 123.040 122.820 0.021 0.000 1.902 118 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 118 A C 2.487 180.140 177.584 0.116 0.000 1.181 118 A CA 2.299 54.412 52.037 0.128 0.000 0.623 118 A CB -0.742 18.159 19.000 -0.165 0.000 0.818 118 A HN 0.409 nan 8.150 nan 0.000 0.443 119 S N -1.011 114.605 115.700 -0.139 0.000 2.368 119 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 119 S C 1.639 176.323 174.600 0.140 0.000 1.029 119 S CA 1.224 59.389 58.200 -0.058 0.000 0.988 119 S CB -0.572 62.316 63.200 -0.521 0.000 0.838 119 S HN 0.630 nan 8.310 nan 0.000 0.462 120 F N 2.124 122.000 119.950 -0.124 0.000 2.065 120 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 120 F C 1.714 177.520 175.800 0.009 0.000 1.112 120 F CA 1.492 59.400 58.000 -0.153 0.000 1.212 120 F CB -0.500 38.254 39.000 -0.409 0.000 0.975 120 F HN 0.113 nan 8.300 nan 0.000 0.476 121 F N -0.026 119.990 119.950 0.110 0.000 2.216 121 F HA -0.178 4.349 4.527 -0.000 0.000 0.300 121 F C 2.578 178.334 175.800 -0.073 0.000 1.085 121 F CA 1.535 59.554 58.000 0.032 0.000 1.326 121 F CB -0.918 38.199 39.000 0.195 0.000 1.027 121 F HN 0.096 nan 8.300 nan 0.000 0.497 122 M N -1.360 118.257 119.600 0.029 0.000 2.156 122 M HA -0.193 4.287 4.480 -0.000 0.000 0.264 122 M C 2.299 178.607 176.300 0.013 0.000 1.067 122 M CA 1.589 56.719 55.300 -0.282 0.000 1.131 122 M CB -0.393 31.859 32.600 -0.580 0.000 1.368 122 M HN 0.176 nan 8.290 nan 0.000 0.416 123 F N 0.498 120.484 119.950 0.059 0.000 2.046 123 F HA -0.253 4.274 4.527 -0.000 0.000 0.297 123 F C 1.903 177.755 175.800 0.088 0.000 1.123 123 F CA 2.107 60.181 58.000 0.125 0.000 1.199 123 F CB -0.541 38.341 39.000 -0.196 0.000 0.972 123 F HN -0.091 nan 8.300 nan 0.000 0.474 124 V N 0.636 120.614 119.914 0.106 0.000 2.392 124 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 124 V C 2.672 178.816 176.094 0.083 0.000 1.059 124 V CA 1.804 64.137 62.300 0.055 0.000 1.051 124 V CB -1.699 30.093 31.823 -0.052 0.000 0.658 124 V HN 0.540 nan 8.190 nan 0.000 0.455 125 A N -0.188 122.656 122.820 0.040 0.000 1.873 125 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 125 A C 2.392 179.990 177.584 0.024 0.000 1.186 125 A CA 2.064 54.122 52.037 0.036 0.000 0.616 125 A CB -0.681 18.291 19.000 -0.048 0.000 0.823 125 A HN 0.332 nan 8.150 nan 0.000 0.442 126 V N -2.270 117.540 119.914 -0.173 0.000 2.307 126 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 126 V C 2.277 178.298 176.094 -0.121 0.000 1.045 126 V CA 1.837 63.958 62.300 -0.299 0.000 1.024 126 V CB -1.059 30.164 31.823 -1.001 0.000 0.651 126 V HN 0.779 nan 8.190 nan 0.000 0.449 127 W N 0.833 122.061 121.300 -0.120 0.000 2.409 127 W HA -0.156 4.504 4.660 -0.000 0.000 0.299 127 W C 2.966 179.579 176.519 0.158 0.000 1.203 127 W CA 1.494 58.810 57.345 -0.049 0.000 1.298 127 W CB -0.417 28.854 29.460 -0.314 0.000 1.127 127 W HN 0.340 nan 8.180 nan 0.000 0.528 128 S N -0.941 114.952 115.700 0.323 0.000 2.399 128 S HA -0.251 4.219 4.470 -0.000 0.000 0.231 128 S C 1.665 176.411 174.600 0.244 0.000 1.022 128 S CA 0.950 59.303 58.200 0.256 0.000 0.983 128 S CB -1.222 62.101 63.200 0.206 0.000 0.803 128 S HN 0.473 nan 8.310 nan 0.000 0.480 129 W N 0.942 122.322 121.300 0.134 0.000 2.381 129 W HA -0.075 4.584 4.660 -0.000 0.000 0.301 129 W C 1.973 178.638 176.519 0.243 0.000 1.205 129 W CA 0.968 58.389 57.345 0.127 0.000 1.285 129 W CB -0.543 28.970 29.460 0.089 0.000 1.133 129 W HN 0.485 nan 8.180 nan 0.000 0.521 130 W N 1.672 123.214 121.300 0.403 0.000 2.318 130 W HA -0.181 4.479 4.660 -0.000 0.000 0.313 130 W C 2.454 179.056 176.519 0.138 0.000 1.221 130 W CA 3.500 61.015 57.345 0.284 0.000 1.266 130 W CB -0.925 28.492 29.460 -0.071 0.000 1.150 130 W HN -0.097 nan 8.180 nan 0.000 0.496 131 G N 0.123 108.954 108.800 0.051 0.000 2.440 131 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.218 131 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.218 131 G C 1.627 176.331 174.900 -0.326 0.000 1.154 131 G CA 1.055 46.018 45.100 -0.228 0.000 0.767 131 G HN 0.284 nan 8.290 nan 0.000 0.552 132 R N -0.003 120.309 120.500 -0.312 0.000 2.103 132 R HA -0.134 4.205 4.340 -0.000 0.000 0.242 132 R C 3.095 179.102 176.300 -0.488 0.000 1.142 132 R CA 2.012 57.843 56.100 -0.447 0.000 0.960 132 R CB -0.574 29.270 30.300 -0.760 0.000 0.858 132 R HN 0.574 nan 8.270 nan 0.000 0.439 133 T N -2.266 111.986 114.554 -0.504 0.000 2.788 133 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 133 T C 1.805 176.233 174.700 -0.453 0.000 1.044 133 T CA 1.181 63.022 62.100 -0.432 0.000 1.139 133 T CB -0.523 68.178 68.868 -0.278 0.000 0.867 133 T HN 0.321 nan 8.240 nan 0.000 0.454 134 Y N 1.643 121.525 120.300 -0.697 0.000 2.133 134 Y HA 0.139 4.689 4.550 -0.000 0.000 0.287 134 Y C 2.257 177.886 175.900 -0.450 0.000 1.134 134 Y CA 1.159 58.867 58.100 -0.653 0.000 1.133 134 Y CB -0.321 37.644 38.460 -0.826 0.000 0.987 134 Y HN 0.132 nan 8.280 nan 0.000 0.502 135 L N -0.458 120.648 121.223 -0.195 0.000 2.056 135 L HA -0.213 4.127 4.340 -0.000 0.000 0.207 135 L C 2.528 179.216 176.870 -0.303 0.000 1.078 135 L CA 1.013 55.746 54.840 -0.178 0.000 0.749 135 L CB -0.450 41.517 42.059 -0.153 0.000 0.901 135 L HN 0.139 nan 8.230 nan 0.000 0.433 136 R N 0.209 120.486 120.500 -0.373 0.000 2.120 136 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 136 R C 2.218 178.311 176.300 -0.346 0.000 1.123 136 R CA 1.368 57.223 56.100 -0.408 0.000 0.975 136 R CB -1.025 29.034 30.300 -0.401 0.000 0.866 136 R HN 0.353 nan 8.270 nan 0.000 0.446 137 A N 1.105 123.707 122.820 -0.363 0.000 1.898 137 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 137 A C 2.208 179.597 177.584 -0.326 0.000 1.181 137 A CA 1.450 53.278 52.037 -0.348 0.000 0.620 137 A CB -0.473 18.272 19.000 -0.425 0.000 0.819 137 A HN 0.395 nan 8.150 nan 0.000 0.442 138 Q N -0.590 118.989 119.800 -0.368 0.000 2.119 138 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 138 Q C 2.096 177.977 176.000 -0.198 0.000 0.972 138 Q CA 1.366 56.998 55.803 -0.286 0.000 0.847 138 Q CB -0.304 28.288 28.738 -0.245 0.000 0.903 138 Q HN 0.588 nan 8.270 nan 0.000 0.433 139 A N 0.391 123.081 122.820 -0.215 0.000 2.015 139 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 139 A C 1.757 179.244 177.584 -0.161 0.000 1.163 139 A CA 0.786 52.713 52.037 -0.184 0.000 0.646 139 A CB -0.233 18.621 19.000 -0.242 0.000 0.806 139 A HN 0.432 nan 8.150 nan 0.000 0.448 140 L N -1.482 119.634 121.223 -0.178 0.000 2.592 140 L HA 0.250 4.590 4.340 -0.000 0.000 0.227 140 L C 1.597 178.393 176.870 -0.122 0.000 1.127 140 L CA 0.519 55.274 54.840 -0.143 0.000 0.884 140 L CB 0.102 42.070 42.059 -0.151 0.000 1.065 140 L HN 0.537 nan 8.230 nan 0.000 0.457 141 G N -0.027 108.695 108.800 -0.129 0.000 2.159 141 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.256 141 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.256 141 G C 0.270 175.106 174.900 -0.108 0.000 0.977 141 G CA 0.075 45.112 45.100 -0.104 0.000 0.652 141 G HN 0.247 nan 8.290 nan 0.000 0.531 142 M N 0.629 120.145 119.600 -0.140 0.000 2.283 142 M HA 0.539 5.019 4.480 -0.000 0.000 0.314 142 M C 1.411 177.631 176.300 -0.133 0.000 1.153 142 M CA 0.052 55.275 55.300 -0.128 0.000 1.084 142 M CB 0.798 33.309 32.600 -0.148 0.000 1.468 142 M HN 0.215 nan 8.290 nan 0.000 0.474 143 G N 0.695 109.465 108.800 -0.050 0.000 2.699 143 G HA2 0.107 4.067 3.960 -0.000 0.000 0.246 143 G HA3 0.107 4.067 3.960 -0.000 0.000 0.246 143 G C 0.237 175.095 174.900 -0.070 0.000 1.219 143 G CA -0.487 44.641 45.100 0.046 0.000 0.866 143 G HN 0.620 nan 8.290 nan 0.000 0.572 144 K N -0.160 120.112 120.400 -0.212 0.000 2.493 144 K HA 0.132 4.451 4.320 -0.000 0.000 0.207 144 K C 1.338 177.616 176.600 -0.536 0.000 1.033 144 K CA -0.137 55.810 56.287 -0.566 0.000 1.161 144 K CB 0.051 32.026 32.500 -0.874 0.000 0.873 144 K HN 0.594 nan 8.250 nan 0.000 0.491 145 H N 0.088 119.022 119.070 -0.228 0.000 2.387 145 H HA -0.056 4.499 4.556 -0.000 0.000 0.299 145 H C 1.652 176.931 175.328 -0.081 0.000 1.090 145 H CA 1.859 57.867 56.048 -0.066 0.000 1.332 145 H CB -0.309 29.429 29.762 -0.040 0.000 1.386 145 H HN 0.065 nan 8.280 nan 0.000 0.516 146 T N 0.374 114.922 114.554 -0.009 0.000 2.708 146 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 146 T C 2.405 177.117 174.700 0.021 0.000 1.037 146 T CA 1.425 63.513 62.100 -0.020 0.000 1.146 146 T CB -0.575 68.238 68.868 -0.092 0.000 0.865 146 T HN 0.523 nan 8.240 nan 0.000 0.435 147 A N 0.454 123.180 122.820 -0.157 0.000 1.933 147 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 147 A C 2.155 179.951 177.584 0.353 0.000 1.175 147 A CA 1.246 53.241 52.037 -0.071 0.000 0.628 147 A CB -1.158 17.520 19.000 -0.536 0.000 0.814 147 A HN 0.749 nan 8.150 nan 0.000 0.444 148 W N -0.482 120.963 121.300 0.241 0.000 2.388 148 W HA -0.010 4.650 4.660 -0.000 0.000 0.294 148 W C 2.752 179.328 176.519 0.095 0.000 1.212 148 W CA 0.475 57.917 57.345 0.162 0.000 1.271 148 W CB -0.047 29.419 29.460 0.010 0.000 1.126 148 W HN 0.407 nan 8.180 nan 0.000 0.535 149 A N 0.429 123.420 122.820 0.284 0.000 1.858 149 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 149 A C 1.746 179.497 177.584 0.278 0.000 1.190 149 A CA 1.429 53.570 52.037 0.173 0.000 0.617 149 A CB -1.323 17.733 19.000 0.094 0.000 0.827 149 A HN 0.324 nan 8.150 nan 0.000 0.443 150 F N 0.389 120.440 119.950 0.168 0.000 2.154 150 F HA -0.174 4.353 4.527 -0.000 0.000 0.301 150 F C 1.784 177.686 175.800 0.171 0.000 1.087 150 F CA 1.394 59.501 58.000 0.178 0.000 1.274 150 F CB -0.673 38.468 39.000 0.234 0.000 1.009 150 F HN 0.179 nan 8.300 nan 0.000 0.485 151 L N -0.204 121.136 121.223 0.194 0.000 2.079 151 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 151 L C 2.765 179.654 176.870 0.032 0.000 1.081 151 L CA 2.118 56.929 54.840 -0.049 0.000 0.752 151 L CB -1.363 40.790 42.059 0.156 0.000 0.896 151 L HN 0.272 nan 8.230 nan 0.000 0.433 152 S N -1.229 114.540 115.700 0.114 0.000 2.382 152 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 152 S C 2.119 176.844 174.600 0.209 0.000 1.027 152 S CA 1.174 59.464 58.200 0.150 0.000 0.991 152 S CB -0.279 62.978 63.200 0.096 0.000 0.823 152 S HN 0.594 nan 8.310 nan 0.000 0.469 153 A N 1.173 124.096 122.820 0.170 0.000 1.930 153 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 153 A C 2.072 179.729 177.584 0.121 0.000 1.175 153 A CA 1.195 53.333 52.037 0.169 0.000 0.627 153 A CB -0.665 18.470 19.000 0.225 0.000 0.815 153 A HN 0.615 nan 8.150 nan 0.000 0.443 154 I N -1.257 119.287 120.570 -0.043 0.000 2.361 154 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 154 I C 2.463 178.709 176.117 0.215 0.000 1.133 154 I CA 1.210 62.458 61.300 -0.086 0.000 1.413 154 I CB -0.307 37.296 38.000 -0.660 0.000 1.073 154 I HN 0.758 nan 8.210 nan 0.000 0.424 155 W N 1.741 123.049 121.300 0.012 0.000 2.332 155 W HA -0.307 4.353 4.660 -0.000 0.000 0.321 155 W C 2.350 178.923 176.519 0.089 0.000 1.219 155 W CA 1.200 58.575 57.345 0.049 0.000 1.277 155 W CB -0.392 29.080 29.460 0.021 0.000 1.161 155 W HN 0.126 nan 8.180 nan 0.000 0.476 156 L N 1.217 122.388 121.223 -0.087 0.000 2.013 156 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 156 L C 2.318 179.150 176.870 -0.063 0.000 1.073 156 L CA 2.901 57.638 54.840 -0.172 0.000 0.753 156 L CB -1.783 40.285 42.059 0.016 0.000 0.890 156 L HN 0.311 nan 8.230 nan 0.000 0.432 157 W N -0.492 120.750 121.300 -0.098 0.000 2.358 157 W HA -0.225 4.434 4.660 -0.000 0.000 0.303 157 W C 2.247 178.801 176.519 0.058 0.000 1.208 157 W CA 1.713 59.038 57.345 -0.034 0.000 1.274 157 W CB -0.231 29.205 29.460 -0.039 0.000 1.138 157 W HN 0.090 nan 8.180 nan 0.000 0.515 158 M N 0.197 119.655 119.600 -0.236 0.000 2.132 158 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 158 M C 1.956 178.157 176.300 -0.165 0.000 1.065 158 M CA 1.438 56.576 55.300 -0.271 0.000 1.122 158 M CB -1.564 31.033 32.600 -0.005 0.000 1.365 158 M HN -0.025 nan 8.290 nan 0.000 0.411 159 V N 0.816 120.532 119.914 -0.331 0.000 2.255 159 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 159 V C 2.513 178.484 176.094 -0.205 0.000 1.051 159 V CA 1.678 63.755 62.300 -0.373 0.000 1.018 159 V CB -0.743 30.686 31.823 -0.658 0.000 0.641 159 V HN 0.398 nan 8.190 nan 0.000 0.445 160 L N 0.092 121.190 121.223 -0.209 0.000 2.056 160 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 160 L C 2.465 179.208 176.870 -0.211 0.000 1.078 160 L CA 1.805 56.543 54.840 -0.169 0.000 0.749 160 L CB -0.840 41.106 42.059 -0.190 0.000 0.901 160 L HN 0.472 nan 8.230 nan 0.000 0.433 161 G N -1.857 106.740 108.800 -0.339 0.000 2.595 161 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.213 161 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.213 161 G C 1.015 175.453 174.900 -0.770 0.000 1.141 161 G CA 0.182 44.912 45.100 -0.616 0.000 0.806 161 G HN 0.246 nan 8.290 nan 0.000 0.530 162 F N -0.638 119.305 119.950 -0.012 0.000 2.268 162 F HA 0.376 4.903 4.527 -0.000 0.000 0.262 162 F C 2.254 178.101 175.800 0.079 0.000 0.910 162 F CA -0.375 57.706 58.000 0.135 0.000 1.142 162 F CB -0.181 38.863 39.000 0.073 0.000 1.229 162 F HN -0.103 nan 8.300 nan 0.000 0.781 163 I N 0.698 121.379 120.570 0.185 0.000 2.179 163 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 163 I C 2.610 178.748 176.117 0.035 0.000 1.088 163 I CA 1.635 62.989 61.300 0.091 0.000 1.357 163 I CB -0.405 37.621 38.000 0.043 0.000 1.051 163 I HN 0.128 nan 8.210 nan 0.000 0.409 164 R N 0.870 121.376 120.500 0.011 0.000 2.062 164 R HA -0.102 4.238 4.340 -0.000 0.000 0.229 164 R C -0.414 175.901 176.300 0.026 0.000 1.128 164 R CA 1.390 57.505 56.100 0.024 0.000 0.960 164 R CB -1.037 29.293 30.300 0.050 0.000 0.855 164 R HN 0.202 nan 8.270 nan 0.000 0.432 165 P HA -0.159 nan 4.420 nan 0.000 0.216 165 P C 1.144 178.335 177.300 -0.181 0.000 1.153 165 P CA 1.400 64.482 63.100 -0.030 0.000 0.858 165 P CB -0.039 31.698 31.700 0.062 0.000 0.789 166 I N -1.412 119.051 120.570 -0.179 0.000 2.142 166 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 166 I C 2.325 178.356 176.117 -0.144 0.000 1.078 166 I CA 1.434 62.595 61.300 -0.232 0.000 1.343 166 I CB -0.690 37.247 38.000 -0.106 0.000 1.046 166 I HN -0.106 nan 8.210 nan 0.000 0.405 167 L N -0.260 120.922 121.223 -0.068 0.000 2.083 167 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 167 L C 2.483 179.322 176.870 -0.051 0.000 1.083 167 L CA 1.047 55.861 54.840 -0.043 0.000 0.752 167 L CB -0.401 41.653 42.059 -0.008 0.000 0.899 167 L HN 0.323 nan 8.230 nan 0.000 0.433 168 M N -0.825 118.744 119.600 -0.051 0.000 2.619 168 M HA 0.074 4.554 4.480 -0.000 0.000 0.251 168 M C 1.632 177.882 176.300 -0.084 0.000 1.106 168 M CA 1.129 56.402 55.300 -0.045 0.000 1.086 168 M CB -0.809 31.785 32.600 -0.010 0.000 1.465 168 M HN 0.460 nan 8.290 nan 0.000 0.506 169 G N 1.455 110.171 108.800 -0.139 0.000 2.176 169 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.253 169 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.253 169 G C 0.171 174.942 174.900 -0.214 0.000 0.979 169 G CA 0.463 45.462 45.100 -0.167 0.000 0.641 169 G HN 0.683 nan 8.290 nan 0.000 0.530 170 S N -2.322 113.232 115.700 -0.243 0.000 2.552 170 S HA 0.518 4.988 4.470 -0.000 0.000 0.272 170 S C 0.189 174.658 174.600 -0.219 0.000 1.150 170 S CA -0.150 57.898 58.200 -0.252 0.000 0.849 170 S CB 0.450 63.594 63.200 -0.093 0.000 1.113 170 S HN 0.446 nan 8.310 nan 0.000 0.458 171 W N 1.462 122.746 121.300 -0.027 0.000 2.699 171 W HA 0.031 4.690 4.660 -0.000 0.000 0.249 171 W C 2.506 178.873 176.519 -0.253 0.000 1.280 171 W CA 0.533 57.810 57.345 -0.113 0.000 1.345 171 W CB -0.069 29.343 29.460 -0.080 0.000 1.128 171 W HN 0.915 nan 8.180 nan 0.000 0.642 172 S N -0.121 115.601 115.700 0.036 0.000 2.469 172 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 172 S C 1.397 176.023 174.600 0.043 0.000 0.998 172 S CA 1.036 59.228 58.200 -0.015 0.000 0.957 172 S CB -0.233 62.980 63.200 0.022 0.000 0.764 172 S HN 0.249 nan 8.310 nan 0.000 0.514 173 E N 1.515 121.766 120.200 0.085 0.000 2.371 173 E HA 0.325 4.675 4.350 -0.000 0.000 0.194 173 E C 1.110 177.893 176.600 0.305 0.000 1.012 173 E CA 0.471 57.001 56.400 0.217 0.000 0.860 173 E CB -0.172 29.630 29.700 0.170 0.000 0.811 173 E HN 0.705 nan 8.360 nan 0.000 0.502 174 A N 1.007 123.875 122.820 0.080 0.000 2.280 174 A HA 0.317 4.637 4.320 -0.000 0.000 0.268 174 A C 0.379 177.775 177.584 -0.314 0.000 1.111 174 A CA -0.418 51.585 52.037 -0.057 0.000 0.814 174 A CB 0.541 19.552 19.000 0.019 0.000 1.093 174 A HN -0.041 nan 8.150 nan 0.000 0.498 175 V N 2.044 121.624 119.914 -0.556 0.000 2.509 175 V HA 0.359 4.479 4.120 -0.000 0.000 0.284 175 V C -1.966 173.899 176.094 -0.381 0.000 1.047 175 V CA -1.290 60.461 62.300 -0.916 0.000 0.952 175 V CB 1.062 32.305 31.823 -0.966 0.000 0.988 175 V HN 0.848 nan 8.190 nan 0.000 0.469 176 P HA 0.187 nan 4.420 nan 0.000 0.274 176 P C -1.403 175.872 177.300 -0.041 0.000 1.231 176 P CA -0.314 62.766 63.100 -0.033 0.000 0.790 176 P CB 0.454 32.204 31.700 0.084 0.000 0.951 177 Y N 0.798 121.305 120.300 0.345 0.000 2.595 177 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 177 Y C 1.324 177.406 175.900 0.304 0.000 1.025 177 Y CA 0.416 58.655 58.100 0.232 0.000 1.295 177 Y CB 0.326 38.862 38.460 0.127 0.000 1.147 177 Y HN 0.553 nan 8.280 nan 0.000 0.515 178 G N 2.030 111.032 108.800 0.336 0.000 2.655 178 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 -0.110 174.873 174.900 0.138 0.000 1.485 178 G CA -0.749 44.545 45.100 0.324 0.000 0.869 178 G HN 0.255 nan 8.290 nan 0.000 0.540 179 I N 0.786 121.351 120.570 -0.009 0.000 2.110 179 I HA 0.004 4.174 4.170 -0.000 0.000 0.236 179 I C 2.549 178.741 176.117 0.125 0.000 1.068 179 I CA 1.351 62.564 61.300 -0.145 0.000 1.333 179 I CB -0.979 36.621 38.000 -0.666 0.000 1.054 179 I HN 0.458 nan 8.210 nan 0.000 0.402 180 F N 1.957 121.868 119.950 -0.064 0.000 2.113 180 F HA -0.172 4.355 4.527 -0.000 0.000 0.297 180 F C 3.062 178.897 175.800 0.059 0.000 1.103 180 F CA 1.300 59.264 58.000 -0.061 0.000 1.248 180 F CB -1.752 37.116 39.000 -0.220 0.000 0.999 180 F HN 0.184 nan 8.300 nan 0.000 0.475 181 S N 0.105 115.978 115.700 0.288 0.000 2.387 181 S HA -0.297 4.173 4.470 -0.000 0.000 0.230 181 S C 2.113 176.904 174.600 0.318 0.000 1.035 181 S CA 1.686 60.049 58.200 0.271 0.000 1.014 181 S CB -1.297 62.058 63.200 0.259 0.000 0.836 181 S HN 0.666 nan 8.310 nan 0.000 0.466 182 H N 2.167 121.342 119.070 0.175 0.000 2.462 182 H HA 0.157 4.712 4.556 -0.000 0.000 0.292 182 H C 1.916 177.382 175.328 0.230 0.000 1.049 182 H CA 1.272 57.422 56.048 0.170 0.000 1.334 182 H CB -0.642 29.173 29.762 0.088 0.000 1.404 182 H HN 0.464 nan 8.280 nan 0.000 0.544 183 L N 0.614 121.822 121.223 -0.026 0.000 2.072 183 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 183 L C 2.311 179.212 176.870 0.052 0.000 1.079 183 L CA 1.248 56.044 54.840 -0.075 0.000 0.752 183 L CB -0.342 41.712 42.059 -0.009 0.000 0.906 183 L HN 0.137 nan 8.230 nan 0.000 0.436 184 D N -0.500 119.968 120.400 0.113 0.000 2.104 184 D HA -0.244 4.396 4.640 -0.000 0.000 0.194 184 D C 1.694 178.086 176.300 0.154 0.000 0.994 184 D CA 1.183 55.248 54.000 0.107 0.000 0.830 184 D CB -0.349 40.523 40.800 0.120 0.000 0.959 184 D HN 0.359 nan 8.370 nan 0.000 0.452 185 W N 1.725 123.057 121.300 0.054 0.000 2.302 185 W HA -0.282 4.378 4.660 -0.000 0.000 0.320 185 W C 2.413 178.982 176.519 0.083 0.000 1.241 185 W CA 2.721 60.112 57.345 0.077 0.000 1.264 185 W CB -0.603 28.908 29.460 0.085 0.000 1.154 185 W HN -0.105 nan 8.180 nan 0.000 0.483 186 T N 0.147 114.909 114.554 0.346 0.000 2.720 186 T HA -0.320 4.030 4.350 -0.000 0.000 0.268 186 T C 1.389 176.097 174.700 0.012 0.000 1.037 186 T CA 1.809 64.009 62.100 0.166 0.000 1.144 186 T CB -0.743 68.199 68.868 0.122 0.000 0.864 186 T HN 0.292 nan 8.240 nan 0.000 0.444 187 N N 1.467 120.167 118.700 0.001 0.000 2.058 187 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 187 N C 1.748 177.219 175.510 -0.064 0.000 1.037 187 N CA 1.396 54.423 53.050 -0.038 0.000 0.848 187 N CB -0.380 38.088 38.487 -0.031 0.000 1.021 187 N HN 0.138 nan 8.380 nan 0.000 0.422 188 N N -0.201 118.449 118.700 -0.083 0.000 2.104 188 N HA -0.158 4.582 4.740 -0.000 0.000 0.190 188 N C 1.448 176.847 175.510 -0.186 0.000 1.024 188 N CA 0.759 53.727 53.050 -0.136 0.000 0.853 188 N CB -0.689 37.708 38.487 -0.150 0.000 1.008 188 N HN 0.320 nan 8.380 nan 0.000 0.424 189 F N 1.305 121.002 119.950 -0.422 0.000 2.120 189 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 189 F C 2.697 178.468 175.800 -0.049 0.000 1.095 189 F CA 1.557 59.339 58.000 -0.363 0.000 1.249 189 F CB -0.544 38.032 39.000 -0.706 0.000 0.995 189 F HN -0.015 nan 8.300 nan 0.000 0.480 190 S N 0.203 115.959 115.700 0.093 0.000 2.356 190 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 190 S C 2.169 176.743 174.600 -0.042 0.000 1.032 190 S CA 1.563 59.776 58.200 0.022 0.000 1.005 190 S CB -0.573 62.565 63.200 -0.102 0.000 0.867 190 S HN 0.433 nan 8.310 nan 0.000 0.449 191 L N 0.817 121.984 121.223 -0.093 0.000 2.012 191 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 191 L C 2.494 179.278 176.870 -0.144 0.000 1.073 191 L CA 1.160 55.939 54.840 -0.101 0.000 0.748 191 L CB -0.586 41.411 42.059 -0.104 0.000 0.891 191 L HN 0.243 nan 8.230 nan 0.000 0.431 192 V N -1.123 118.637 119.914 -0.257 0.000 2.719 192 V HA -0.220 3.900 4.120 -0.000 0.000 0.252 192 V C 1.265 177.021 176.094 -0.564 0.000 1.065 192 V CA 1.371 63.425 62.300 -0.410 0.000 1.086 192 V CB -0.684 30.836 31.823 -0.505 0.000 0.700 192 V HN 0.483 nan 8.190 nan 0.000 0.467 193 H N -0.336 118.599 119.070 -0.226 0.000 2.507 193 H HA 0.432 4.988 4.556 -0.000 0.000 0.294 193 H C 1.549 176.911 175.328 0.057 0.000 1.064 193 H CA 0.498 56.463 56.048 -0.138 0.000 1.138 193 H CB -0.014 29.640 29.762 -0.180 0.000 1.515 193 H HN 0.369 nan 8.280 nan 0.000 0.547 194 G N 1.601 110.456 108.800 0.092 0.000 2.179 194 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.257 194 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.257 194 G C -0.241 174.853 174.900 0.324 0.000 1.010 194 G CA 0.287 45.494 45.100 0.178 0.000 0.736 194 G HN 0.660 nan 8.290 nan 0.000 0.513 195 N N -2.479 116.362 118.700 0.236 0.000 3.786 195 N HA -0.114 4.626 4.740 -0.000 0.000 0.262 195 N C 0.671 176.252 175.510 0.118 0.000 2.006 195 N CA 0.591 53.726 53.050 0.142 0.000 2.353 195 N CB -1.178 37.435 38.487 0.209 0.000 0.571 195 N HN 0.438 nan 8.380 nan 0.000 0.516 196 L N 3.811 124.934 121.223 -0.166 0.000 2.362 196 L HA 0.156 4.496 4.340 -0.000 0.000 0.219 196 L C 1.800 178.476 176.870 -0.324 0.000 1.134 196 L CA 1.189 55.821 54.840 -0.346 0.000 0.807 196 L CB -0.625 41.047 42.059 -0.646 0.000 0.927 196 L HN 0.626 nan 8.230 nan 0.000 0.447 197 F N -1.706 118.083 119.950 -0.267 0.000 2.373 197 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 197 F C 1.744 177.417 175.800 -0.211 0.000 1.080 197 F CA 0.647 58.522 58.000 -0.209 0.000 1.417 197 F CB -1.108 37.713 39.000 -0.298 0.000 1.070 197 F HN 0.159 nan 8.300 nan 0.000 0.546 198 Y N -1.332 119.123 120.300 0.259 0.000 2.466 198 Y HA 0.102 4.652 4.550 -0.000 0.000 0.272 198 Y C 0.990 176.998 175.900 0.179 0.000 1.169 198 Y CA -0.538 57.745 58.100 0.304 0.000 1.285 198 Y CB -0.572 38.162 38.460 0.456 0.000 1.078 198 Y HN -0.145 nan 8.280 nan 0.000 0.523 199 N N 2.369 120.986 118.700 -0.139 0.000 2.414 199 N HA 0.083 4.823 4.740 -0.000 0.000 0.256 199 N C -1.913 173.372 175.510 -0.374 0.000 1.029 199 N CA -2.217 50.309 53.050 -0.873 0.000 0.948 199 N CB 1.496 39.087 38.487 -1.494 0.000 1.102 199 N HN -0.024 nan 8.380 nan 0.000 0.496 200 P HA -0.083 nan 4.420 nan 0.000 0.218 200 P C 1.133 178.263 177.300 -0.283 0.000 1.149 200 P CA 1.037 64.013 63.100 -0.205 0.000 0.817 200 P CB 0.041 31.628 31.700 -0.188 0.000 0.785 201 F N -0.614 119.233 119.950 -0.172 0.000 2.234 201 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 201 F C 2.850 178.630 175.800 -0.033 0.000 1.087 201 F CA 1.131 59.088 58.000 -0.071 0.000 1.340 201 F CB -1.368 37.590 39.000 -0.070 0.000 1.031 201 F HN 0.111 nan 8.300 nan 0.000 0.500 202 H N -0.010 119.039 119.070 -0.036 0.000 2.326 202 H HA -0.081 4.475 4.556 -0.000 0.000 0.301 202 H C 2.444 177.763 175.328 -0.015 0.000 1.081 202 H CA 1.476 57.509 56.048 -0.025 0.000 1.334 202 H CB -0.539 29.175 29.762 -0.081 0.000 1.385 202 H HN 0.313 nan 8.280 nan 0.000 0.504 203 G N 1.378 110.182 108.800 0.007 0.000 2.476 203 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 203 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 203 G C 2.043 176.847 174.900 -0.160 0.000 1.164 203 G CA 0.936 45.984 45.100 -0.085 0.000 0.768 203 G HN 0.357 nan 8.290 nan 0.000 0.560 204 L N 0.328 121.493 121.223 -0.097 0.000 2.046 204 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 204 L C 3.130 179.995 176.870 -0.008 0.000 1.077 204 L CA 1.344 56.131 54.840 -0.088 0.000 0.747 204 L CB -0.471 41.651 42.059 0.105 0.000 0.896 204 L HN 0.334 nan 8.230 nan 0.000 0.432 205 S N 0.062 115.810 115.700 0.080 0.000 2.370 205 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 205 S C 1.955 176.513 174.600 -0.071 0.000 1.033 205 S CA 1.322 59.589 58.200 0.111 0.000 1.011 205 S CB -0.253 62.973 63.200 0.045 0.000 0.852 205 S HN 0.277 nan 8.310 nan 0.000 0.457 206 I N 1.471 121.863 120.570 -0.296 0.000 2.226 206 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 206 I C 2.730 178.527 176.117 -0.533 0.000 1.100 206 I CA 1.099 62.094 61.300 -0.509 0.000 1.374 206 I CB -0.533 37.092 38.000 -0.626 0.000 1.057 206 I HN 0.353 nan 8.210 nan 0.000 0.413 207 A N 0.825 123.397 122.820 -0.415 0.000 1.917 207 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 207 A C 2.047 179.461 177.584 -0.284 0.000 1.182 207 A CA 1.866 53.671 52.037 -0.386 0.000 0.633 207 A CB -0.983 17.697 19.000 -0.533 0.000 0.819 207 A HN 0.363 nan 8.150 nan 0.000 0.448 208 F N -1.170 118.775 119.950 -0.007 0.000 2.259 208 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 208 F C 1.969 177.813 175.800 0.074 0.000 1.088 208 F CA 0.881 58.917 58.000 0.060 0.000 1.358 208 F CB -0.603 38.447 39.000 0.083 0.000 1.040 208 F HN 0.237 nan 8.300 nan 0.000 0.505 209 L N -1.023 120.302 121.223 0.171 0.000 2.044 209 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 209 L C 2.225 179.241 176.870 0.244 0.000 1.075 209 L CA 1.831 56.768 54.840 0.162 0.000 0.747 209 L CB -1.066 41.035 42.059 0.070 0.000 0.903 209 L HN 0.027 nan 8.230 nan 0.000 0.435 210 Y N 0.209 120.555 120.300 0.076 0.000 2.181 210 Y HA -0.056 4.494 4.550 -0.000 0.000 0.288 210 Y C 2.583 178.528 175.900 0.075 0.000 1.146 210 Y CA 0.784 58.919 58.100 0.058 0.000 1.164 210 Y CB -1.662 36.809 38.460 0.019 0.000 0.982 210 Y HN 0.261 nan 8.280 nan 0.000 0.515 211 G N -1.238 107.707 108.800 0.241 0.000 2.432 211 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 211 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 211 G C 1.914 176.931 174.900 0.194 0.000 1.135 211 G CA 1.199 46.412 45.100 0.189 0.000 0.767 211 G HN 0.391 nan 8.290 nan 0.000 0.550 212 S N 0.702 116.536 115.700 0.224 0.000 2.406 212 S HA 0.117 4.587 4.470 -0.000 0.000 0.228 212 S C 2.717 177.455 174.600 0.231 0.000 1.020 212 S CA 0.945 59.274 58.200 0.213 0.000 0.965 212 S CB -0.148 63.181 63.200 0.216 0.000 0.798 212 S HN 0.570 nan 8.310 nan 0.000 0.488 213 A N 1.556 124.504 122.820 0.213 0.000 1.872 213 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 213 A C 2.067 179.745 177.584 0.155 0.000 1.187 213 A CA 1.084 53.232 52.037 0.185 0.000 0.614 213 A CB -0.776 18.312 19.000 0.147 0.000 0.826 213 A HN 0.406 nan 8.150 nan 0.000 0.442 214 L N -0.607 120.693 121.223 0.129 0.000 1.990 214 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 214 L C 2.214 179.135 176.870 0.086 0.000 1.072 214 L CA 2.324 57.218 54.840 0.091 0.000 0.755 214 L CB -0.671 41.429 42.059 0.067 0.000 0.889 214 L HN 0.332 nan 8.230 nan 0.000 0.432 215 L N -1.959 119.321 121.223 0.095 0.000 2.156 215 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 215 L C 2.105 179.075 176.870 0.167 0.000 1.095 215 L CA 1.504 56.371 54.840 0.045 0.000 0.770 215 L CB -0.716 41.354 42.059 0.018 0.000 0.914 215 L HN 0.317 nan 8.230 nan 0.000 0.439 216 F N -0.335 119.654 119.950 0.066 0.000 2.473 216 F HA 0.217 4.744 4.527 -0.000 0.000 0.294 216 F C 2.280 178.128 175.800 0.079 0.000 1.103 216 F CA 0.407 58.465 58.000 0.097 0.000 1.442 216 F CB -0.728 38.332 39.000 0.100 0.000 1.097 216 F HN 0.138 nan 8.300 nan 0.000 0.547 217 A N 0.292 123.254 122.820 0.238 0.000 1.873 217 A HA -0.202 4.117 4.320 -0.000 0.000 0.215 217 A C 2.317 179.990 177.584 0.148 0.000 1.186 217 A CA 1.755 53.866 52.037 0.123 0.000 0.616 217 A CB -0.696 18.357 19.000 0.089 0.000 0.823 217 A HN 0.355 nan 8.150 nan 0.000 0.442 218 M N -1.749 117.947 119.600 0.159 0.000 2.082 218 M HA -0.226 4.254 4.480 -0.000 0.000 0.258 218 M C 2.336 178.769 176.300 0.222 0.000 1.071 218 M CA 2.308 57.717 55.300 0.183 0.000 1.103 218 M CB -0.573 31.972 32.600 -0.092 0.000 1.307 218 M HN 0.714 nan 8.290 nan 0.000 0.409 219 H N -0.297 118.831 119.070 0.096 0.000 2.333 219 H HA 0.001 4.557 4.556 -0.000 0.000 0.302 219 H C 1.964 177.387 175.328 0.157 0.000 1.075 219 H CA 2.071 58.175 56.048 0.093 0.000 1.348 219 H CB -0.663 29.120 29.762 0.035 0.000 1.393 219 H HN 0.313 nan 8.280 nan 0.000 0.509 220 G N 0.031 108.924 108.800 0.154 0.000 2.440 220 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 220 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 220 G C 1.907 176.758 174.900 -0.081 0.000 1.154 220 G CA 1.099 46.189 45.100 -0.017 0.000 0.767 220 G HN 0.617 nan 8.290 nan 0.000 0.552 221 A N 0.065 122.870 122.820 -0.025 0.000 1.930 221 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 221 A C 2.532 180.061 177.584 -0.091 0.000 1.175 221 A CA 2.387 54.388 52.037 -0.060 0.000 0.627 221 A CB -0.828 18.155 19.000 -0.027 0.000 0.815 221 A HN 0.299 nan 8.150 nan 0.000 0.443 222 T N 0.499 115.036 114.554 -0.029 0.000 2.701 222 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 222 T C 1.804 176.465 174.700 -0.065 0.000 1.040 222 T CA 1.401 63.485 62.100 -0.026 0.000 1.147 222 T CB -0.272 68.726 68.868 0.217 0.000 0.865 222 T HN 0.285 nan 8.240 nan 0.000 0.426 223 I N 1.189 121.689 120.570 -0.118 0.000 2.208 223 I HA -0.082 4.088 4.170 -0.000 0.000 0.245 223 I C 2.315 178.375 176.117 -0.094 0.000 1.097 223 I CA 1.266 62.497 61.300 -0.115 0.000 1.363 223 I CB -1.247 36.629 38.000 -0.205 0.000 1.051 223 I HN 0.275 nan 8.210 nan 0.000 0.413 224 L N 0.426 121.575 121.223 -0.123 0.000 2.109 224 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 224 L C 2.762 179.554 176.870 -0.129 0.000 1.086 224 L CA 1.109 55.867 54.840 -0.136 0.000 0.760 224 L CB -0.641 41.319 42.059 -0.165 0.000 0.910 224 L HN 0.164 nan 8.230 nan 0.000 0.437 225 A N 0.080 122.824 122.820 -0.126 0.000 1.978 225 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 225 A C 1.842 179.401 177.584 -0.041 0.000 1.170 225 A CA 1.942 53.908 52.037 -0.118 0.000 0.636 225 A CB -0.650 18.239 19.000 -0.184 0.000 0.810 225 A HN 0.372 nan 8.150 nan 0.000 0.448 226 V N -2.051 117.870 119.914 0.011 0.000 3.121 226 V HA 0.185 4.305 4.120 -0.000 0.000 0.344 226 V C 1.386 177.532 176.094 0.086 0.000 1.390 226 V CA 0.770 63.173 62.300 0.172 0.000 1.177 226 V CB -0.695 31.264 31.823 0.227 0.000 1.163 226 V HN 0.521 nan 8.190 nan 0.000 0.484 227 S N 2.033 117.704 115.700 -0.049 0.000 2.428 227 S HA -0.186 4.284 4.470 -0.000 0.000 0.230 227 S C 1.944 176.466 174.600 -0.131 0.000 1.014 227 S CA 1.026 59.187 58.200 -0.065 0.000 0.957 227 S CB -0.634 62.517 63.200 -0.081 0.000 0.784 227 S HN 0.852 nan 8.310 nan 0.000 0.499 228 R N 0.715 121.035 120.500 -0.299 0.000 2.293 228 R HA 0.018 4.358 4.340 -0.000 0.000 0.219 228 R C 0.261 176.176 176.300 -0.642 0.000 1.091 228 R CA 1.075 56.886 56.100 -0.482 0.000 1.004 228 R CB -0.729 29.186 30.300 -0.642 0.000 0.865 228 R HN 0.570 nan 8.270 nan 0.000 0.469 229 F N -0.054 119.895 119.950 -0.002 0.000 2.735 229 F HA 0.479 5.006 4.527 -0.000 0.000 0.304 229 F C 1.094 176.896 175.800 0.003 0.000 1.119 229 F CA -0.253 57.748 58.000 0.002 0.000 1.280 229 F CB 1.242 40.242 39.000 -0.001 0.000 0.994 229 F HN 0.160 nan 8.300 nan 0.000 0.520 230 G N 0.571 109.425 108.800 0.090 0.000 2.136 230 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.242 230 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.242 230 G C 1.405 176.350 174.900 0.075 0.000 0.989 230 G CA 0.139 45.280 45.100 0.069 0.000 0.682 230 G HN 0.685 nan 8.290 nan 0.000 0.522 231 G N 1.179 110.035 108.800 0.092 0.000 2.507 231 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.221 231 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.221 231 G C 1.471 176.406 174.900 0.058 0.000 1.119 231 G CA 1.665 46.816 45.100 0.085 0.000 0.751 231 G HN 0.936 nan 8.290 nan 0.000 0.574 232 E N 0.897 121.115 120.200 0.030 0.000 2.482 232 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 232 E C 1.000 177.618 176.600 0.030 0.000 1.047 232 E CA -0.015 56.398 56.400 0.022 0.000 0.869 232 E CB -0.197 29.499 29.700 -0.008 0.000 0.836 232 E HN 0.327 nan 8.360 nan 0.000 0.520 233 R N 1.639 122.158 120.500 0.032 0.000 4.164 233 R HA 0.135 4.475 4.340 -0.000 0.000 0.195 233 R C 0.790 177.109 176.300 0.031 0.000 1.712 233 R CA -0.017 56.097 56.100 0.024 0.000 1.457 233 R CB 0.095 30.408 30.300 0.023 0.000 1.387 233 R HN 0.259 nan 8.270 nan 0.000 0.785 234 E N 0.774 120.993 120.200 0.032 0.000 2.107 234 E HA -0.169 4.180 4.350 -0.000 0.000 0.191 234 E C 1.375 177.982 176.600 0.013 0.000 0.982 234 E CA 0.960 57.390 56.400 0.050 0.000 0.809 234 E CB 0.079 29.823 29.700 0.075 0.000 0.756 234 E HN 0.458 nan 8.360 nan 0.000 0.459 235 L N 0.750 121.958 121.223 -0.025 0.000 2.046 235 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 235 L C 2.520 179.385 176.870 -0.008 0.000 1.077 235 L CA 1.205 56.025 54.840 -0.033 0.000 0.747 235 L CB -0.184 41.846 42.059 -0.049 0.000 0.896 235 L HN 0.091 nan 8.230 nan 0.000 0.432 236 E N -0.591 119.609 120.200 0.002 0.000 2.216 236 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 236 E C 2.227 178.839 176.600 0.021 0.000 0.988 236 E CA 0.577 56.982 56.400 0.009 0.000 0.834 236 E CB 0.137 29.843 29.700 0.009 0.000 0.772 236 E HN 0.313 nan 8.360 nan 0.000 0.479 237 Q N -0.081 119.738 119.800 0.032 0.000 2.226 237 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 237 Q C 2.203 178.228 176.000 0.041 0.000 0.975 237 Q CA 0.973 56.801 55.803 0.042 0.000 0.866 237 Q CB -0.011 28.764 28.738 0.061 0.000 0.915 237 Q HN 0.445 nan 8.270 nan 0.000 0.440 238 I N 0.424 121.015 120.570 0.036 0.000 2.252 238 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 238 I C 2.236 178.367 176.117 0.024 0.000 1.102 238 I CA 1.118 62.439 61.300 0.034 0.000 1.385 238 I CB -0.234 37.779 38.000 0.022 0.000 1.064 238 I HN 0.051 nan 8.210 nan 0.000 0.414 239 A N -1.065 121.765 122.820 0.015 0.000 2.067 239 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 239 A C 0.666 178.258 177.584 0.014 0.000 1.156 239 A CA 1.110 53.154 52.037 0.011 0.000 0.683 239 A CB 0.001 19.003 19.000 0.004 0.000 0.808 239 A HN 0.387 nan 8.150 nan 0.000 0.455 240 D N -1.034 119.377 120.400 0.018 0.000 2.445 240 D HA 0.117 4.756 4.640 -0.000 0.000 0.236 240 D C -0.500 175.812 176.300 0.020 0.000 1.315 240 D CA -0.415 53.595 54.000 0.017 0.000 0.924 240 D CB 0.065 40.874 40.800 0.015 0.000 1.447 240 D HN 0.226 nan 8.370 nan 0.000 0.532 241 R N 1.203 121.715 120.500 0.021 0.000 2.523 241 R HA 0.364 4.704 4.340 -0.000 0.000 0.281 241 R C 0.352 176.660 176.300 0.012 0.000 0.969 241 R CA 0.661 56.773 56.100 0.021 0.000 1.093 241 R CB 0.357 30.668 30.300 0.019 0.000 0.917 241 R HN 0.394 nan 8.270 nan 0.000 0.408 242 G N 0.527 109.334 108.800 0.011 0.000 2.735 242 G HA2 0.100 4.060 3.960 -0.000 0.000 0.301 242 G HA3 0.100 4.060 3.960 -0.000 0.000 0.301 242 G C 0.402 175.279 174.900 -0.038 0.000 1.279 242 G CA -0.382 44.718 45.100 0.001 0.000 1.019 242 G HN 0.571 nan 8.290 nan 0.000 0.497 243 T N -0.367 114.139 114.554 -0.079 0.000 2.929 243 T HA -0.017 4.333 4.350 -0.000 0.000 0.271 243 T C 2.510 177.030 174.700 -0.299 0.000 1.085 243 T CA 2.226 64.202 62.100 -0.207 0.000 1.125 243 T CB -0.504 68.184 68.868 -0.299 0.000 0.874 243 T HN 0.655 nan 8.240 nan 0.000 0.494 244 A N 1.241 123.981 122.820 -0.134 0.000 1.851 244 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 244 A C 2.739 180.317 177.584 -0.010 0.000 1.195 244 A CA 2.083 54.122 52.037 0.003 0.000 0.622 244 A CB -1.446 17.640 19.000 0.143 0.000 0.831 244 A HN 0.631 nan 8.150 nan 0.000 0.444 245 A N -0.472 122.352 122.820 0.007 0.000 1.933 245 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 245 A C 1.923 179.500 177.584 -0.011 0.000 1.175 245 A CA 1.685 53.737 52.037 0.025 0.000 0.628 245 A CB -0.508 18.515 19.000 0.038 0.000 0.814 245 A HN 0.679 nan 8.150 nan 0.000 0.444 246 E N -0.556 119.607 120.200 -0.062 0.000 2.072 246 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 246 E C 2.289 178.801 176.600 -0.148 0.000 0.982 246 E CA 0.845 57.191 56.400 -0.091 0.000 0.803 246 E CB -0.149 29.492 29.700 -0.098 0.000 0.755 246 E HN 0.551 nan 8.360 nan 0.000 0.453 247 R N 0.797 121.183 120.500 -0.190 0.000 2.096 247 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 247 R C 2.371 178.593 176.300 -0.131 0.000 1.127 247 R CA 1.082 57.053 56.100 -0.215 0.000 0.968 247 R CB -0.289 29.857 30.300 -0.257 0.000 0.861 247 R HN 0.093 nan 8.270 nan 0.000 0.440 248 A N 1.420 124.215 122.820 -0.041 0.000 1.858 248 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 248 A C 2.407 180.074 177.584 0.138 0.000 1.190 248 A CA 1.761 53.838 52.037 0.065 0.000 0.617 248 A CB -0.839 18.227 19.000 0.109 0.000 0.827 248 A HN 0.388 nan 8.150 nan 0.000 0.443 249 A N -0.522 122.336 122.820 0.064 0.000 1.908 249 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 249 A C 2.168 179.719 177.584 -0.056 0.000 1.181 249 A CA 1.623 53.696 52.037 0.059 0.000 0.627 249 A CB -0.591 18.420 19.000 0.017 0.000 0.818 249 A HN 0.476 nan 8.150 nan 0.000 0.445 250 L N -2.204 118.868 121.223 -0.252 0.000 2.240 250 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 250 L C 2.346 178.741 176.870 -0.791 0.000 1.106 250 L CA 0.826 55.275 54.840 -0.651 0.000 0.793 250 L CB -0.420 41.090 42.059 -0.915 0.000 0.927 250 L HN 0.514 nan 8.230 nan 0.000 0.446 251 F N 0.047 119.650 119.950 -0.578 0.000 2.091 251 F HA -0.288 4.239 4.527 -0.000 0.000 0.299 251 F C 1.907 177.414 175.800 -0.488 0.000 1.103 251 F CA 1.856 59.525 58.000 -0.553 0.000 1.228 251 F CB -0.301 38.315 39.000 -0.640 0.000 0.984 251 F HN -0.000 nan 8.300 nan 0.000 0.477 252 W N 0.054 121.280 121.300 -0.123 0.000 2.523 252 W HA 0.076 4.736 4.660 -0.000 0.000 0.278 252 W C 2.743 179.127 176.519 -0.224 0.000 1.236 252 W CA 0.704 57.949 57.345 -0.167 0.000 1.306 252 W CB -0.378 29.016 29.460 -0.109 0.000 1.101 252 W HN -0.154 nan 8.180 nan 0.000 0.577 253 R N -0.152 120.346 120.500 -0.003 0.000 2.073 253 R HA -0.187 4.153 4.340 -0.000 0.000 0.234 253 R C 1.927 178.328 176.300 0.169 0.000 1.134 253 R CA 2.118 58.255 56.100 0.062 0.000 0.952 253 R CB -0.664 29.663 30.300 0.045 0.000 0.850 253 R HN 0.105 nan 8.270 nan 0.000 0.433 254 W N 0.291 121.513 121.300 -0.130 0.000 2.402 254 W HA -0.009 4.651 4.660 -0.000 0.000 0.286 254 W C 2.122 178.507 176.519 -0.223 0.000 1.221 254 W CA 1.009 58.252 57.345 -0.169 0.000 1.257 254 W CB -1.091 28.242 29.460 -0.211 0.000 1.120 254 W HN 0.149 nan 8.180 nan 0.000 0.551 255 T N 0.757 115.231 114.554 -0.134 0.000 2.735 255 T HA -0.121 4.229 4.350 -0.000 0.000 0.256 255 T C 1.701 176.404 174.700 0.004 0.000 1.042 255 T CA 1.906 63.891 62.100 -0.191 0.000 1.147 255 T CB -0.328 68.234 68.868 -0.510 0.000 0.865 255 T HN 0.210 nan 8.240 nan 0.000 0.421 256 M N -0.745 118.900 119.600 0.074 0.000 2.306 256 M HA 0.599 5.079 4.480 -0.000 0.000 0.292 256 M C 1.274 177.712 176.300 0.230 0.000 1.018 256 M CA 0.278 55.665 55.300 0.144 0.000 1.007 256 M CB 1.011 33.700 32.600 0.147 0.000 1.510 256 M HN 0.316 nan 8.290 nan 0.000 0.537 257 G N 2.049 110.966 108.800 0.196 0.000 2.176 257 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 257 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 257 G C -0.217 174.916 174.900 0.389 0.000 0.979 257 G CA 0.456 45.715 45.100 0.264 0.000 0.641 257 G HN 0.843 nan 8.290 nan 0.000 0.530 258 F N -0.507 119.499 119.950 0.094 0.000 2.779 258 F HA 0.778 5.305 4.527 -0.000 0.000 0.316 258 F C -0.825 175.030 175.800 0.091 0.000 1.164 258 F CA -1.233 56.816 58.000 0.082 0.000 0.924 258 F CB 0.692 39.728 39.000 0.060 0.000 1.348 258 F HN 0.452 nan 8.300 nan 0.000 0.467 259 N N 0.952 119.659 118.700 0.012 0.000 3.106 259 N HA 0.722 5.462 4.740 -0.000 0.000 0.253 259 N C -1.876 173.672 175.510 0.063 0.000 1.506 259 N CA -0.556 52.450 53.050 -0.073 0.000 0.876 259 N CB 1.782 40.293 38.487 0.040 0.000 1.452 259 N HN 1.123 nan 8.380 nan 0.000 0.542 260 A N -0.175 122.668 122.820 0.039 0.000 2.468 260 A HA 0.846 5.166 4.320 -0.000 0.000 0.277 260 A C 0.005 177.659 177.584 0.116 0.000 1.203 260 A CA -0.164 51.948 52.037 0.125 0.000 0.932 260 A CB 0.644 19.675 19.000 0.052 0.000 1.438 260 A HN 0.888 nan 8.150 nan 0.000 0.468 261 T N -3.033 111.597 114.554 0.127 0.000 2.927 261 T HA 0.450 4.799 4.350 -0.000 0.000 0.286 261 T C 1.026 175.794 174.700 0.113 0.000 1.040 261 T CA -0.714 61.450 62.100 0.106 0.000 1.010 261 T CB 0.883 69.811 68.868 0.100 0.000 1.177 261 T HN 0.348 nan 8.240 nan 0.000 0.546 262 M N 0.287 119.961 119.600 0.123 0.000 2.117 262 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 262 M C 2.179 178.623 176.300 0.240 0.000 1.065 262 M CA 1.773 57.178 55.300 0.175 0.000 1.114 262 M CB -1.135 31.557 32.600 0.153 0.000 1.361 262 M HN 0.950 nan 8.290 nan 0.000 0.408 263 E N -0.376 119.924 120.200 0.168 0.000 2.046 263 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 263 E C 2.005 178.714 176.600 0.183 0.000 0.982 263 E CA 1.216 57.718 56.400 0.171 0.000 0.800 263 E CB -0.172 29.579 29.700 0.085 0.000 0.756 263 E HN 0.502 nan 8.360 nan 0.000 0.449 264 G N 1.285 110.163 108.800 0.130 0.000 2.448 264 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 264 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 264 G C 1.513 176.497 174.900 0.141 0.000 1.127 264 G CA 0.674 45.842 45.100 0.114 0.000 0.766 264 G HN 0.329 nan 8.290 nan 0.000 0.552 265 I N 0.737 121.347 120.570 0.067 0.000 2.361 265 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 265 I C 2.299 178.245 176.117 -0.286 0.000 1.133 265 I CA 1.010 62.255 61.300 -0.091 0.000 1.413 265 I CB -0.404 37.375 38.000 -0.369 0.000 1.073 265 I HN 0.293 nan 8.210 nan 0.000 0.424 266 H N -0.267 118.759 119.070 -0.073 0.000 2.457 266 H HA 0.035 4.590 4.556 -0.000 0.000 0.294 266 H C 2.258 177.572 175.328 -0.024 0.000 1.064 266 H CA 1.216 57.207 56.048 -0.095 0.000 1.330 266 H CB -0.115 29.592 29.762 -0.092 0.000 1.395 266 H HN 0.299 nan 8.280 nan 0.000 0.541 267 R N -0.474 120.084 120.500 0.096 0.000 2.075 267 R HA -0.101 4.239 4.340 -0.000 0.000 0.226 267 R C 1.661 178.056 176.300 0.158 0.000 1.114 267 R CA 1.192 57.363 56.100 0.118 0.000 0.972 267 R CB -0.381 29.954 30.300 0.059 0.000 0.869 267 R HN 0.365 nan 8.270 nan 0.000 0.437 268 W N 1.423 122.771 121.300 0.080 0.000 2.321 268 W HA -0.239 4.421 4.660 -0.000 0.000 0.306 268 W C 2.609 179.147 176.519 0.032 0.000 1.217 268 W CA 1.350 58.730 57.345 0.058 0.000 1.257 268 W CB -0.402 29.037 29.460 -0.034 0.000 1.145 268 W HN 0.206 nan 8.180 nan 0.000 0.509 269 A N 0.247 123.155 122.820 0.146 0.000 1.851 269 A HA -0.234 4.085 4.320 -0.000 0.000 0.216 269 A C 1.935 179.528 177.584 0.016 0.000 1.195 269 A CA 1.855 53.883 52.037 -0.016 0.000 0.622 269 A CB -1.172 17.698 19.000 -0.216 0.000 0.831 269 A HN 0.343 nan 8.150 nan 0.000 0.444 270 I N -2.162 118.405 120.570 -0.005 0.000 2.264 270 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 270 I C 2.247 178.294 176.117 -0.116 0.000 1.111 270 I CA 1.526 62.769 61.300 -0.095 0.000 1.382 270 I CB -0.089 37.809 38.000 -0.171 0.000 1.060 270 I HN 0.624 nan 8.210 nan 0.000 0.418 271 W N -0.377 120.924 121.300 0.001 0.000 2.476 271 W HA -0.128 4.532 4.660 -0.000 0.000 0.281 271 W C 2.384 178.865 176.519 -0.063 0.000 1.230 271 W CA 0.510 57.831 57.345 -0.039 0.000 1.287 271 W CB -0.227 29.194 29.460 -0.065 0.000 1.108 271 W HN 0.134 nan 8.180 nan 0.000 0.567 272 M N 1.139 120.894 119.600 0.257 0.000 2.065 272 M HA -0.121 4.359 4.480 -0.000 0.000 0.259 272 M C 2.169 178.555 176.300 0.143 0.000 1.069 272 M CA 2.479 57.924 55.300 0.242 0.000 1.110 272 M CB -0.966 31.800 32.600 0.277 0.000 1.328 272 M HN -0.048 nan 8.290 nan 0.000 0.405 273 A N -0.941 121.942 122.820 0.104 0.000 1.851 273 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 273 A C 2.206 179.818 177.584 0.048 0.000 1.195 273 A CA 2.187 54.275 52.037 0.084 0.000 0.622 273 A CB -1.408 17.624 19.000 0.052 0.000 0.831 273 A HN 0.383 nan 8.150 nan 0.000 0.444 274 V N -0.058 119.852 119.914 -0.007 0.000 2.594 274 V HA -0.189 3.931 4.120 -0.000 0.000 0.253 274 V C 2.366 178.452 176.094 -0.013 0.000 1.069 274 V CA 1.729 64.014 62.300 -0.026 0.000 1.082 274 V CB -0.551 31.169 31.823 -0.170 0.000 0.680 274 V HN 0.536 nan 8.190 nan 0.000 0.469 275 L N -1.159 119.996 121.223 -0.112 0.000 2.395 275 L HA -0.044 4.295 4.340 -0.000 0.000 0.218 275 L C 2.253 179.046 176.870 -0.128 0.000 1.130 275 L CA 0.231 54.899 54.840 -0.287 0.000 0.826 275 L CB -0.325 41.116 42.059 -1.030 0.000 0.941 275 L HN 0.182 nan 8.230 nan 0.000 0.451 276 V N 0.197 120.129 119.914 0.031 0.000 2.219 276 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 276 V C 2.630 178.824 176.094 0.167 0.000 1.053 276 V CA 2.726 65.132 62.300 0.177 0.000 1.009 276 V CB -1.071 30.853 31.823 0.168 0.000 0.636 276 V HN 0.658 nan 8.190 nan 0.000 0.445 277 T N -2.120 112.528 114.554 0.156 0.000 3.023 277 T HA 0.056 4.405 4.350 -0.000 0.000 0.266 277 T C 1.797 176.675 174.700 0.297 0.000 1.093 277 T CA 0.836 63.052 62.100 0.194 0.000 1.129 277 T CB -0.251 68.731 68.868 0.191 0.000 0.899 277 T HN 0.311 nan 8.240 nan 0.000 0.491 278 L N 1.825 123.200 121.223 0.253 0.000 2.023 278 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 278 L C 3.324 180.380 176.870 0.311 0.000 1.073 278 L CA 1.771 56.784 54.840 0.288 0.000 0.745 278 L CB -1.008 41.106 42.059 0.092 0.000 0.900 278 L HN 0.461 nan 8.230 nan 0.000 0.435 279 T N -3.174 111.531 114.554 0.252 0.000 2.821 279 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 279 T C 1.956 176.805 174.700 0.248 0.000 1.046 279 T CA 0.888 63.175 62.100 0.312 0.000 1.139 279 T CB -0.947 68.195 68.868 0.456 0.000 0.871 279 T HN 0.365 nan 8.240 nan 0.000 0.454 280 G N 1.515 110.446 108.800 0.218 0.000 2.459 280 G HA2 0.001 3.961 3.960 -0.000 0.000 0.217 280 G HA3 0.001 3.961 3.960 -0.000 0.000 0.217 280 G C 1.753 176.693 174.900 0.068 0.000 1.183 280 G CA 0.725 45.910 45.100 0.142 0.000 0.776 280 G HN 0.665 nan 8.290 nan 0.000 0.552 281 G N 0.610 109.447 108.800 0.062 0.000 2.422 281 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.218 281 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.218 281 G C 1.760 176.610 174.900 -0.083 0.000 1.140 281 G CA 0.705 45.669 45.100 -0.227 0.000 0.775 281 G HN 0.460 nan 8.290 nan 0.000 0.545 282 I N 1.181 121.826 120.570 0.124 0.000 2.163 282 I HA -0.068 4.101 4.170 -0.000 0.000 0.240 282 I C 3.141 179.144 176.117 -0.189 0.000 1.081 282 I CA 0.995 62.243 61.300 -0.086 0.000 1.353 282 I CB -0.614 37.075 38.000 -0.518 0.000 1.054 282 I HN 0.227 nan 8.210 nan 0.000 0.407 283 G N 1.655 110.361 108.800 -0.156 0.000 2.505 283 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.220 283 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.220 283 G C 1.556 176.500 174.900 0.075 0.000 1.145 283 G CA 0.908 46.007 45.100 -0.002 0.000 0.761 283 G HN 0.215 nan 8.290 nan 0.000 0.571 284 I N 0.200 120.791 120.570 0.034 0.000 2.233 284 I HA -0.001 4.169 4.170 -0.000 0.000 0.243 284 I C 2.621 178.788 176.117 0.082 0.000 1.093 284 I CA 0.518 61.856 61.300 0.062 0.000 1.380 284 I CB -1.204 36.747 38.000 -0.081 0.000 1.067 284 I HN 0.146 nan 8.210 nan 0.000 0.413 285 L N 0.922 122.137 121.223 -0.012 0.000 2.079 285 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 285 L C 2.269 179.171 176.870 0.053 0.000 1.081 285 L CA 1.756 56.592 54.840 -0.006 0.000 0.752 285 L CB -0.622 41.416 42.059 -0.033 0.000 0.896 285 L HN 0.135 nan 8.230 nan 0.000 0.433 286 L N -1.230 120.049 121.223 0.094 0.000 2.291 286 L HA -0.019 4.321 4.340 -0.000 0.000 0.214 286 L C 0.907 177.832 176.870 0.092 0.000 1.120 286 L CA 0.017 54.926 54.840 0.115 0.000 0.799 286 L CB -0.416 41.770 42.059 0.211 0.000 0.925 286 L HN 0.062 nan 8.230 nan 0.000 0.446 287 S N 0.427 116.221 115.700 0.156 0.000 2.443 287 S HA 0.355 4.825 4.470 -0.000 0.000 0.284 287 S C 1.136 175.649 174.600 -0.145 0.000 1.206 287 S CA 0.397 58.597 58.200 -0.001 0.000 1.074 287 S CB 0.798 63.984 63.200 -0.023 0.000 0.963 287 S HN 0.554 nan 8.310 nan 0.000 0.501 288 G N 3.051 111.796 108.800 -0.090 0.000 2.205 288 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.261 288 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.261 288 G C 0.895 175.791 174.900 -0.006 0.000 0.980 288 G CA 0.822 45.935 45.100 0.021 0.000 0.632 288 G HN 0.799 nan 8.290 nan 0.000 0.533 289 T N -3.059 111.483 114.554 -0.019 0.000 3.004 289 T HA 0.408 4.758 4.350 -0.000 0.000 0.243 289 T C 1.996 176.679 174.700 -0.028 0.000 1.020 289 T CA 1.719 63.812 62.100 -0.012 0.000 1.145 289 T CB 0.254 69.126 68.868 0.006 0.000 0.876 289 T HN 0.548 nan 8.240 nan 0.000 0.449 290 V N 0.243 120.125 119.914 -0.053 0.000 3.359 290 V HA 0.389 4.509 4.120 -0.000 0.000 0.245 290 V C 0.052 176.061 176.094 -0.141 0.000 1.247 290 V CA -0.030 62.232 62.300 -0.063 0.000 1.145 290 V CB 1.313 33.114 31.823 -0.037 0.000 0.906 290 V HN 0.324 nan 8.190 nan 0.000 0.464 291 V N 0.973 120.720 119.914 -0.278 0.000 2.443 291 V HA 0.427 4.547 4.120 -0.000 0.000 0.293 291 V C 0.057 175.907 176.094 -0.407 0.000 1.021 291 V CA -0.427 61.573 62.300 -0.501 0.000 0.848 291 V CB 1.650 32.711 31.823 -1.270 0.000 0.998 291 V HN 0.247 nan 8.190 nan 0.000 0.424 292 D N 2.285 122.540 120.400 -0.241 0.000 2.305 292 D HA 0.052 4.692 4.640 -0.000 0.000 0.206 292 D C 0.610 176.827 176.300 -0.137 0.000 0.974 292 D CA 0.924 54.847 54.000 -0.127 0.000 0.871 292 D CB 0.389 41.133 40.800 -0.093 0.000 0.947 292 D HN 0.491 nan 8.370 nan 0.000 0.516 293 N N -0.487 118.086 118.700 -0.212 0.000 2.599 293 N HA -0.001 4.739 4.740 -0.000 0.000 0.283 293 N C -0.208 175.295 175.510 -0.012 0.000 1.160 293 N CA -0.380 52.636 53.050 -0.058 0.000 0.869 293 N CB 0.311 38.811 38.487 0.021 0.000 1.448 293 N HN -0.129 nan 8.380 nan 0.000 0.535 294 W N 1.894 123.329 121.300 0.226 0.000 2.388 294 W HA -0.112 4.548 4.660 -0.000 0.000 0.294 294 W C 1.835 178.563 176.519 0.348 0.000 1.212 294 W CA 0.567 58.093 57.345 0.302 0.000 1.271 294 W CB -0.342 29.280 29.460 0.271 0.000 1.126 294 W HN 0.658 nan 8.180 nan 0.000 0.535 295 Y N 0.962 121.425 120.300 0.272 0.000 2.069 295 Y HA -0.352 4.198 4.550 -0.000 0.000 0.278 295 Y C 2.271 178.148 175.900 -0.039 0.000 1.175 295 Y CA 2.240 60.216 58.100 -0.207 0.000 1.134 295 Y CB -0.993 37.309 38.460 -0.264 0.000 0.965 295 Y HN -0.212 nan 8.280 nan 0.000 0.498 296 V N -0.799 119.126 119.914 0.017 0.000 2.343 296 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 296 V C 2.101 178.179 176.094 -0.027 0.000 1.051 296 V CA 2.012 64.260 62.300 -0.088 0.000 1.036 296 V CB -1.109 30.727 31.823 0.023 0.000 0.654 296 V HN 0.722 nan 8.190 nan 0.000 0.451 297 W N 1.392 122.664 121.300 -0.046 0.000 2.355 297 W HA -0.103 4.556 4.660 -0.000 0.000 0.309 297 W C 2.315 178.924 176.519 0.150 0.000 1.206 297 W CA 1.840 59.233 57.345 0.080 0.000 1.284 297 W CB -0.680 28.785 29.460 0.009 0.000 1.145 297 W HN 0.241 nan 8.180 nan 0.000 0.502 298 G N -0.336 108.663 108.800 0.332 0.000 2.470 298 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 298 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 298 G C 1.391 176.189 174.900 -0.169 0.000 1.121 298 G CA 0.795 45.976 45.100 0.134 0.000 0.766 298 G HN 0.298 nan 8.290 nan 0.000 0.553 299 Q N 0.311 119.938 119.800 -0.287 0.000 2.311 299 Q HA 0.039 4.379 4.340 -0.000 0.000 0.203 299 Q C 1.559 177.364 176.000 -0.324 0.000 0.954 299 Q CA 0.532 56.139 55.803 -0.326 0.000 0.885 299 Q CB -0.012 28.486 28.738 -0.399 0.000 0.963 299 Q HN 0.474 nan 8.270 nan 0.000 0.471 300 N N -0.043 118.400 118.700 -0.428 0.000 2.236 300 N HA -0.001 4.739 4.740 -0.000 0.000 0.196 300 N C -0.317 174.584 175.510 -1.015 0.000 1.114 300 N CA 0.283 52.945 53.050 -0.646 0.000 0.859 300 N CB 0.630 38.709 38.487 -0.680 0.000 0.982 300 N HN 0.233 nan 8.380 nan 0.000 0.493 301 H N -0.165 118.586 119.070 -0.531 0.000 2.562 301 H HA 0.270 4.826 4.556 -0.000 0.000 0.230 301 H C 0.812 175.894 175.328 -0.411 0.000 1.415 301 H CA -0.157 55.527 56.048 -0.606 0.000 1.454 301 H CB 0.526 29.533 29.762 -1.258 0.000 1.716 301 H HN 0.175 nan 8.280 nan 0.000 0.538 302 G N 0.000 108.699 108.800 -0.168 0.000 5.446 302 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 302 G CA 0.000 45.052 45.100 -0.080 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925