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 1yf6_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 FHDLSIAFLF GSAHLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNW TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE H 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 0.000 177.611 177.584 0.044 0.000 1.274 1 A CA 0.000 52.056 52.037 0.032 0.000 0.836 1 A CB 0.000 19.012 19.000 0.021 0.000 0.831 2 E N 0.057 120.288 120.200 0.053 0.000 2.182 2 E HA 0.546 4.896 4.350 -0.000 0.000 0.258 2 E C -0.902 175.761 176.600 0.104 0.000 0.879 2 E CA -0.682 55.757 56.400 0.064 0.000 0.754 2 E CB 0.591 30.308 29.700 0.028 0.000 1.162 2 E HN 0.280 nan 8.360 nan 0.000 0.419 3 Y N 3.282 123.576 120.300 -0.010 0.000 2.597 3 Y HA 0.019 4.569 4.550 -0.000 0.000 0.336 3 Y C 0.539 176.429 175.900 -0.016 0.000 1.216 3 Y CA 0.654 58.752 58.100 -0.003 0.000 1.463 3 Y CB 0.940 39.398 38.460 -0.003 0.000 1.303 3 Y HN 0.581 nan 8.280 nan 0.000 0.576 4 Q N 3.295 122.791 119.800 -0.507 0.000 2.246 4 Q HA 0.022 4.362 4.340 -0.000 0.000 0.222 4 Q C 0.266 175.864 176.000 -0.670 0.000 0.851 4 Q CA 0.416 55.946 55.803 -0.455 0.000 0.945 4 Q CB -0.030 28.563 28.738 -0.241 0.000 1.122 4 Q HN 0.874 nan 8.270 nan 0.000 0.508 5 N N 0.348 118.221 118.700 -1.379 0.000 2.754 5 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 5 N C 0.245 175.508 175.510 -0.413 0.000 1.093 5 N CA 0.301 52.810 53.050 -0.902 0.000 0.699 5 N CB -0.855 37.357 38.487 -0.457 0.000 1.016 5 N HN 0.165 nan 8.380 nan 0.000 0.552 6 I N -1.385 118.964 120.570 -0.367 0.000 2.628 6 I HA 0.141 4.311 4.170 -0.000 0.000 0.255 6 I C 0.649 176.535 176.117 -0.384 0.000 1.119 6 I CA 1.033 62.112 61.300 -0.369 0.000 1.448 6 I CB -0.514 37.252 38.000 -0.390 0.000 1.133 6 I HN 0.038 nan 8.210 nan 0.000 0.438 7 F N 0.207 120.235 119.950 0.130 0.000 2.546 7 F HA 0.409 4.936 4.527 -0.000 0.000 0.320 7 F C 0.760 176.781 175.800 0.368 0.000 1.076 7 F CA -0.943 57.219 58.000 0.271 0.000 0.928 7 F CB 1.357 40.496 39.000 0.231 0.000 1.189 7 F HN -0.330 nan 8.300 nan 0.000 0.465 8 S N 1.356 117.427 115.700 0.618 0.000 2.580 8 S HA 0.159 4.629 4.470 -0.000 0.000 0.274 8 S C 0.825 175.730 174.600 0.507 0.000 1.329 8 S CA -0.577 57.923 58.200 0.500 0.000 1.036 8 S CB 1.372 64.777 63.200 0.341 0.000 0.919 8 S HN 0.700 nan 8.310 nan 0.000 0.515 9 Q N 0.454 120.402 119.800 0.247 0.000 2.123 9 Q HA 0.156 4.496 4.340 -0.000 0.000 0.196 9 Q C 0.222 176.365 176.000 0.238 0.000 0.958 9 Q CA 0.679 56.565 55.803 0.138 0.000 0.841 9 Q CB 0.298 28.935 28.738 -0.169 0.000 0.915 9 Q HN 0.458 nan 8.270 nan 0.000 0.455 10 V N 0.687 120.690 119.914 0.147 0.000 2.686 10 V HA 0.265 4.385 4.120 -0.000 0.000 0.306 10 V C -1.679 174.423 176.094 0.014 0.000 1.065 10 V CA -0.656 61.700 62.300 0.093 0.000 0.894 10 V CB 2.039 33.880 31.823 0.031 0.000 1.004 10 V HN 0.129 nan 8.190 nan 0.000 0.424 11 Q N 3.731 123.480 119.800 -0.085 0.000 2.235 11 Q HA 0.746 5.086 4.340 -0.000 0.000 0.256 11 Q C -0.845 175.099 176.000 -0.094 0.000 0.951 11 Q CA -0.674 55.043 55.803 -0.144 0.000 0.890 11 Q CB 2.381 30.925 28.738 -0.324 0.000 1.279 11 Q HN 0.830 nan 8.270 nan 0.000 0.444 12 V N -0.642 119.230 119.914 -0.070 0.000 2.914 12 V HA 0.817 4.937 4.120 -0.000 0.000 0.314 12 V C -0.925 175.136 176.094 -0.055 0.000 1.084 12 V CA -1.012 61.255 62.300 -0.056 0.000 0.963 12 V CB 2.121 33.923 31.823 -0.035 0.000 1.025 12 V HN 0.779 nan 8.190 nan 0.000 0.432 13 R N 1.114 121.572 120.500 -0.069 0.000 2.725 13 R HA 0.833 5.173 4.340 -0.000 0.000 0.277 13 R C -0.149 176.101 176.300 -0.084 0.000 0.987 13 R CA 0.295 56.345 56.100 -0.083 0.000 0.901 13 R CB 2.315 32.516 30.300 -0.165 0.000 1.207 13 R HN 1.306 nan 8.270 nan 0.000 0.463 14 G N 1.858 110.619 108.800 -0.065 0.000 3.086 14 G HA2 0.540 4.500 3.960 -0.000 0.000 0.282 14 G HA3 0.540 4.500 3.960 -0.000 0.000 0.282 14 G C -2.545 172.324 174.900 -0.051 0.000 1.343 14 G CA -1.154 43.914 45.100 -0.052 0.000 0.895 14 G HN 0.478 nan 8.290 nan 0.000 0.557 15 P HA 0.406 nan 4.420 nan 0.000 0.266 15 P C 0.174 177.521 177.300 0.077 0.000 1.195 15 P CA 0.030 63.132 63.100 0.003 0.000 0.768 15 P CB 0.633 32.337 31.700 0.006 0.000 0.838 16 A N 2.283 125.193 122.820 0.150 0.000 2.565 16 A HA -0.003 4.317 4.320 -0.000 0.000 0.237 16 A C 0.476 178.138 177.584 0.129 0.000 1.053 16 A CA 0.252 52.453 52.037 0.274 0.000 0.755 16 A CB -0.289 18.880 19.000 0.282 0.000 0.980 16 A HN 0.541 nan 8.150 nan 0.000 0.506 17 D N 2.627 123.089 120.400 0.104 0.000 2.365 17 D HA 0.280 4.919 4.640 -0.000 0.000 0.237 17 D C 0.784 177.096 176.300 0.021 0.000 1.190 17 D CA -0.082 53.946 54.000 0.047 0.000 0.867 17 D CB 0.629 41.449 40.800 0.034 0.000 1.050 17 D HN 0.495 nan 8.370 nan 0.000 0.491 18 L N 2.941 124.175 121.223 0.018 0.000 2.599 18 L HA 0.205 4.544 4.340 -0.000 0.000 0.230 18 L C 1.450 178.321 176.870 0.001 0.000 1.141 18 L CA 0.177 55.022 54.840 0.009 0.000 0.877 18 L CB -0.660 41.406 42.059 0.012 0.000 1.009 18 L HN 0.583 nan 8.230 nan 0.000 0.447 19 G N 0.158 108.957 108.800 -0.003 0.000 2.795 19 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.664 19 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.664 19 G C -0.334 174.557 174.900 -0.015 0.000 1.381 19 G CA -0.918 44.175 45.100 -0.012 0.000 0.853 19 G HN -0.124 nan 8.290 nan 0.000 0.545 20 M N 0.326 119.911 119.600 -0.025 0.000 2.243 20 M HA 0.287 4.767 4.480 -0.000 0.000 0.341 20 M C 1.730 178.013 176.300 -0.029 0.000 1.130 20 M CA 0.552 55.834 55.300 -0.029 0.000 1.162 20 M CB 0.222 32.798 32.600 -0.041 0.000 1.497 20 M HN 0.702 nan 8.290 nan 0.000 0.456 21 T N 0.104 114.642 114.554 -0.025 0.000 2.898 21 T HA 0.031 4.381 4.350 -0.000 0.000 0.241 21 T C 0.613 175.292 174.700 -0.034 0.000 1.024 21 T CA 0.171 62.259 62.100 -0.021 0.000 1.174 21 T CB 0.203 69.063 68.868 -0.013 0.000 0.873 21 T HN 0.607 nan 8.240 nan 0.000 0.422 22 E N 1.040 121.219 120.200 -0.036 0.000 3.401 22 E HA -0.198 4.152 4.350 -0.000 0.000 0.352 22 E C 0.012 176.587 176.600 -0.041 0.000 1.523 22 E CA 1.513 57.887 56.400 -0.044 0.000 1.794 22 E CB -1.254 28.409 29.700 -0.062 0.000 1.792 22 E HN 0.385 nan 8.360 nan 0.000 0.471 23 D N 0.994 121.362 120.400 -0.053 0.000 2.358 23 D HA 0.178 4.818 4.640 -0.000 0.000 0.224 23 D C -0.137 176.135 176.300 -0.046 0.000 1.123 23 D CA 0.106 54.078 54.000 -0.046 0.000 0.833 23 D CB 0.149 40.918 40.800 -0.051 0.000 0.946 23 D HN -0.051 nan 8.370 nan 0.000 0.505 24 V N 1.938 121.823 119.914 -0.048 0.000 2.614 24 V HA -0.008 4.111 4.120 -0.000 0.000 0.291 24 V C 0.890 177.017 176.094 0.053 0.000 1.049 24 V CA -0.666 61.616 62.300 -0.029 0.000 1.038 24 V CB 1.111 32.908 31.823 -0.044 0.000 0.980 24 V HN 0.081 nan 8.190 nan 0.000 0.481 25 N N 4.343 123.124 118.700 0.134 0.000 2.421 25 N HA 0.059 4.799 4.740 -0.000 0.000 0.260 25 N C 0.640 176.230 175.510 0.134 0.000 1.173 25 N CA -0.228 52.896 53.050 0.124 0.000 0.960 25 N CB 0.681 39.248 38.487 0.133 0.000 1.273 25 N HN 0.514 nan 8.380 nan 0.000 0.497 26 L N 3.280 124.543 121.223 0.068 0.000 2.261 26 L HA -0.118 4.222 4.340 -0.000 0.000 0.216 26 L C 2.256 179.119 176.870 -0.011 0.000 1.114 26 L CA 1.342 56.205 54.840 0.039 0.000 0.777 26 L CB -0.984 41.086 42.059 0.018 0.000 0.910 26 L HN 0.659 nan 8.230 nan 0.000 0.440 27 A N -0.701 122.104 122.820 -0.025 0.000 2.019 27 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 27 A C 1.914 179.420 177.584 -0.131 0.000 1.164 27 A CA 1.510 53.511 52.037 -0.060 0.000 0.644 27 A CB -0.454 18.518 19.000 -0.047 0.000 0.805 27 A HN 0.491 nan 8.150 nan 0.000 0.449 28 N N -0.305 118.262 118.700 -0.222 0.000 2.336 28 N HA 0.054 4.794 4.740 -0.000 0.000 0.189 28 N C 0.093 175.276 175.510 -0.545 0.000 1.113 28 N CA 0.188 52.941 53.050 -0.496 0.000 0.858 28 N CB 0.136 38.069 38.487 -0.924 0.000 0.970 28 N HN 0.452 nan 8.380 nan 0.000 0.471 29 R N 0.773 121.125 120.500 -0.246 0.000 2.349 29 R HA 0.231 4.571 4.340 -0.000 0.000 0.299 29 R C 0.751 176.996 176.300 -0.092 0.000 1.027 29 R CA -0.259 55.770 56.100 -0.118 0.000 0.958 29 R CB 1.168 31.473 30.300 0.007 0.000 1.047 29 R HN 0.107 nan 8.270 nan 0.000 0.468 30 S N 1.198 116.854 115.700 -0.072 0.000 2.640 30 S HA 0.360 4.830 4.470 -0.000 0.000 0.262 30 S C 0.658 175.239 174.600 -0.032 0.000 1.232 30 S CA -0.616 57.552 58.200 -0.053 0.000 0.988 30 S CB 0.888 64.063 63.200 -0.042 0.000 1.034 30 S HN 0.629 nan 8.310 nan 0.000 0.569 31 G N -1.000 107.786 108.800 -0.024 0.000 2.528 31 G HA2 0.488 4.448 3.960 -0.000 0.000 0.289 31 G HA3 0.488 4.448 3.960 -0.000 0.000 0.289 31 G C -0.368 174.522 174.900 -0.017 0.000 1.192 31 G CA -0.721 44.371 45.100 -0.012 0.000 0.921 31 G HN 0.841 nan 8.290 nan 0.000 0.512 32 V N 0.151 120.060 119.914 -0.009 0.000 2.963 32 V HA 0.524 4.644 4.120 -0.000 0.000 0.306 32 V C 1.234 177.299 176.094 -0.049 0.000 1.077 32 V CA 0.791 63.067 62.300 -0.039 0.000 1.124 32 V CB 1.007 32.824 31.823 -0.010 0.000 0.987 32 V HN 0.968 nan 8.190 nan 0.000 0.487 33 G N 5.312 114.044 108.800 -0.113 0.000 2.583 33 G HA2 0.604 4.564 3.960 -0.000 0.000 0.280 33 G HA3 0.604 4.564 3.960 -0.000 0.000 0.280 33 G C -2.582 172.250 174.900 -0.112 0.000 1.376 33 G CA -0.936 44.110 45.100 -0.091 0.000 1.043 33 G HN 0.707 nan 8.290 nan 0.000 0.538 34 P HA 0.316 nan 4.420 nan 0.000 0.274 34 P C -1.307 175.944 177.300 -0.082 0.000 1.246 34 P CA -0.244 62.870 63.100 0.024 0.000 0.795 34 P CB 0.909 32.634 31.700 0.043 0.000 1.006 35 F N -0.104 119.839 119.950 -0.012 0.000 2.408 35 F HA 0.288 4.815 4.527 -0.000 0.000 0.344 35 F C 1.268 177.054 175.800 -0.023 0.000 1.112 35 F CA -0.169 57.818 58.000 -0.021 0.000 1.096 35 F CB 1.369 40.350 39.000 -0.032 0.000 1.129 35 F HN 0.122 nan 8.300 nan 0.000 0.486 36 S N 2.076 117.831 115.700 0.092 0.000 2.448 36 S HA 0.218 4.688 4.470 -0.000 0.000 0.320 36 S C 0.873 175.485 174.600 0.020 0.000 1.071 36 S CA -0.508 57.726 58.200 0.057 0.000 1.113 36 S CB 0.709 63.931 63.200 0.035 0.000 0.972 36 S HN 0.737 nan 8.310 nan 0.000 0.465 37 T N 5.437 119.987 114.554 -0.006 0.000 2.915 37 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 37 T C 1.698 176.291 174.700 -0.178 0.000 1.071 37 T CA 1.024 63.037 62.100 -0.145 0.000 1.132 37 T CB -0.244 68.563 68.868 -0.101 0.000 0.878 37 T HN 0.549 nan 8.240 nan 0.000 0.479 38 L N 0.978 122.232 121.223 0.051 0.000 2.017 38 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 38 L C 2.075 179.073 176.870 0.214 0.000 1.073 38 L CA 1.655 56.626 54.840 0.218 0.000 0.745 38 L CB -0.600 41.559 42.059 0.166 0.000 0.894 38 L HN 0.240 nan 8.230 nan 0.000 0.432 39 L N -0.838 120.456 121.223 0.119 0.000 2.201 39 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 39 L C 2.375 179.328 176.870 0.139 0.000 1.105 39 L CA 0.916 55.845 54.840 0.149 0.000 0.775 39 L CB -1.154 40.962 42.059 0.095 0.000 0.913 39 L HN 0.473 nan 8.230 nan 0.000 0.440 40 G N -0.891 107.897 108.800 -0.019 0.000 2.535 40 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 40 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 40 G C 1.082 175.924 174.900 -0.096 0.000 1.122 40 G CA 0.068 45.096 45.100 -0.119 0.000 0.769 40 G HN 0.431 nan 8.290 nan 0.000 0.549 41 W N -1.378 120.042 121.300 0.199 0.000 2.518 41 W HA 0.291 4.951 4.660 -0.000 0.000 0.273 41 W C 1.926 178.716 176.519 0.451 0.000 1.247 41 W CA -0.418 57.087 57.345 0.267 0.000 1.288 41 W CB -0.068 29.506 29.460 0.191 0.000 1.107 41 W HN 0.146 nan 8.180 nan 0.000 0.586 42 F N -0.632 119.579 119.950 0.436 0.000 2.419 42 F HA 0.422 4.949 4.527 -0.000 0.000 0.283 42 F C 1.458 177.342 175.800 0.141 0.000 1.044 42 F CA 1.371 59.550 58.000 0.298 0.000 1.376 42 F CB -0.369 38.800 39.000 0.282 0.000 1.131 42 F HN -0.235 nan 8.300 nan 0.000 0.585 43 G N -0.706 108.223 108.800 0.216 0.000 3.107 43 G HA2 0.186 4.146 3.960 -0.000 0.000 0.233 43 G HA3 0.186 4.146 3.960 -0.000 0.000 0.233 43 G C -1.207 173.729 174.900 0.060 0.000 1.168 43 G CA -0.801 44.335 45.100 0.061 0.000 0.801 43 G HN -0.076 nan 8.290 nan 0.000 0.605 44 N N 0.510 119.231 118.700 0.036 0.000 2.492 44 N HA 0.335 5.075 4.740 -0.000 0.000 0.260 44 N C 1.031 176.552 175.510 0.018 0.000 1.215 44 N CA 0.527 53.588 53.050 0.019 0.000 0.923 44 N CB 1.710 40.197 38.487 0.001 0.000 1.092 44 N HN 0.549 nan 8.380 nan 0.000 0.448 45 A N 2.038 124.868 122.820 0.018 0.000 2.095 45 A HA -0.043 4.276 4.320 -0.000 0.000 0.212 45 A C 0.949 178.501 177.584 -0.053 0.000 1.162 45 A CA 0.331 52.383 52.037 0.025 0.000 0.753 45 A CB -0.113 18.933 19.000 0.077 0.000 0.840 45 A HN 0.756 nan 8.150 nan 0.000 0.468 46 Q N 0.395 120.109 119.800 -0.143 0.000 2.313 46 Q HA 0.389 4.729 4.340 -0.000 0.000 0.266 46 Q C -1.543 174.254 176.000 -0.339 0.000 0.989 46 Q CA -0.200 55.307 55.803 -0.493 0.000 0.890 46 Q CB 0.375 28.872 28.738 -0.403 0.000 1.200 46 Q HN 0.284 nan 8.270 nan 0.000 0.396 47 L N 3.893 124.871 121.223 -0.407 0.000 2.317 47 L HA 0.654 4.993 4.340 -0.000 0.000 0.281 47 L C 0.442 177.184 176.870 -0.213 0.000 1.024 47 L CA 0.911 55.617 54.840 -0.223 0.000 0.810 47 L CB 1.528 43.492 42.059 -0.159 0.000 1.240 47 L HN 0.929 nan 8.230 nan 0.000 0.427 48 G N 3.468 112.192 108.800 -0.127 0.000 2.855 48 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.352 48 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.352 48 G C -2.809 172.032 174.900 -0.098 0.000 1.415 48 G CA -0.636 44.408 45.100 -0.093 0.000 0.871 48 G HN 0.544 nan 8.290 nan 0.000 0.543 49 P HA 0.613 nan 4.420 nan 0.000 0.277 49 P C -0.156 177.134 177.300 -0.015 0.000 1.271 49 P CA -0.522 62.556 63.100 -0.036 0.000 0.795 49 P CB 1.359 33.047 31.700 -0.021 0.000 1.101 50 I N -0.178 120.390 120.570 -0.004 0.000 2.846 50 I HA 0.395 4.565 4.170 -0.000 0.000 0.307 50 I C -1.290 174.853 176.117 0.043 0.000 1.053 50 I CA -1.452 59.862 61.300 0.023 0.000 1.050 50 I CB 1.974 39.988 38.000 0.023 0.000 1.239 50 I HN 0.224 nan 8.210 nan 0.000 0.439 51 Y N 6.948 127.208 120.300 -0.068 0.000 2.335 51 Y HA 0.605 5.155 4.550 -0.000 0.000 0.339 51 Y C -1.461 174.388 175.900 -0.085 0.000 0.987 51 Y CA -0.579 57.473 58.100 -0.079 0.000 1.140 51 Y CB 0.995 39.393 38.460 -0.103 0.000 1.173 51 Y HN 0.384 nan 8.280 nan 0.000 0.486 52 L N 7.349 128.364 121.223 -0.347 0.000 2.442 52 L HA 0.518 4.858 4.340 -0.000 0.000 0.261 52 L C 0.360 177.045 176.870 -0.308 0.000 1.000 52 L CA -0.512 54.211 54.840 -0.194 0.000 0.882 52 L CB 1.212 43.214 42.059 -0.095 0.000 1.207 52 L HN 0.875 nan 8.230 nan 0.000 0.443 53 G N 0.467 109.157 108.800 -0.183 0.000 2.606 53 G HA2 0.299 4.259 3.960 -0.000 0.000 0.262 53 G HA3 0.299 4.259 3.960 -0.000 0.000 0.262 53 G C 0.753 175.634 174.900 -0.032 0.000 1.394 53 G CA -0.104 44.927 45.100 -0.115 0.000 1.044 53 G HN 0.441 nan 8.290 nan 0.000 0.553 54 S N -0.725 114.971 115.700 -0.007 0.000 2.353 54 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 54 S C 2.367 176.983 174.600 0.027 0.000 1.035 54 S CA 1.298 59.501 58.200 0.005 0.000 1.025 54 S CB -0.441 62.763 63.200 0.008 0.000 0.902 54 S HN 0.332 nan 8.310 nan 0.000 0.440 55 L N 1.951 123.193 121.223 0.032 0.000 2.042 55 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 55 L C 2.329 179.225 176.870 0.044 0.000 1.076 55 L CA 2.007 56.870 54.840 0.038 0.000 0.749 55 L CB -1.403 40.662 42.059 0.010 0.000 0.893 55 L HN 0.343 nan 8.230 nan 0.000 0.432 56 G N -1.475 107.337 108.800 0.020 0.000 2.421 56 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 56 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 56 G C 1.581 176.539 174.900 0.097 0.000 1.171 56 G CA 1.044 46.160 45.100 0.027 0.000 0.775 56 G HN 0.321 nan 8.290 nan 0.000 0.543 57 V N 0.844 120.798 119.914 0.067 0.000 2.295 57 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 57 V C 2.699 178.879 176.094 0.143 0.000 1.049 57 V CA 1.717 64.067 62.300 0.083 0.000 1.024 57 V CB -0.521 31.320 31.823 0.029 0.000 0.648 57 V HN 0.373 nan 8.190 nan 0.000 0.447 58 L N 0.202 121.505 121.223 0.133 0.000 2.012 58 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 58 L C 2.610 179.625 176.870 0.241 0.000 1.073 58 L CA 2.547 57.504 54.840 0.194 0.000 0.748 58 L CB -0.942 41.208 42.059 0.150 0.000 0.891 58 L HN 0.325 nan 8.230 nan 0.000 0.431 59 S N -0.951 114.873 115.700 0.207 0.000 2.356 59 S HA -0.148 4.321 4.470 -0.000 0.000 0.223 59 S C 1.995 176.708 174.600 0.189 0.000 1.032 59 S CA 1.626 59.964 58.200 0.231 0.000 1.005 59 S CB -0.408 63.009 63.200 0.362 0.000 0.867 59 S HN 0.520 nan 8.310 nan 0.000 0.449 60 L N -0.115 121.228 121.223 0.201 0.000 2.217 60 L HA 0.006 4.346 4.340 -0.000 0.000 0.211 60 L C 2.282 179.209 176.870 0.095 0.000 1.107 60 L CA 1.109 56.021 54.840 0.120 0.000 0.783 60 L CB -0.602 41.536 42.059 0.131 0.000 0.919 60 L HN 0.372 nan 8.230 nan 0.000 0.442 61 F N 0.868 120.832 119.950 0.024 0.000 2.113 61 F HA -0.169 4.358 4.527 -0.000 0.000 0.297 61 F C 2.578 178.352 175.800 -0.043 0.000 1.103 61 F CA 1.618 59.620 58.000 0.003 0.000 1.248 61 F CB -0.234 38.790 39.000 0.040 0.000 0.999 61 F HN -0.091 nan 8.300 nan 0.000 0.475 62 S N 0.380 116.032 115.700 -0.081 0.000 2.355 62 S HA -0.076 4.393 4.470 -0.000 0.000 0.222 62 S C 2.358 176.863 174.600 -0.159 0.000 1.031 62 S CA 1.088 59.212 58.200 -0.128 0.000 0.993 62 S CB -1.312 61.969 63.200 0.135 0.000 0.859 62 S HN 0.604 nan 8.310 nan 0.000 0.453 63 G N 2.110 110.851 108.800 -0.099 0.000 2.491 63 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 63 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 63 G C 1.345 176.182 174.900 -0.105 0.000 1.180 63 G CA 0.918 45.966 45.100 -0.087 0.000 0.774 63 G HN 0.432 nan 8.290 nan 0.000 0.562 64 L N -0.217 120.830 121.223 -0.294 0.000 2.046 64 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 64 L C 3.123 179.585 176.870 -0.680 0.000 1.077 64 L CA 0.767 55.264 54.840 -0.572 0.000 0.747 64 L CB -0.352 41.406 42.059 -0.502 0.000 0.896 64 L HN 0.145 nan 8.230 nan 0.000 0.432 65 M N -1.180 118.035 119.600 -0.641 0.000 2.108 65 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 65 M C 2.122 178.138 176.300 -0.474 0.000 1.066 65 M CA 1.755 56.587 55.300 -0.780 0.000 1.107 65 M CB -1.260 30.286 32.600 -1.756 0.000 1.356 65 M HN 0.465 nan 8.290 nan 0.000 0.406 66 W N 0.486 121.520 121.300 -0.443 0.000 2.335 66 W HA -0.269 4.391 4.660 -0.000 0.000 0.311 66 W C 2.197 178.601 176.519 -0.192 0.000 1.213 66 W CA 1.471 58.702 57.345 -0.190 0.000 1.274 66 W CB -0.943 28.425 29.460 -0.152 0.000 1.148 66 W HN 0.161 nan 8.180 nan 0.000 0.498 67 F N -0.171 119.441 119.950 -0.563 0.000 2.134 67 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 67 F C 2.161 177.687 175.800 -0.456 0.000 1.097 67 F CA 1.973 59.511 58.000 -0.770 0.000 1.264 67 F CB -0.896 37.742 39.000 -0.603 0.000 1.001 67 F HN -0.124 nan 8.300 nan 0.000 0.479 68 F N -0.943 118.897 119.950 -0.184 0.000 2.259 68 F HA -0.172 4.354 4.527 -0.000 0.000 0.298 68 F C 2.323 178.012 175.800 -0.184 0.000 1.088 68 F CA 0.997 58.893 58.000 -0.174 0.000 1.358 68 F CB -0.730 38.210 39.000 -0.100 0.000 1.040 68 F HN -0.190 nan 8.300 nan 0.000 0.505 69 T N 0.779 115.318 114.554 -0.025 0.000 2.821 69 T HA -0.126 4.223 4.350 -0.000 0.000 0.267 69 T C 1.887 176.553 174.700 -0.056 0.000 1.046 69 T CA 1.124 63.227 62.100 0.006 0.000 1.139 69 T CB -0.266 68.635 68.868 0.055 0.000 0.871 69 T HN 0.206 nan 8.240 nan 0.000 0.454 70 I N 0.931 121.311 120.570 -0.316 0.000 2.333 70 I HA 0.009 4.179 4.170 -0.000 0.000 0.246 70 I C 2.901 178.740 176.117 -0.463 0.000 1.106 70 I CA 0.985 62.036 61.300 -0.415 0.000 1.411 70 I CB -0.613 36.893 38.000 -0.823 0.000 1.082 70 I HN 0.278 nan 8.210 nan 0.000 0.420 71 G N 1.466 109.990 108.800 -0.459 0.000 2.422 71 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 71 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 71 G C 1.605 176.612 174.900 0.179 0.000 1.146 71 G CA 0.382 45.351 45.100 -0.218 0.000 0.769 71 G HN 0.163 nan 8.290 nan 0.000 0.547 72 I N -0.134 120.546 120.570 0.184 0.000 2.315 72 I HA -0.090 4.080 4.170 -0.000 0.000 0.248 72 I C 2.348 178.629 176.117 0.273 0.000 1.117 72 I CA 0.539 61.999 61.300 0.268 0.000 1.404 72 I CB -0.967 37.171 38.000 0.230 0.000 1.071 72 I HN 0.467 nan 8.210 nan 0.000 0.419 73 W N 1.069 122.439 121.300 0.116 0.000 2.388 73 W HA -0.273 4.387 4.660 -0.000 0.000 0.294 73 W C 2.307 178.944 176.519 0.197 0.000 1.212 73 W CA 0.966 58.424 57.345 0.189 0.000 1.271 73 W CB -0.299 29.299 29.460 0.231 0.000 1.126 73 W HN 0.003 nan 8.180 nan 0.000 0.535 74 F N -0.205 119.636 119.950 -0.181 0.000 2.075 74 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 74 F C 2.105 177.366 175.800 -0.897 0.000 1.113 74 F CA 1.386 58.990 58.000 -0.661 0.000 1.218 74 F CB -1.704 37.053 39.000 -0.404 0.000 0.984 74 F HN -0.117 nan 8.300 nan 0.000 0.472 75 W N -1.253 119.868 121.300 -0.299 0.000 2.338 75 W HA -0.278 4.382 4.660 -0.000 0.000 0.304 75 W C 2.614 178.431 176.519 -1.170 0.000 1.212 75 W CA 1.799 58.786 57.345 -0.596 0.000 1.264 75 W CB -1.162 27.978 29.460 -0.533 0.000 1.142 75 W HN 0.082 nan 8.180 nan 0.000 0.512 76 Y N 1.300 120.923 120.300 -1.129 0.000 2.145 76 Y HA -0.309 4.241 4.550 -0.000 0.000 0.286 76 Y C 2.298 177.672 175.900 -0.878 0.000 1.145 76 Y CA 2.216 59.592 58.100 -1.207 0.000 1.148 76 Y CB -0.899 37.142 38.460 -0.698 0.000 0.981 76 Y HN 0.042 nan 8.280 nan 0.000 0.507 77 Q N -0.445 118.739 119.800 -1.027 0.000 2.291 77 Q HA -0.095 4.245 4.340 -0.000 0.000 0.206 77 Q C 2.056 177.722 176.000 -0.557 0.000 0.976 77 Q CA 1.018 56.311 55.803 -0.851 0.000 0.875 77 Q CB -0.259 28.078 28.738 -0.668 0.000 0.927 77 Q HN 0.591 nan 8.270 nan 0.000 0.450 78 A N 0.204 122.625 122.820 -0.664 0.000 2.251 78 A HA 0.301 4.621 4.320 -0.000 0.000 0.209 78 A C 1.437 178.889 177.584 -0.220 0.000 1.187 78 A CA 0.597 52.458 52.037 -0.293 0.000 0.823 78 A CB -0.309 18.521 19.000 -0.283 0.000 0.846 78 A HN 0.418 nan 8.150 nan 0.000 0.486 79 G N -2.228 106.328 108.800 -0.407 0.000 2.225 79 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.267 79 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.267 79 G C 0.298 175.234 174.900 0.059 0.000 1.024 79 G CA 0.292 45.270 45.100 -0.203 0.000 0.784 79 G HN 1.129 nan 8.290 nan 0.000 0.507 80 W N -2.136 119.238 121.300 0.124 0.000 3.520 80 W HA -0.198 4.462 4.660 -0.000 0.000 0.305 80 W C 0.624 177.294 176.519 0.252 0.000 1.150 80 W CA 0.323 57.809 57.345 0.236 0.000 0.656 80 W CB -1.987 27.530 29.460 0.094 0.000 2.198 80 W HN 0.594 nan 8.180 nan 0.000 1.417 81 N N 1.018 119.910 118.700 0.321 0.000 2.439 81 N HA 0.186 4.926 4.740 -0.000 0.000 0.249 81 N C -1.175 174.513 175.510 0.297 0.000 1.003 81 N CA -1.707 51.498 53.050 0.258 0.000 0.942 81 N CB 1.479 40.053 38.487 0.144 0.000 1.115 81 N HN -0.231 nan 8.380 nan 0.000 0.505 82 P HA -0.138 nan 4.420 nan 0.000 0.217 82 P C 0.800 178.232 177.300 0.220 0.000 1.151 82 P CA 1.447 64.767 63.100 0.366 0.000 0.849 82 P CB 0.306 32.191 31.700 0.308 0.000 0.787 83 A N -0.969 121.942 122.820 0.152 0.000 1.930 83 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 83 A C 2.250 179.868 177.584 0.057 0.000 1.175 83 A CA 1.567 53.657 52.037 0.088 0.000 0.627 83 A CB -1.514 17.521 19.000 0.059 0.000 0.815 83 A HN 0.050 nan 8.150 nan 0.000 0.443 84 V N -1.295 118.664 119.914 0.075 0.000 2.548 84 V HA -0.165 3.954 4.120 -0.000 0.000 0.249 84 V C 2.196 178.354 176.094 0.106 0.000 1.055 84 V CA 1.683 64.012 62.300 0.048 0.000 1.065 84 V CB -0.977 30.881 31.823 0.059 0.000 0.681 84 V HN 0.597 nan 8.190 nan 0.000 0.462 85 F N 0.838 120.742 119.950 -0.076 0.000 2.069 85 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 85 F C 2.026 177.793 175.800 -0.054 0.000 1.113 85 F CA 1.828 59.718 58.000 -0.185 0.000 1.214 85 F CB -0.250 38.273 39.000 -0.795 0.000 0.978 85 F HN 0.024 nan 8.300 nan 0.000 0.474 86 L N -0.313 120.883 121.223 -0.045 0.000 2.109 86 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 86 L C 2.698 179.428 176.870 -0.234 0.000 1.086 86 L CA 1.332 56.082 54.840 -0.151 0.000 0.760 86 L CB -0.724 41.328 42.059 -0.012 0.000 0.910 86 L HN 0.100 nan 8.230 nan 0.000 0.437 87 R N 0.420 120.813 120.500 -0.178 0.000 2.073 87 R HA -0.157 4.182 4.340 -0.000 0.000 0.234 87 R C 0.542 176.638 176.300 -0.339 0.000 1.134 87 R CA 1.824 57.792 56.100 -0.220 0.000 0.952 87 R CB 0.041 30.233 30.300 -0.179 0.000 0.850 87 R HN 0.307 nan 8.270 nan 0.000 0.433 88 D N 0.518 120.625 120.400 -0.489 0.000 2.463 88 D HA -0.002 4.638 4.640 -0.000 0.000 0.224 88 D C 1.149 176.836 176.300 -1.021 0.000 1.174 88 D CA -0.139 53.406 54.000 -0.758 0.000 0.829 88 D CB 0.599 40.735 40.800 -1.106 0.000 0.993 88 D HN 0.125 nan 8.370 nan 0.000 0.497 89 L N 0.148 120.978 121.223 -0.656 0.000 2.043 89 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 89 L C 1.352 178.074 176.870 -0.247 0.000 1.075 89 L CA 1.781 56.336 54.840 -0.475 0.000 0.752 89 L CB -0.430 41.328 42.059 -0.502 0.000 0.891 89 L HN -0.032 nan 8.230 nan 0.000 0.432 90 F N -1.869 117.776 119.950 -0.508 0.000 2.780 90 F HA 0.065 4.591 4.527 -0.000 0.000 0.299 90 F C 1.794 177.024 175.800 -0.950 0.000 1.146 90 F CA 0.054 57.523 58.000 -0.884 0.000 1.428 90 F CB -0.998 37.025 39.000 -1.628 0.000 1.115 90 F HN 0.050 nan 8.300 nan 0.000 0.583 91 F N -1.711 117.922 119.950 -0.528 0.000 2.619 91 F HA 0.143 4.670 4.527 -0.000 0.000 0.293 91 F C 0.860 176.424 175.800 -0.394 0.000 1.119 91 F CA -0.551 57.240 58.000 -0.349 0.000 1.445 91 F CB -0.794 37.989 39.000 -0.362 0.000 1.119 91 F HN -0.339 nan 8.300 nan 0.000 0.573 92 F N 0.605 120.344 119.950 -0.351 0.000 2.545 92 F HA 0.343 4.870 4.527 -0.000 0.000 0.348 92 F C 0.773 176.305 175.800 -0.447 0.000 1.163 92 F CA -0.532 57.035 58.000 -0.723 0.000 1.331 92 F CB 0.316 38.194 39.000 -1.870 0.000 1.138 92 F HN -0.285 nan 8.300 nan 0.000 0.602 93 S N 2.758 118.582 115.700 0.205 0.000 2.563 93 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 93 S C -1.590 173.428 174.600 0.697 0.000 1.155 93 S CA -0.850 57.647 58.200 0.495 0.000 0.928 93 S CB 0.673 64.077 63.200 0.340 0.000 1.107 93 S HN 0.664 nan 8.310 nan 0.000 0.462 94 L N 4.747 126.363 121.223 0.655 0.000 2.259 94 L HA 0.516 4.855 4.340 -0.000 0.000 0.288 94 L C -0.226 176.823 176.870 0.299 0.000 1.051 94 L CA -0.321 54.711 54.840 0.320 0.000 0.824 94 L CB 0.502 42.782 42.059 0.369 0.000 1.206 94 L HN 0.721 nan 8.230 nan 0.000 0.429 95 E N 6.144 126.412 120.200 0.113 0.000 2.283 95 E HA 0.447 4.797 4.350 -0.000 0.000 0.271 95 E C -2.363 174.078 176.600 -0.266 0.000 1.031 95 E CA -1.767 54.615 56.400 -0.029 0.000 0.868 95 E CB 1.144 30.859 29.700 0.024 0.000 1.094 95 E HN 0.406 nan 8.360 nan 0.000 0.401 96 P HA 0.265 nan 4.420 nan 0.000 0.276 96 P C -2.562 174.510 177.300 -0.380 0.000 1.261 96 P CA -1.599 60.845 63.100 -1.094 0.000 0.800 96 P CB -0.357 30.288 31.700 -1.758 0.000 1.066 97 P HA 0.032 nan 4.420 nan 0.000 0.269 97 P C -0.198 177.149 177.300 0.077 0.000 1.211 97 P CA 0.408 63.504 63.100 -0.006 0.000 0.781 97 P CB 0.008 31.753 31.700 0.074 0.000 0.877 98 A N 3.970 126.932 122.820 0.237 0.000 2.366 98 A HA 0.298 4.618 4.320 -0.000 0.000 0.249 98 A C -1.354 176.308 177.584 0.131 0.000 1.084 98 A CA -0.947 51.190 52.037 0.166 0.000 0.794 98 A CB -1.004 18.098 19.000 0.171 0.000 1.034 98 A HN 0.419 nan 8.150 nan 0.000 0.491 99 P HA -0.199 nan 4.420 nan 0.000 0.216 99 P C 0.844 178.118 177.300 -0.043 0.000 1.157 99 P CA 1.744 64.837 63.100 -0.012 0.000 0.880 99 P CB 0.079 31.759 31.700 -0.034 0.000 0.791 100 E N -1.450 118.686 120.200 -0.106 0.000 2.197 100 E HA -0.233 4.117 4.350 -0.000 0.000 0.205 100 E C 1.716 178.159 176.600 -0.261 0.000 1.029 100 E CA 1.539 57.799 56.400 -0.233 0.000 0.828 100 E CB -1.385 28.081 29.700 -0.390 0.000 0.737 100 E HN 0.489 nan 8.360 nan 0.000 0.464 101 Y N -0.167 120.126 120.300 -0.012 0.000 2.583 101 Y HA 0.129 4.679 4.550 -0.000 0.000 0.293 101 Y C 1.856 177.729 175.900 -0.045 0.000 1.157 101 Y CA 0.560 58.658 58.100 -0.003 0.000 1.315 101 Y CB -0.417 38.068 38.460 0.041 0.000 1.021 101 Y HN 0.143 nan 8.280 nan 0.000 0.536 102 G N 0.853 109.666 108.800 0.023 0.000 2.634 102 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.309 102 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.309 102 G C 0.644 175.394 174.900 -0.250 0.000 1.265 102 G CA 0.633 45.663 45.100 -0.116 0.000 0.998 102 G HN 0.291 nan 8.290 nan 0.000 0.551 103 L N 2.014 123.004 121.223 -0.388 0.000 2.653 103 L HA 0.323 4.663 4.340 -0.000 0.000 0.231 103 L C 1.897 178.614 176.870 -0.256 0.000 1.153 103 L CA 0.501 54.910 54.840 -0.718 0.000 0.933 103 L CB -0.202 41.396 42.059 -0.768 0.000 1.175 103 L HN 0.680 nan 8.230 nan 0.000 0.473 104 S N -0.821 114.820 115.700 -0.098 0.000 2.626 104 S HA 0.211 4.681 4.470 -0.000 0.000 0.257 104 S C 0.194 174.693 174.600 -0.167 0.000 1.288 104 S CA -0.130 58.018 58.200 -0.087 0.000 0.980 104 S CB 0.510 63.754 63.200 0.074 0.000 0.975 104 S HN 0.138 nan 8.310 nan 0.000 0.577 105 F N -0.556 119.497 119.950 0.172 0.000 2.698 105 F HA 0.503 5.030 4.527 -0.000 0.000 0.304 105 F C 1.808 177.611 175.800 0.005 0.000 1.108 105 F CA -0.325 57.720 58.000 0.075 0.000 1.263 105 F CB -0.328 38.692 39.000 0.033 0.000 1.013 105 F HN 0.728 nan 8.300 nan 0.000 0.532 106 A N 0.300 123.203 122.820 0.138 0.000 2.119 106 A HA 0.431 4.751 4.320 -0.000 0.000 0.216 106 A C 1.629 179.148 177.584 -0.108 0.000 1.152 106 A CA 0.543 52.629 52.037 0.081 0.000 0.708 106 A CB -0.668 18.433 19.000 0.170 0.000 0.805 106 A HN 0.173 nan 8.150 nan 0.000 0.460 107 A N 1.020 123.570 122.820 -0.450 0.000 2.531 107 A HA 0.442 4.762 4.320 -0.000 0.000 0.236 107 A C -2.165 175.216 177.584 -0.338 0.000 1.062 107 A CA -0.745 50.730 52.037 -0.937 0.000 0.760 107 A CB -0.478 17.899 19.000 -1.038 0.000 0.995 107 A HN 0.279 nan 8.150 nan 0.000 0.501 108 P HA 0.090 nan 4.420 nan 0.000 0.270 108 P C 0.984 178.253 177.300 -0.051 0.000 1.223 108 P CA -0.356 62.710 63.100 -0.056 0.000 0.785 108 P CB 0.398 32.111 31.700 0.022 0.000 0.923 109 L N 1.199 122.416 121.223 -0.010 0.000 2.012 109 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 109 L C 1.778 178.624 176.870 -0.040 0.000 1.073 109 L CA 1.881 56.714 54.840 -0.012 0.000 0.748 109 L CB -0.596 41.476 42.059 0.021 0.000 0.891 109 L HN 0.445 nan 8.230 nan 0.000 0.431 110 K N -0.067 120.355 120.400 0.037 0.000 2.487 110 K HA -0.002 4.318 4.320 -0.000 0.000 0.192 110 K C 0.215 176.837 176.600 0.038 0.000 1.027 110 K CA 0.430 56.779 56.287 0.104 0.000 1.054 110 K CB 0.177 32.890 32.500 0.355 0.000 0.824 110 K HN 0.387 nan 8.250 nan 0.000 0.510 111 E N -0.359 119.833 120.200 -0.013 0.000 3.306 111 E HA 0.159 4.508 4.350 -0.000 0.000 0.197 111 E C 0.366 176.925 176.600 -0.070 0.000 0.980 111 E CA -0.189 56.214 56.400 0.004 0.000 1.259 111 E CB 1.329 31.078 29.700 0.082 0.000 1.112 111 E HN 0.340 nan 8.360 nan 0.000 0.458 112 G N 0.294 109.037 108.800 -0.096 0.000 2.699 112 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.198 112 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.198 112 G C 1.167 176.083 174.900 0.026 0.000 1.033 112 G CA -0.159 44.913 45.100 -0.047 0.000 0.728 112 G HN 0.400 nan 8.290 nan 0.000 0.484 113 G N 0.814 109.590 108.800 -0.040 0.000 2.440 113 G HA2 0.023 3.983 3.960 -0.000 0.000 0.218 113 G HA3 0.023 3.983 3.960 -0.000 0.000 0.218 113 G C 1.744 176.657 174.900 0.021 0.000 1.154 113 G CA 1.693 46.792 45.100 -0.002 0.000 0.767 113 G HN 0.768 nan 8.290 nan 0.000 0.552 114 L N -0.846 120.369 121.223 -0.013 0.000 2.156 114 L HA 0.161 4.501 4.340 -0.000 0.000 0.208 114 L C 2.309 179.215 176.870 0.060 0.000 1.095 114 L CA 1.077 55.912 54.840 -0.009 0.000 0.770 114 L CB -0.527 41.469 42.059 -0.104 0.000 0.914 114 L HN 0.514 nan 8.230 nan 0.000 0.439 115 W N -0.544 120.709 121.300 -0.078 0.000 2.388 115 W HA -0.155 4.505 4.660 -0.000 0.000 0.294 115 W C 2.070 178.645 176.519 0.093 0.000 1.212 115 W CA 1.374 58.752 57.345 0.056 0.000 1.271 115 W CB -0.061 29.395 29.460 -0.007 0.000 1.126 115 W HN 0.061 nan 8.180 nan 0.000 0.535 116 L N 0.241 121.575 121.223 0.184 0.000 2.093 116 L HA -0.223 4.116 4.340 -0.000 0.000 0.208 116 L C 2.415 179.205 176.870 -0.134 0.000 1.085 116 L CA 1.298 56.110 54.840 -0.047 0.000 0.755 116 L CB -0.758 41.349 42.059 0.080 0.000 0.904 116 L HN 0.027 nan 8.230 nan 0.000 0.435 117 I N -0.216 120.309 120.570 -0.074 0.000 2.179 117 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 117 I C 2.826 178.932 176.117 -0.018 0.000 1.088 117 I CA 1.210 62.446 61.300 -0.106 0.000 1.357 117 I CB -0.503 37.478 38.000 -0.031 0.000 1.051 117 I HN 0.202 nan 8.210 nan 0.000 0.409 118 A N 0.281 123.139 122.820 0.063 0.000 1.908 118 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 118 A C 2.471 180.160 177.584 0.175 0.000 1.181 118 A CA 2.309 54.452 52.037 0.176 0.000 0.627 118 A CB -0.794 18.165 19.000 -0.067 0.000 0.818 118 A HN 0.407 nan 8.150 nan 0.000 0.445 119 S N -1.249 114.379 115.700 -0.121 0.000 2.399 119 S HA -0.118 4.352 4.470 -0.000 0.000 0.231 119 S C 1.595 176.166 174.600 -0.048 0.000 1.022 119 S CA 1.358 59.449 58.200 -0.182 0.000 0.983 119 S CB -0.474 62.312 63.200 -0.690 0.000 0.803 119 S HN 0.641 nan 8.310 nan 0.000 0.480 120 F N 1.495 121.324 119.950 -0.202 0.000 2.186 120 F HA -0.007 4.520 4.527 -0.000 0.000 0.299 120 F C 1.564 177.330 175.800 -0.055 0.000 1.090 120 F CA 1.037 58.913 58.000 -0.206 0.000 1.307 120 F CB -0.331 38.427 39.000 -0.402 0.000 1.019 120 F HN 0.097 nan 8.300 nan 0.000 0.489 121 F N -0.042 119.926 119.950 0.029 0.000 2.186 121 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 121 F C 2.602 178.326 175.800 -0.126 0.000 1.090 121 F CA 1.565 59.541 58.000 -0.040 0.000 1.307 121 F CB -0.967 38.083 39.000 0.083 0.000 1.019 121 F HN 0.041 nan 8.300 nan 0.000 0.489 122 M N -1.307 118.297 119.600 0.007 0.000 2.132 122 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 122 M C 2.260 178.553 176.300 -0.012 0.000 1.065 122 M CA 1.635 56.746 55.300 -0.316 0.000 1.122 122 M CB -0.397 31.813 32.600 -0.651 0.000 1.365 122 M HN 0.173 nan 8.290 nan 0.000 0.411 123 F N 0.275 120.221 119.950 -0.007 0.000 2.095 123 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 123 F C 1.857 177.723 175.800 0.111 0.000 1.104 123 F CA 1.863 59.961 58.000 0.163 0.000 1.232 123 F CB -0.371 38.577 39.000 -0.086 0.000 0.987 123 F HN -0.093 nan 8.300 nan 0.000 0.475 124 V N 0.166 120.123 119.914 0.073 0.000 2.427 124 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 124 V C 2.631 178.756 176.094 0.052 0.000 1.051 124 V CA 1.597 63.913 62.300 0.027 0.000 1.048 124 V CB -1.405 30.356 31.823 -0.104 0.000 0.666 124 V HN 0.475 nan 8.190 nan 0.000 0.456 125 A N -0.171 122.648 122.820 -0.003 0.000 1.898 125 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 125 A C 2.380 179.932 177.584 -0.053 0.000 1.181 125 A CA 2.007 54.032 52.037 -0.019 0.000 0.620 125 A CB -0.590 18.336 19.000 -0.123 0.000 0.819 125 A HN 0.326 nan 8.150 nan 0.000 0.442 126 V N -2.293 117.467 119.914 -0.257 0.000 2.270 126 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 126 V C 2.261 178.189 176.094 -0.278 0.000 1.043 126 V CA 1.733 63.759 62.300 -0.457 0.000 1.014 126 V CB -1.063 30.021 31.823 -1.233 0.000 0.645 126 V HN 0.788 nan 8.190 nan 0.000 0.447 127 W N 0.843 122.008 121.300 -0.225 0.000 2.402 127 W HA -0.166 4.494 4.660 -0.000 0.000 0.286 127 W C 2.919 179.483 176.519 0.075 0.000 1.221 127 W CA 1.450 58.714 57.345 -0.135 0.000 1.257 127 W CB -0.372 28.894 29.460 -0.322 0.000 1.120 127 W HN 0.369 nan 8.180 nan 0.000 0.551 128 S N -1.143 114.723 115.700 0.276 0.000 2.406 128 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 128 S C 1.653 176.378 174.600 0.208 0.000 1.020 128 S CA 0.746 59.078 58.200 0.221 0.000 0.965 128 S CB -1.108 62.197 63.200 0.174 0.000 0.798 128 S HN 0.480 nan 8.310 nan 0.000 0.488 129 W N 0.867 122.218 121.300 0.086 0.000 2.436 129 W HA -0.022 4.638 4.660 -0.000 0.000 0.284 129 W C 1.777 178.412 176.519 0.194 0.000 1.225 129 W CA 0.716 58.114 57.345 0.088 0.000 1.271 129 W CB -0.458 29.030 29.460 0.048 0.000 1.114 129 W HN 0.517 nan 8.180 nan 0.000 0.559 130 W N 1.685 123.133 121.300 0.247 0.000 2.363 130 W HA -0.056 4.604 4.660 -0.000 0.000 0.296 130 W C 2.403 178.957 176.519 0.060 0.000 1.212 130 W CA 3.054 60.494 57.345 0.158 0.000 1.260 130 W CB -0.821 28.544 29.460 -0.158 0.000 1.131 130 W HN -0.114 nan 8.180 nan 0.000 0.530 131 G N 0.271 109.094 108.800 0.039 0.000 2.432 131 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 131 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 131 G C 1.623 176.348 174.900 -0.292 0.000 1.135 131 G CA 0.866 45.862 45.100 -0.173 0.000 0.767 131 G HN 0.263 nan 8.290 nan 0.000 0.550 132 R N -0.007 120.300 120.500 -0.321 0.000 2.066 132 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 132 R C 3.122 179.137 176.300 -0.476 0.000 1.131 132 R CA 1.825 57.656 56.100 -0.448 0.000 0.955 132 R CB -0.556 29.299 30.300 -0.742 0.000 0.851 132 R HN 0.527 nan 8.270 nan 0.000 0.432 133 T N -1.923 112.342 114.554 -0.482 0.000 2.833 133 T HA -0.229 4.120 4.350 -0.000 0.000 0.269 133 T C 1.785 176.211 174.700 -0.455 0.000 1.054 133 T CA 1.223 63.077 62.100 -0.411 0.000 1.135 133 T CB -0.482 68.230 68.868 -0.261 0.000 0.869 133 T HN 0.338 nan 8.240 nan 0.000 0.466 134 Y N 1.729 121.615 120.300 -0.692 0.000 2.153 134 Y HA 0.187 4.737 4.550 -0.000 0.000 0.289 134 Y C 2.226 177.846 175.900 -0.468 0.000 1.127 134 Y CA 1.094 58.784 58.100 -0.682 0.000 1.131 134 Y CB -0.253 37.656 38.460 -0.918 0.000 0.995 134 Y HN 0.105 nan 8.280 nan 0.000 0.505 135 L N -0.196 120.923 121.223 -0.174 0.000 2.093 135 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 135 L C 2.423 179.106 176.870 -0.313 0.000 1.085 135 L CA 0.869 55.601 54.840 -0.179 0.000 0.755 135 L CB -0.485 41.484 42.059 -0.149 0.000 0.904 135 L HN 0.132 nan 8.230 nan 0.000 0.435 136 R N 0.214 120.486 120.500 -0.380 0.000 2.148 136 R HA -0.029 4.311 4.340 -0.000 0.000 0.227 136 R C 2.207 178.297 176.300 -0.350 0.000 1.103 136 R CA 1.278 57.129 56.100 -0.415 0.000 0.983 136 R CB -0.769 29.284 30.300 -0.411 0.000 0.874 136 R HN 0.357 nan 8.270 nan 0.000 0.451 137 A N 0.571 123.171 122.820 -0.367 0.000 1.898 137 A HA -0.126 4.194 4.320 -0.000 0.000 0.214 137 A C 2.163 179.552 177.584 -0.325 0.000 1.183 137 A CA 0.961 52.793 52.037 -0.341 0.000 0.622 137 A CB -0.335 18.424 19.000 -0.402 0.000 0.824 137 A HN 0.324 nan 8.150 nan 0.000 0.444 138 Q N -0.235 119.339 119.800 -0.377 0.000 2.050 138 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 138 Q C 2.115 177.997 176.000 -0.197 0.000 0.980 138 Q CA 1.655 57.287 55.803 -0.286 0.000 0.840 138 Q CB -0.352 28.243 28.738 -0.238 0.000 0.898 138 Q HN 0.577 nan 8.270 nan 0.000 0.424 139 A N 0.390 123.085 122.820 -0.209 0.000 2.024 139 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 139 A C 1.753 179.245 177.584 -0.154 0.000 1.164 139 A CA 1.028 52.959 52.037 -0.176 0.000 0.643 139 A CB -0.325 18.536 19.000 -0.232 0.000 0.806 139 A HN 0.460 nan 8.150 nan 0.000 0.451 140 L N -1.504 119.616 121.223 -0.172 0.000 2.607 140 L HA 0.255 4.595 4.340 -0.000 0.000 0.228 140 L C 1.575 178.373 176.870 -0.120 0.000 1.123 140 L CA 0.416 55.172 54.840 -0.139 0.000 0.890 140 L CB 0.022 41.991 42.059 -0.150 0.000 1.103 140 L HN 0.525 nan 8.230 nan 0.000 0.468 141 G N 0.405 109.129 108.800 -0.127 0.000 2.153 141 G HA2 -0.318 3.641 3.960 -0.000 0.000 0.252 141 G HA3 -0.318 3.641 3.960 -0.000 0.000 0.252 141 G C 0.298 175.133 174.900 -0.108 0.000 0.994 141 G CA 0.294 45.331 45.100 -0.105 0.000 0.698 141 G HN 0.285 nan 8.290 nan 0.000 0.521 142 M N 0.401 119.918 119.600 -0.138 0.000 2.283 142 M HA 0.521 5.001 4.480 -0.000 0.000 0.314 142 M C 1.441 177.666 176.300 -0.126 0.000 1.153 142 M CA 0.108 55.332 55.300 -0.127 0.000 1.084 142 M CB 0.698 33.211 32.600 -0.145 0.000 1.468 142 M HN 0.207 nan 8.290 nan 0.000 0.474 143 G N 0.694 109.470 108.800 -0.041 0.000 2.699 143 G HA2 0.119 4.079 3.960 -0.000 0.000 0.246 143 G HA3 0.119 4.079 3.960 -0.000 0.000 0.246 143 G C 0.209 175.081 174.900 -0.048 0.000 1.219 143 G CA -0.536 44.601 45.100 0.062 0.000 0.866 143 G HN 0.638 nan 8.290 nan 0.000 0.572 144 K N -0.090 120.213 120.400 -0.161 0.000 2.570 144 K HA 0.115 4.435 4.320 -0.000 0.000 0.210 144 K C 1.301 177.691 176.600 -0.350 0.000 1.048 144 K CA -0.172 55.846 56.287 -0.448 0.000 1.167 144 K CB 0.012 32.077 32.500 -0.725 0.000 0.892 144 K HN 0.590 nan 8.250 nan 0.000 0.480 145 H N 0.408 119.413 119.070 -0.109 0.000 2.387 145 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 145 H C 1.706 177.011 175.328 -0.038 0.000 1.099 145 H CA 2.097 58.145 56.048 0.000 0.000 1.315 145 H CB -0.245 29.494 29.762 -0.039 0.000 1.380 145 H HN 0.094 nan 8.280 nan 0.000 0.513 146 T N 0.104 114.658 114.554 0.000 0.000 2.708 146 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 146 T C 2.369 177.069 174.700 -0.000 0.000 1.037 146 T CA 1.279 63.361 62.100 -0.030 0.000 1.146 146 T CB -0.513 68.293 68.868 -0.103 0.000 0.865 146 T HN 0.524 nan 8.240 nan 0.000 0.435 147 A N 0.207 122.922 122.820 -0.175 0.000 1.972 147 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 147 A C 2.101 179.819 177.584 0.224 0.000 1.169 147 A CA 1.040 52.971 52.037 -0.176 0.000 0.635 147 A CB -1.033 17.564 19.000 -0.671 0.000 0.810 147 A HN 0.730 nan 8.150 nan 0.000 0.446 148 W N -0.614 120.805 121.300 0.198 0.000 2.418 148 W HA 0.044 4.704 4.660 -0.000 0.000 0.292 148 W C 2.722 179.287 176.519 0.077 0.000 1.213 148 W CA 0.502 57.931 57.345 0.140 0.000 1.283 148 W CB 0.044 29.487 29.460 -0.027 0.000 1.119 148 W HN 0.386 nan 8.180 nan 0.000 0.542 149 A N 0.086 123.070 122.820 0.272 0.000 1.898 149 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 149 A C 1.733 179.470 177.584 0.255 0.000 1.181 149 A CA 1.204 53.327 52.037 0.143 0.000 0.620 149 A CB -1.187 17.848 19.000 0.058 0.000 0.819 149 A HN 0.326 nan 8.150 nan 0.000 0.442 150 F N 0.449 120.478 119.950 0.132 0.000 2.161 150 F HA -0.136 4.390 4.527 -0.000 0.000 0.300 150 F C 1.758 177.640 175.800 0.137 0.000 1.089 150 F CA 1.270 59.351 58.000 0.136 0.000 1.282 150 F CB -0.725 38.393 39.000 0.197 0.000 1.010 150 F HN 0.195 nan 8.300 nan 0.000 0.485 151 L N -0.307 121.061 121.223 0.241 0.000 2.187 151 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 151 L C 2.639 179.528 176.870 0.031 0.000 1.100 151 L CA 1.981 56.804 54.840 -0.029 0.000 0.765 151 L CB -1.165 41.010 42.059 0.194 0.000 0.904 151 L HN 0.233 nan 8.230 nan 0.000 0.437 152 S N -1.242 114.530 115.700 0.119 0.000 2.368 152 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 152 S C 2.135 176.856 174.600 0.201 0.000 1.029 152 S CA 1.007 59.292 58.200 0.143 0.000 0.988 152 S CB -0.258 62.996 63.200 0.090 0.000 0.838 152 S HN 0.609 nan 8.310 nan 0.000 0.462 153 A N 1.293 124.214 122.820 0.168 0.000 1.930 153 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 153 A C 2.069 179.715 177.584 0.103 0.000 1.175 153 A CA 1.238 53.370 52.037 0.159 0.000 0.627 153 A CB -0.709 18.419 19.000 0.214 0.000 0.815 153 A HN 0.608 nan 8.150 nan 0.000 0.443 154 I N -1.338 119.199 120.570 -0.056 0.000 2.361 154 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 154 I C 2.456 178.667 176.117 0.157 0.000 1.133 154 I CA 1.240 62.447 61.300 -0.155 0.000 1.413 154 I CB -0.283 37.274 38.000 -0.738 0.000 1.073 154 I HN 0.760 nan 8.210 nan 0.000 0.424 155 W N 1.603 122.889 121.300 -0.024 0.000 2.333 155 W HA -0.297 4.363 4.660 -0.000 0.000 0.316 155 W C 2.329 178.890 176.519 0.071 0.000 1.215 155 W CA 1.149 58.513 57.345 0.032 0.000 1.278 155 W CB -0.239 29.232 29.460 0.017 0.000 1.154 155 W HN 0.141 nan 8.180 nan 0.000 0.486 156 L N 1.003 122.220 121.223 -0.010 0.000 2.046 156 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 156 L C 2.283 179.124 176.870 -0.047 0.000 1.077 156 L CA 2.697 57.451 54.840 -0.145 0.000 0.747 156 L CB -1.619 40.448 42.059 0.014 0.000 0.896 156 L HN 0.247 nan 8.230 nan 0.000 0.432 157 W N -0.191 121.034 121.300 -0.126 0.000 2.355 157 W HA -0.249 4.411 4.660 -0.000 0.000 0.309 157 W C 2.280 178.759 176.519 -0.067 0.000 1.206 157 W CA 1.916 59.197 57.345 -0.107 0.000 1.284 157 W CB -0.298 29.071 29.460 -0.150 0.000 1.145 157 W HN 0.091 nan 8.180 nan 0.000 0.502 158 M N 0.202 119.699 119.600 -0.172 0.000 2.108 158 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 158 M C 1.934 178.141 176.300 -0.155 0.000 1.066 158 M CA 1.471 56.607 55.300 -0.273 0.000 1.107 158 M CB -1.642 30.991 32.600 0.055 0.000 1.356 158 M HN 0.001 nan 8.290 nan 0.000 0.406 159 V N 0.574 120.324 119.914 -0.274 0.000 2.295 159 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 159 V C 2.520 178.528 176.094 -0.144 0.000 1.049 159 V CA 1.472 63.587 62.300 -0.308 0.000 1.024 159 V CB -0.632 30.831 31.823 -0.600 0.000 0.648 159 V HN 0.395 nan 8.190 nan 0.000 0.447 160 L N 0.216 121.353 121.223 -0.143 0.000 2.012 160 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 160 L C 2.248 179.102 176.870 -0.028 0.000 1.073 160 L CA 1.920 56.715 54.840 -0.076 0.000 0.748 160 L CB -0.755 41.231 42.059 -0.121 0.000 0.891 160 L HN 0.493 nan 8.230 nan 0.000 0.431 161 G N -3.070 105.691 108.800 -0.065 0.000 3.159 161 G HA2 0.032 3.992 3.960 -0.000 0.000 0.232 161 G HA3 0.032 3.992 3.960 -0.000 0.000 0.232 161 G C 0.765 175.842 174.900 0.295 0.000 1.116 161 G CA -0.099 45.055 45.100 0.090 0.000 0.767 161 G HN 0.290 nan 8.290 nan 0.000 0.547 162 F N -0.527 119.446 119.950 0.038 0.000 2.083 162 F HA 0.347 4.874 4.527 -0.000 0.000 0.259 162 F C 1.966 177.842 175.800 0.126 0.000 0.953 162 F CA 0.014 58.117 58.000 0.172 0.000 1.156 162 F CB 0.097 39.146 39.000 0.081 0.000 1.297 162 F HN -0.036 nan 8.300 nan 0.000 0.733 163 I N 1.061 121.718 120.570 0.144 0.000 2.202 163 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 163 I C 2.510 178.584 176.117 -0.073 0.000 1.091 163 I CA 1.602 62.903 61.300 0.001 0.000 1.368 163 I CB -0.506 37.538 38.000 0.074 0.000 1.058 163 I HN 0.176 nan 8.210 nan 0.000 0.410 164 R N 1.048 121.528 120.500 -0.034 0.000 2.066 164 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 164 R C -0.420 175.862 176.300 -0.029 0.000 1.131 164 R CA 1.530 57.624 56.100 -0.010 0.000 0.955 164 R CB -1.042 29.293 30.300 0.059 0.000 0.851 164 R HN 0.184 nan 8.270 nan 0.000 0.432 165 P HA -0.159 nan 4.420 nan 0.000 0.215 165 P C 1.085 178.203 177.300 -0.303 0.000 1.153 165 P CA 1.409 64.463 63.100 -0.076 0.000 0.853 165 P CB -0.018 31.735 31.700 0.089 0.000 0.788 166 I N -1.464 118.868 120.570 -0.397 0.000 2.226 166 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 166 I C 2.163 178.099 176.117 -0.302 0.000 1.100 166 I CA 1.381 62.387 61.300 -0.490 0.000 1.374 166 I CB -0.573 37.108 38.000 -0.532 0.000 1.057 166 I HN -0.090 nan 8.210 nan 0.000 0.413 167 L N -0.437 120.669 121.223 -0.196 0.000 2.201 167 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 167 L C 2.443 179.242 176.870 -0.118 0.000 1.105 167 L CA 0.716 55.480 54.840 -0.127 0.000 0.775 167 L CB -0.351 41.664 42.059 -0.073 0.000 0.913 167 L HN 0.300 nan 8.230 nan 0.000 0.440 168 M N -0.939 118.587 119.600 -0.123 0.000 2.447 168 M HA 0.108 4.588 4.480 -0.000 0.000 0.264 168 M C 1.660 177.873 176.300 -0.144 0.000 1.095 168 M CA 1.158 56.397 55.300 -0.102 0.000 1.125 168 M CB -0.693 31.871 32.600 -0.059 0.000 1.389 168 M HN 0.405 nan 8.290 nan 0.000 0.459 169 G N 1.127 109.797 108.800 -0.217 0.000 2.163 169 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.213 169 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.213 169 G C 0.121 174.835 174.900 -0.309 0.000 0.991 169 G CA 0.372 45.325 45.100 -0.246 0.000 0.653 169 G HN 0.692 nan 8.290 nan 0.000 0.518 170 S N -2.180 113.307 115.700 -0.354 0.000 2.558 170 S HA 0.496 4.966 4.470 -0.000 0.000 0.277 170 S C 0.201 174.609 174.600 -0.321 0.000 1.143 170 S CA -0.145 57.834 58.200 -0.368 0.000 0.865 170 S CB 0.373 63.471 63.200 -0.170 0.000 1.102 170 S HN 0.459 nan 8.310 nan 0.000 0.454 171 W N 1.506 122.744 121.300 -0.104 0.000 2.595 171 W HA 0.012 4.672 4.660 -0.000 0.000 0.257 171 W C 2.590 178.943 176.519 -0.276 0.000 1.267 171 W CA 0.561 57.811 57.345 -0.158 0.000 1.300 171 W CB -0.073 29.301 29.460 -0.144 0.000 1.120 171 W HN 0.928 nan 8.180 nan 0.000 0.618 172 S N 0.017 115.720 115.700 0.005 0.000 2.442 172 S HA -0.194 4.276 4.470 -0.000 0.000 0.236 172 S C 1.468 176.083 174.600 0.026 0.000 1.007 172 S CA 1.168 59.346 58.200 -0.036 0.000 0.965 172 S CB -0.278 62.920 63.200 -0.002 0.000 0.773 172 S HN 0.235 nan 8.310 nan 0.000 0.504 173 E N 1.768 122.011 120.200 0.072 0.000 2.358 173 E HA 0.273 4.623 4.350 -0.000 0.000 0.195 173 E C 1.173 177.975 176.600 0.337 0.000 1.010 173 E CA 0.572 57.096 56.400 0.206 0.000 0.856 173 E CB -0.431 29.360 29.700 0.153 0.000 0.795 173 E HN 0.726 nan 8.360 nan 0.000 0.504 174 A N 1.014 123.922 122.820 0.147 0.000 2.366 174 A HA 0.224 4.544 4.320 -0.000 0.000 0.250 174 A C 0.427 177.900 177.584 -0.185 0.000 1.099 174 A CA -0.353 51.732 52.037 0.080 0.000 0.794 174 A CB 0.480 19.593 19.000 0.188 0.000 1.056 174 A HN -0.039 nan 8.150 nan 0.000 0.499 175 V N 2.659 122.318 119.914 -0.425 0.000 2.546 175 V HA 0.320 4.439 4.120 -0.000 0.000 0.284 175 V C -1.777 174.085 176.094 -0.387 0.000 1.050 175 V CA -1.011 60.783 62.300 -0.845 0.000 0.981 175 V CB 0.910 32.220 31.823 -0.856 0.000 0.990 175 V HN 0.869 nan 8.190 nan 0.000 0.474 176 P HA 0.252 nan 4.420 nan 0.000 0.279 176 P C -1.487 175.776 177.300 -0.062 0.000 1.252 176 P CA -0.496 62.536 63.100 -0.112 0.000 0.811 176 P CB 0.666 32.392 31.700 0.044 0.000 1.035 177 Y N 0.483 120.990 120.300 0.346 0.000 2.595 177 Y HA 0.590 5.140 4.550 -0.000 0.000 0.347 177 Y C 1.267 177.362 175.900 0.324 0.000 1.025 177 Y CA 0.203 58.463 58.100 0.266 0.000 1.295 177 Y CB 0.321 38.895 38.460 0.190 0.000 1.147 177 Y HN 0.550 nan 8.280 nan 0.000 0.515 178 G N 1.748 110.783 108.800 0.393 0.000 2.616 178 G HA2 0.329 4.288 3.960 -0.000 0.000 0.294 178 G HA3 0.329 4.288 3.960 -0.000 0.000 0.294 178 G C -0.072 175.003 174.900 0.292 0.000 1.489 178 G CA -0.770 44.572 45.100 0.403 0.000 0.836 178 G HN 0.207 nan 8.290 nan 0.000 0.527 179 I N 0.776 121.448 120.570 0.170 0.000 2.072 179 I HA -0.025 4.145 4.170 -0.000 0.000 0.235 179 I C 2.536 178.804 176.117 0.251 0.000 1.058 179 I CA 1.421 62.755 61.300 0.058 0.000 1.320 179 I CB -0.994 36.738 38.000 -0.447 0.000 1.047 179 I HN 0.460 nan 8.210 nan 0.000 0.397 180 F N 1.769 121.710 119.950 -0.016 0.000 2.206 180 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 180 F C 2.991 178.809 175.800 0.030 0.000 1.090 180 F CA 1.113 59.069 58.000 -0.074 0.000 1.323 180 F CB -1.680 37.175 39.000 -0.241 0.000 1.028 180 F HN 0.185 nan 8.300 nan 0.000 0.492 181 S N 0.122 116.002 115.700 0.301 0.000 2.383 181 S HA -0.267 4.203 4.470 -0.000 0.000 0.229 181 S C 2.056 176.844 174.600 0.314 0.000 1.030 181 S CA 1.616 59.981 58.200 0.275 0.000 1.002 181 S CB -1.306 62.054 63.200 0.266 0.000 0.829 181 S HN 0.656 nan 8.310 nan 0.000 0.467 182 H N 1.910 121.100 119.070 0.199 0.000 2.495 182 H HA 0.188 4.744 4.556 -0.000 0.000 0.287 182 H C 1.883 177.361 175.328 0.250 0.000 1.033 182 H CA 1.025 57.189 56.048 0.193 0.000 1.307 182 H CB -0.532 29.299 29.762 0.115 0.000 1.401 182 H HN 0.430 nan 8.280 nan 0.000 0.555 183 L N 0.739 121.859 121.223 -0.172 0.000 2.044 183 L HA -0.120 4.220 4.340 -0.000 0.000 0.205 183 L C 2.328 179.215 176.870 0.028 0.000 1.075 183 L CA 1.247 55.984 54.840 -0.171 0.000 0.747 183 L CB -0.328 41.655 42.059 -0.127 0.000 0.903 183 L HN 0.131 nan 8.230 nan 0.000 0.435 184 D N -0.513 119.940 120.400 0.090 0.000 2.123 184 D HA -0.257 4.383 4.640 -0.000 0.000 0.196 184 D C 1.755 178.153 176.300 0.163 0.000 0.992 184 D CA 1.295 55.355 54.000 0.100 0.000 0.833 184 D CB -0.303 40.566 40.800 0.114 0.000 0.954 184 D HN 0.430 nan 8.370 nan 0.000 0.455 185 W N 1.757 123.094 121.300 0.061 0.000 2.342 185 W HA -0.217 4.443 4.660 -0.000 0.000 0.297 185 W C 2.204 178.790 176.519 0.112 0.000 1.213 185 W CA 2.129 59.533 57.345 0.099 0.000 1.251 185 W CB -0.304 29.228 29.460 0.121 0.000 1.136 185 W HN -0.149 nan 8.180 nan 0.000 0.526 186 T N 0.327 115.119 114.554 0.396 0.000 2.708 186 T HA -0.288 4.062 4.350 -0.000 0.000 0.266 186 T C 1.424 176.132 174.700 0.013 0.000 1.037 186 T CA 1.782 64.008 62.100 0.208 0.000 1.146 186 T CB -0.719 68.255 68.868 0.177 0.000 0.865 186 T HN 0.278 nan 8.240 nan 0.000 0.435 187 N N 1.652 120.356 118.700 0.008 0.000 2.084 187 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 187 N C 1.677 177.157 175.510 -0.051 0.000 1.030 187 N CA 1.751 54.784 53.050 -0.029 0.000 0.849 187 N CB -0.529 37.943 38.487 -0.025 0.000 1.012 187 N HN 0.350 nan 8.380 nan 0.000 0.423 188 N N -0.979 117.678 118.700 -0.071 0.000 2.166 188 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 188 N C 1.545 176.958 175.510 -0.161 0.000 1.019 188 N CA 1.002 53.982 53.050 -0.116 0.000 0.856 188 N CB -0.477 37.934 38.487 -0.126 0.000 0.993 188 N HN 0.309 nan 8.380 nan 0.000 0.426 189 F N 0.506 120.205 119.950 -0.418 0.000 2.126 189 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 189 F C 2.688 178.444 175.800 -0.074 0.000 1.096 189 F CA 1.568 59.335 58.000 -0.388 0.000 1.255 189 F CB -0.875 37.645 39.000 -0.800 0.000 0.997 189 F HN 0.078 nan 8.300 nan 0.000 0.479 190 S N 0.128 115.906 115.700 0.130 0.000 2.355 190 S HA -0.139 4.331 4.470 -0.000 0.000 0.222 190 S C 2.177 176.788 174.600 0.018 0.000 1.031 190 S CA 1.398 59.638 58.200 0.065 0.000 0.993 190 S CB -0.528 62.625 63.200 -0.078 0.000 0.859 190 S HN 0.426 nan 8.310 nan 0.000 0.453 191 L N 0.990 122.192 121.223 -0.036 0.000 2.012 191 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 191 L C 2.460 179.276 176.870 -0.090 0.000 1.073 191 L CA 1.143 55.952 54.840 -0.051 0.000 0.748 191 L CB -0.630 41.389 42.059 -0.066 0.000 0.891 191 L HN 0.227 nan 8.230 nan 0.000 0.431 192 V N -1.053 118.756 119.914 -0.176 0.000 2.759 192 V HA -0.255 3.865 4.120 -0.000 0.000 0.256 192 V C 1.274 177.088 176.094 -0.467 0.000 1.080 192 V CA 1.538 63.636 62.300 -0.338 0.000 1.101 192 V CB -0.831 30.704 31.823 -0.479 0.000 0.698 192 V HN 0.490 nan 8.190 nan 0.000 0.477 193 H N -0.518 118.443 119.070 -0.182 0.000 2.487 193 H HA 0.455 5.011 4.556 -0.000 0.000 0.290 193 H C 1.489 176.877 175.328 0.101 0.000 1.081 193 H CA 0.434 56.431 56.048 -0.085 0.000 1.116 193 H CB 0.141 29.859 29.762 -0.073 0.000 1.560 193 H HN 0.358 nan 8.280 nan 0.000 0.548 194 G N 1.601 110.482 108.800 0.135 0.000 2.160 194 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.244 194 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.244 194 G C -0.160 174.946 174.900 0.342 0.000 1.022 194 G CA 0.234 45.457 45.100 0.206 0.000 0.741 194 G HN 0.801 nan 8.290 nan 0.000 0.508 195 N N -1.900 116.947 118.700 0.246 0.000 3.925 195 N HA -0.139 4.601 4.740 -0.000 0.000 0.278 195 N C 1.027 176.636 175.510 0.164 0.000 2.104 195 N CA 0.344 53.506 53.050 0.187 0.000 2.544 195 N CB -0.687 37.994 38.487 0.323 0.000 0.490 195 N HN 0.279 nan 8.380 nan 0.000 0.551 196 L N 3.086 124.216 121.223 -0.155 0.000 2.456 196 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 196 L C 1.474 178.186 176.870 -0.263 0.000 1.148 196 L CA 0.678 55.288 54.840 -0.382 0.000 0.825 196 L CB -0.365 41.156 42.059 -0.897 0.000 0.937 196 L HN 0.563 nan 8.230 nan 0.000 0.450 197 F N -1.283 118.587 119.950 -0.134 0.000 2.641 197 F HA -0.137 4.390 4.527 -0.000 0.000 0.298 197 F C 1.592 177.257 175.800 -0.226 0.000 1.146 197 F CA 0.553 58.473 58.000 -0.134 0.000 1.464 197 F CB -0.645 38.209 39.000 -0.244 0.000 1.101 197 F HN 0.079 nan 8.300 nan 0.000 0.585 198 Y N -1.635 118.833 120.300 0.280 0.000 2.458 198 Y HA 0.153 4.703 4.550 -0.000 0.000 0.256 198 Y C 0.977 176.992 175.900 0.192 0.000 1.159 198 Y CA -0.562 57.728 58.100 0.317 0.000 1.261 198 Y CB -0.291 38.447 38.460 0.462 0.000 1.119 198 Y HN -0.178 nan 8.280 nan 0.000 0.524 199 N N 2.748 121.391 118.700 -0.095 0.000 2.437 199 N HA 0.078 4.818 4.740 -0.000 0.000 0.243 199 N C -1.857 173.442 175.510 -0.353 0.000 1.041 199 N CA -2.207 50.347 53.050 -0.827 0.000 0.940 199 N CB 1.293 38.978 38.487 -1.336 0.000 1.133 199 N HN 0.005 nan 8.380 nan 0.000 0.506 200 P HA -0.147 nan 4.420 nan 0.000 0.217 200 P C 1.072 178.214 177.300 -0.263 0.000 1.148 200 P CA 1.227 64.213 63.100 -0.189 0.000 0.828 200 P CB 0.047 31.653 31.700 -0.156 0.000 0.783 201 F N -0.862 118.981 119.950 -0.179 0.000 2.259 201 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 201 F C 2.890 178.661 175.800 -0.049 0.000 1.088 201 F CA 1.037 58.991 58.000 -0.077 0.000 1.358 201 F CB -1.244 37.712 39.000 -0.075 0.000 1.040 201 F HN 0.096 nan 8.300 nan 0.000 0.505 202 H N 0.228 119.268 119.070 -0.049 0.000 2.326 202 H HA -0.125 4.431 4.556 -0.000 0.000 0.301 202 H C 1.287 176.589 175.328 -0.042 0.000 1.081 202 H CA 1.842 57.854 56.048 -0.060 0.000 1.334 202 H CB -0.042 29.635 29.762 -0.142 0.000 1.385 202 H HN 0.105 nan 8.280 nan 0.000 0.504 203 D N 0.741 121.097 120.400 -0.073 0.000 2.178 203 D HA -0.092 4.548 4.640 -0.000 0.000 0.202 203 D C 2.572 178.740 176.300 -0.221 0.000 0.974 203 D CA 0.408 54.322 54.000 -0.143 0.000 0.841 203 D CB -0.180 40.592 40.800 -0.046 0.000 0.953 203 D HN 0.371 nan 8.370 nan 0.000 0.478 204 L N 0.196 121.318 121.223 -0.168 0.000 2.056 204 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 204 L C 2.486 179.228 176.870 -0.213 0.000 1.078 204 L CA 0.825 55.523 54.840 -0.237 0.000 0.749 204 L CB -0.329 41.702 42.059 -0.048 0.000 0.901 204 L HN -0.002 nan 8.230 nan 0.000 0.433 205 S N 0.203 115.901 115.700 -0.003 0.000 2.370 205 S HA -0.194 4.276 4.470 -0.000 0.000 0.226 205 S C 1.945 176.483 174.600 -0.103 0.000 1.033 205 S CA 1.335 59.589 58.200 0.090 0.000 1.011 205 S CB -0.236 62.984 63.200 0.034 0.000 0.852 205 S HN 0.310 nan 8.310 nan 0.000 0.457 206 I N 1.334 121.701 120.570 -0.339 0.000 2.252 206 I HA -0.126 4.043 4.170 -0.000 0.000 0.245 206 I C 2.778 178.524 176.117 -0.619 0.000 1.102 206 I CA 1.012 61.973 61.300 -0.565 0.000 1.385 206 I CB -0.543 37.069 38.000 -0.648 0.000 1.064 206 I HN 0.375 nan 8.210 nan 0.000 0.414 207 A N 0.827 123.362 122.820 -0.474 0.000 1.940 207 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 207 A C 1.985 179.411 177.584 -0.263 0.000 1.176 207 A CA 1.642 53.441 52.037 -0.396 0.000 0.631 207 A CB -0.814 17.879 19.000 -0.510 0.000 0.814 207 A HN 0.347 nan 8.150 nan 0.000 0.446 208 F N -1.093 118.840 119.950 -0.027 0.000 2.293 208 F HA 0.022 4.549 4.527 -0.000 0.000 0.297 208 F C 1.936 177.778 175.800 0.070 0.000 1.089 208 F CA 0.742 58.772 58.000 0.050 0.000 1.377 208 F CB -0.669 38.370 39.000 0.065 0.000 1.051 208 F HN 0.225 nan 8.300 nan 0.000 0.511 209 L N -0.888 120.430 121.223 0.158 0.000 2.027 209 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 209 L C 2.170 179.217 176.870 0.295 0.000 1.074 209 L CA 1.781 56.718 54.840 0.160 0.000 0.745 209 L CB -0.892 41.193 42.059 0.042 0.000 0.898 209 L HN -0.059 nan 8.230 nan 0.000 0.433 210 F N 0.150 120.157 119.950 0.096 0.000 2.146 210 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 210 F C 2.562 178.440 175.800 0.130 0.000 1.096 210 F CA 0.845 58.896 58.000 0.085 0.000 1.275 210 F CB -1.834 37.181 39.000 0.026 0.000 1.008 210 F HN 0.189 nan 8.300 nan 0.000 0.480 211 G N -0.907 108.091 108.800 0.330 0.000 2.450 211 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 211 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 211 G C 1.908 176.998 174.900 0.316 0.000 1.130 211 G CA 1.177 46.455 45.100 0.297 0.000 0.760 211 G HN 0.368 nan 8.290 nan 0.000 0.557 212 S N 0.772 116.646 115.700 0.290 0.000 2.383 212 S HA 0.056 4.526 4.470 -0.000 0.000 0.227 212 S C 2.744 177.503 174.600 0.266 0.000 1.026 212 S CA 1.078 59.422 58.200 0.240 0.000 0.981 212 S CB -0.239 63.089 63.200 0.213 0.000 0.818 212 S HN 0.579 nan 8.310 nan 0.000 0.472 213 A N 0.887 123.876 122.820 0.280 0.000 1.929 213 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 213 A C 1.824 179.553 177.584 0.241 0.000 1.176 213 A CA 1.766 53.955 52.037 0.254 0.000 0.628 213 A CB -0.852 18.274 19.000 0.210 0.000 0.816 213 A HN 0.606 nan 8.150 nan 0.000 0.444 214 H N -0.375 118.787 119.070 0.154 0.000 2.293 214 H HA -0.111 4.445 4.556 -0.000 0.000 0.300 214 H C 1.789 177.185 175.328 0.113 0.000 1.082 214 H CA 2.010 58.128 56.048 0.117 0.000 1.308 214 H CB -0.303 29.519 29.762 0.101 0.000 1.375 214 H HN 0.291 nan 8.280 nan 0.000 0.495 215 L N -0.766 120.497 121.223 0.067 0.000 2.056 215 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 215 L C 2.034 178.973 176.870 0.115 0.000 1.078 215 L CA 1.526 56.348 54.840 -0.030 0.000 0.749 215 L CB -1.072 40.998 42.059 0.019 0.000 0.901 215 L HN 0.295 nan 8.230 nan 0.000 0.433 216 F N 0.194 120.172 119.950 0.046 0.000 2.293 216 F HA 0.000 4.527 4.527 -0.000 0.000 0.300 216 F C 2.344 178.186 175.800 0.070 0.000 1.086 216 F CA 0.608 58.661 58.000 0.087 0.000 1.375 216 F CB -0.947 38.110 39.000 0.096 0.000 1.045 216 F HN 0.218 nan 8.300 nan 0.000 0.516 217 A N -0.202 122.749 122.820 0.217 0.000 1.897 217 A HA -0.177 4.143 4.320 -0.000 0.000 0.215 217 A C 2.346 179.989 177.584 0.098 0.000 1.181 217 A CA 1.474 53.566 52.037 0.092 0.000 0.620 217 A CB -0.622 18.418 19.000 0.066 0.000 0.821 217 A HN 0.338 nan 8.150 nan 0.000 0.443 218 M N -1.752 117.887 119.600 0.066 0.000 2.065 218 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 218 M C 2.318 178.753 176.300 0.224 0.000 1.069 218 M CA 2.182 57.543 55.300 0.102 0.000 1.110 218 M CB -0.524 31.962 32.600 -0.189 0.000 1.328 218 M HN 0.692 nan 8.290 nan 0.000 0.405 219 H N -0.174 118.976 119.070 0.134 0.000 2.357 219 H HA -0.034 4.522 4.556 -0.000 0.000 0.301 219 H C 1.952 177.412 175.328 0.219 0.000 1.082 219 H CA 2.080 58.247 56.048 0.198 0.000 1.342 219 H CB -0.582 29.274 29.762 0.156 0.000 1.389 219 H HN 0.334 nan 8.280 nan 0.000 0.511 220 G N -0.138 108.760 108.800 0.163 0.000 2.418 220 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 220 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 220 G C 1.905 176.753 174.900 -0.086 0.000 1.158 220 G CA 1.008 46.086 45.100 -0.037 0.000 0.771 220 G HN 0.602 nan 8.290 nan 0.000 0.545 221 A N 0.136 122.935 122.820 -0.035 0.000 1.898 221 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 221 A C 2.530 180.055 177.584 -0.099 0.000 1.181 221 A CA 2.380 54.376 52.037 -0.069 0.000 0.620 221 A CB -0.896 18.082 19.000 -0.037 0.000 0.819 221 A HN 0.292 nan 8.150 nan 0.000 0.442 222 T N 0.593 115.128 114.554 -0.032 0.000 2.674 222 T HA -0.117 4.233 4.350 -0.000 0.000 0.265 222 T C 1.803 176.459 174.700 -0.073 0.000 1.039 222 T CA 1.522 63.591 62.100 -0.051 0.000 1.150 222 T CB -0.294 68.699 68.868 0.207 0.000 0.864 222 T HN 0.288 nan 8.240 nan 0.000 0.427 223 I N 1.119 121.637 120.570 -0.086 0.000 2.226 223 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 223 I C 2.338 178.412 176.117 -0.072 0.000 1.100 223 I CA 1.242 62.501 61.300 -0.068 0.000 1.374 223 I CB -1.284 36.632 38.000 -0.140 0.000 1.057 223 I HN 0.276 nan 8.210 nan 0.000 0.413 224 L N 0.485 121.641 121.223 -0.113 0.000 2.093 224 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 224 L C 2.745 179.538 176.870 -0.128 0.000 1.085 224 L CA 1.153 55.915 54.840 -0.130 0.000 0.755 224 L CB -0.652 41.310 42.059 -0.162 0.000 0.904 224 L HN 0.170 nan 8.230 nan 0.000 0.435 225 A N 0.017 122.758 122.820 -0.132 0.000 1.972 225 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 225 A C 1.892 179.439 177.584 -0.062 0.000 1.169 225 A CA 1.778 53.734 52.037 -0.136 0.000 0.635 225 A CB -0.563 18.307 19.000 -0.217 0.000 0.810 225 A HN 0.349 nan 8.150 nan 0.000 0.446 226 V N -1.816 118.095 119.914 -0.006 0.000 3.271 226 V HA 0.152 4.272 4.120 -0.000 0.000 0.327 226 V C 1.518 177.665 176.094 0.088 0.000 1.389 226 V CA 0.826 63.225 62.300 0.166 0.000 1.156 226 V CB -0.732 31.211 31.823 0.200 0.000 1.103 226 V HN 0.545 nan 8.190 nan 0.000 0.453 227 S N 2.197 117.875 115.700 -0.036 0.000 2.447 227 S HA -0.205 4.265 4.470 -0.000 0.000 0.233 227 S C 1.936 176.468 174.600 -0.113 0.000 1.006 227 S CA 1.130 59.301 58.200 -0.048 0.000 0.957 227 S CB -0.669 62.489 63.200 -0.069 0.000 0.773 227 S HN 0.866 nan 8.310 nan 0.000 0.507 228 R N -0.014 120.318 120.500 -0.279 0.000 2.328 228 R HA 0.090 4.430 4.340 -0.000 0.000 0.207 228 R C 0.134 176.066 176.300 -0.614 0.000 1.056 228 R CA 0.848 56.665 56.100 -0.470 0.000 1.016 228 R CB -0.610 29.287 30.300 -0.673 0.000 0.872 228 R HN 0.524 nan 8.270 nan 0.000 0.471 229 F N 0.305 120.254 119.950 -0.001 0.000 2.764 229 F HA 0.441 4.968 4.527 -0.000 0.000 0.310 229 F C 1.096 176.904 175.800 0.013 0.000 1.124 229 F CA -0.470 57.532 58.000 0.004 0.000 1.252 229 F CB 1.102 40.100 39.000 -0.004 0.000 1.010 229 F HN 0.192 nan 8.300 nan 0.000 0.518 230 G N 0.616 109.476 108.800 0.100 0.000 2.198 230 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 230 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 230 G C 1.444 176.405 174.900 0.102 0.000 1.025 230 G CA 0.266 45.415 45.100 0.083 0.000 0.769 230 G HN 0.698 nan 8.290 nan 0.000 0.507 231 G N 0.808 109.679 108.800 0.119 0.000 2.462 231 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 231 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 231 G C 1.453 176.420 174.900 0.112 0.000 1.121 231 G CA 1.469 46.648 45.100 0.131 0.000 0.758 231 G HN 0.865 nan 8.290 nan 0.000 0.559 232 E N 0.948 121.190 120.200 0.070 0.000 2.482 232 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 232 E C 0.946 177.584 176.600 0.063 0.000 1.047 232 E CA -0.053 56.385 56.400 0.063 0.000 0.869 232 E CB -0.185 29.528 29.700 0.022 0.000 0.836 232 E HN 0.297 nan 8.360 nan 0.000 0.520 233 R N 1.702 122.239 120.500 0.061 0.000 4.138 233 R HA 0.135 4.475 4.340 -0.000 0.000 0.206 233 R C 0.823 177.157 176.300 0.056 0.000 1.667 233 R CA -0.039 56.088 56.100 0.045 0.000 1.481 233 R CB 0.091 30.415 30.300 0.041 0.000 1.388 233 R HN 0.254 nan 8.270 nan 0.000 0.776 234 E N 0.847 121.082 120.200 0.059 0.000 2.077 234 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 234 E C 1.384 177.987 176.600 0.006 0.000 0.989 234 E CA 1.105 57.543 56.400 0.063 0.000 0.800 234 E CB 0.008 29.744 29.700 0.061 0.000 0.746 234 E HN 0.476 nan 8.360 nan 0.000 0.452 235 L N 0.725 121.930 121.223 -0.031 0.000 2.042 235 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 235 L C 2.573 179.436 176.870 -0.012 0.000 1.076 235 L CA 1.208 56.022 54.840 -0.044 0.000 0.749 235 L CB -0.240 41.786 42.059 -0.055 0.000 0.893 235 L HN 0.086 nan 8.230 nan 0.000 0.432 236 E N -0.499 119.705 120.200 0.006 0.000 2.208 236 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 236 E C 2.215 178.836 176.600 0.034 0.000 0.988 236 E CA 0.766 57.176 56.400 0.017 0.000 0.828 236 E CB 0.109 29.821 29.700 0.020 0.000 0.763 236 E HN 0.300 nan 8.360 nan 0.000 0.478 237 Q N -0.288 119.544 119.800 0.053 0.000 2.230 237 Q HA -0.036 4.304 4.340 -0.000 0.000 0.202 237 Q C 2.183 178.226 176.000 0.072 0.000 0.963 237 Q CA 0.774 56.625 55.803 0.080 0.000 0.866 237 Q CB 0.097 28.909 28.738 0.124 0.000 0.931 237 Q HN 0.443 nan 8.270 nan 0.000 0.452 238 I N 0.161 120.758 120.570 0.045 0.000 2.286 238 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 238 I C 2.135 178.265 176.117 0.021 0.000 1.104 238 I CA 0.936 62.252 61.300 0.027 0.000 1.397 238 I CB -0.209 37.786 38.000 -0.009 0.000 1.072 238 I HN 0.019 nan 8.210 nan 0.000 0.417 239 A N -0.759 122.069 122.820 0.014 0.000 2.067 239 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 239 A C 0.626 178.222 177.584 0.020 0.000 1.156 239 A CA 1.195 53.239 52.037 0.011 0.000 0.683 239 A CB -0.067 18.934 19.000 0.003 0.000 0.808 239 A HN 0.409 nan 8.150 nan 0.000 0.455 240 D N -1.180 119.238 120.400 0.029 0.000 2.584 240 D HA 0.110 4.750 4.640 -0.000 0.000 0.238 240 D C -0.373 175.953 176.300 0.044 0.000 1.302 240 D CA -0.438 53.581 54.000 0.032 0.000 0.884 240 D CB -0.088 40.728 40.800 0.026 0.000 1.456 240 D HN 0.211 nan 8.370 nan 0.000 0.528 241 R N 1.297 121.828 120.500 0.052 0.000 2.504 241 R HA 0.263 4.603 4.340 -0.000 0.000 0.302 241 R C 0.355 176.687 176.300 0.052 0.000 0.893 241 R CA 0.932 57.072 56.100 0.066 0.000 1.138 241 R CB 0.148 30.490 30.300 0.070 0.000 0.880 241 R HN 0.411 nan 8.270 nan 0.000 0.415 242 G N 0.948 109.783 108.800 0.058 0.000 2.820 242 G HA2 0.094 4.054 3.960 -0.000 0.000 0.291 242 G HA3 0.094 4.054 3.960 -0.000 0.000 0.291 242 G C 0.467 175.367 174.900 -0.001 0.000 1.323 242 G CA -0.286 44.836 45.100 0.037 0.000 1.055 242 G HN 0.567 nan 8.290 nan 0.000 0.520 243 T N -0.528 113.995 114.554 -0.052 0.000 2.962 243 T HA -0.008 4.342 4.350 -0.000 0.000 0.270 243 T C 2.519 177.067 174.700 -0.253 0.000 1.088 243 T CA 2.191 64.183 62.100 -0.181 0.000 1.127 243 T CB -0.495 68.205 68.868 -0.279 0.000 0.883 243 T HN 0.626 nan 8.240 nan 0.000 0.493 244 A N 1.113 123.878 122.820 -0.092 0.000 1.858 244 A HA 0.199 4.518 4.320 -0.000 0.000 0.216 244 A C 2.706 180.294 177.584 0.006 0.000 1.190 244 A CA 1.941 53.987 52.037 0.015 0.000 0.617 244 A CB -1.340 17.767 19.000 0.178 0.000 0.827 244 A HN 0.621 nan 8.150 nan 0.000 0.443 245 A N -0.551 122.320 122.820 0.084 0.000 2.015 245 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 245 A C 1.906 179.535 177.584 0.075 0.000 1.163 245 A CA 1.560 53.711 52.037 0.190 0.000 0.646 245 A CB -0.433 18.733 19.000 0.276 0.000 0.806 245 A HN 0.662 nan 8.150 nan 0.000 0.448 246 E N -0.486 119.698 120.200 -0.026 0.000 2.072 246 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 246 E C 2.272 178.742 176.600 -0.218 0.000 0.982 246 E CA 0.744 57.093 56.400 -0.085 0.000 0.803 246 E CB -0.125 29.521 29.700 -0.090 0.000 0.755 246 E HN 0.548 nan 8.360 nan 0.000 0.453 247 R N 0.560 120.895 120.500 -0.275 0.000 2.115 247 R HA -0.029 4.311 4.340 -0.000 0.000 0.230 247 R C 2.307 178.387 176.300 -0.367 0.000 1.111 247 R CA 0.952 56.844 56.100 -0.346 0.000 0.976 247 R CB -0.189 29.897 30.300 -0.356 0.000 0.870 247 R HN 0.072 nan 8.270 nan 0.000 0.445 248 A N 1.455 124.043 122.820 -0.386 0.000 1.873 248 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 248 A C 2.397 179.505 177.584 -0.793 0.000 1.186 248 A CA 1.491 53.169 52.037 -0.598 0.000 0.616 248 A CB -0.591 17.968 19.000 -0.735 0.000 0.823 248 A HN 0.356 nan 8.150 nan 0.000 0.442 249 A N -0.197 122.216 122.820 -0.678 0.000 1.902 249 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 249 A C 2.147 179.580 177.584 -0.251 0.000 1.181 249 A CA 1.564 53.423 52.037 -0.295 0.000 0.623 249 A CB -0.622 18.440 19.000 0.104 0.000 0.818 249 A HN 0.469 nan 8.150 nan 0.000 0.443 250 L N -2.153 118.813 121.223 -0.427 0.000 2.217 250 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 250 L C 2.410 178.743 176.870 -0.896 0.000 1.107 250 L CA 1.055 55.431 54.840 -0.774 0.000 0.783 250 L CB -0.460 40.944 42.059 -1.091 0.000 0.919 250 L HN 0.521 nan 8.230 nan 0.000 0.442 251 F N 0.048 119.535 119.950 -0.772 0.000 2.102 251 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 251 F C 1.935 177.334 175.800 -0.668 0.000 1.105 251 F CA 1.659 59.214 58.000 -0.742 0.000 1.239 251 F CB -0.323 38.147 39.000 -0.883 0.000 0.991 251 F HN -0.020 nan 8.300 nan 0.000 0.474 252 W N 0.247 121.454 121.300 -0.153 0.000 2.584 252 W HA 0.047 4.707 4.660 -0.000 0.000 0.264 252 W C 2.662 179.076 176.519 -0.174 0.000 1.264 252 W CA 0.657 57.932 57.345 -0.117 0.000 1.306 252 W CB -0.296 29.232 29.460 0.113 0.000 1.110 252 W HN -0.096 nan 8.180 nan 0.000 0.606 253 R N -0.367 120.145 120.500 0.020 0.000 2.075 253 R HA -0.125 4.215 4.340 -0.000 0.000 0.226 253 R C 1.841 178.210 176.300 0.115 0.000 1.114 253 R CA 1.543 57.694 56.100 0.085 0.000 0.972 253 R CB -0.604 29.741 30.300 0.075 0.000 0.869 253 R HN 0.108 nan 8.270 nan 0.000 0.437 254 W N 0.550 121.726 121.300 -0.207 0.000 2.436 254 W HA 0.037 4.697 4.660 -0.000 0.000 0.284 254 W C 2.059 178.383 176.519 -0.326 0.000 1.225 254 W CA 0.893 58.087 57.345 -0.252 0.000 1.271 254 W CB -0.958 28.327 29.460 -0.292 0.000 1.114 254 W HN 0.108 nan 8.180 nan 0.000 0.559 255 T N -0.116 114.287 114.554 -0.251 0.000 2.770 255 T HA -0.118 4.232 4.350 -0.000 0.000 0.258 255 T C 1.642 176.202 174.700 -0.233 0.000 1.039 255 T CA 1.401 63.298 62.100 -0.338 0.000 1.143 255 T CB -0.222 68.280 68.868 -0.609 0.000 0.866 255 T HN -0.063 nan 8.240 nan 0.000 0.428 256 M N -0.131 119.276 119.600 -0.322 0.000 2.340 256 M HA 0.451 4.931 4.480 -0.000 0.000 0.345 256 M C 0.947 177.057 176.300 -0.317 0.000 1.008 256 M CA 0.200 55.231 55.300 -0.448 0.000 0.987 256 M CB 0.655 32.647 32.600 -1.015 0.000 1.598 256 M HN 0.311 nan 8.290 nan 0.000 0.569 257 G N 0.984 109.712 108.800 -0.121 0.000 2.198 257 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 257 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 257 G C -0.257 174.788 174.900 0.241 0.000 1.025 257 G CA 0.063 45.204 45.100 0.068 0.000 0.769 257 G HN 0.374 nan 8.290 nan 0.000 0.507 258 F N 0.343 120.398 119.950 0.175 0.000 2.406 258 F HA 0.445 4.972 4.527 -0.000 0.000 0.327 258 F C 0.924 176.854 175.800 0.216 0.000 1.153 258 F CA -1.761 56.345 58.000 0.177 0.000 1.218 258 F CB 0.465 39.575 39.000 0.183 0.000 1.215 258 F HN -0.037 nan 8.300 nan 0.000 0.570 259 N N 0.978 119.925 118.700 0.412 0.000 2.479 259 N HA 0.241 4.981 4.740 -0.000 0.000 0.285 259 N C -1.492 174.272 175.510 0.423 0.000 1.075 259 N CA -0.282 52.970 53.050 0.338 0.000 0.967 259 N CB 1.176 39.812 38.487 0.248 0.000 1.137 259 N HN 0.732 nan 8.380 nan 0.000 0.472 260 W N 1.200 122.612 121.300 0.186 0.000 3.439 260 W HA 0.354 5.014 4.660 -0.000 0.000 0.323 260 W C -0.976 175.634 176.519 0.152 0.000 1.174 260 W CA -0.503 56.947 57.345 0.175 0.000 1.224 260 W CB 1.040 30.640 29.460 0.233 0.000 1.348 260 W HN 0.528 nan 8.180 nan 0.000 0.498 261 T N 2.533 117.004 114.554 -0.138 0.000 2.896 261 T HA 0.287 4.637 4.350 -0.000 0.000 0.297 261 T C 0.256 174.491 174.700 -0.776 0.000 1.108 261 T CA -0.739 61.283 62.100 -0.129 0.000 1.004 261 T CB 1.785 70.636 68.868 -0.028 0.000 1.159 261 T HN 0.580 nan 8.240 nan 0.000 0.499 262 M N 0.958 120.357 119.600 -0.335 0.000 2.108 262 M HA -0.010 4.470 4.480 -0.000 0.000 0.261 262 M C 2.058 178.295 176.300 -0.105 0.000 1.066 262 M CA 2.039 57.201 55.300 -0.230 0.000 1.107 262 M CB -0.800 31.877 32.600 0.128 0.000 1.356 262 M HN 0.909 nan 8.290 nan 0.000 0.406 263 E N -1.368 118.785 120.200 -0.078 0.000 2.076 263 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 263 E C 1.987 178.553 176.600 -0.057 0.000 0.979 263 E CA 1.029 57.415 56.400 -0.023 0.000 0.807 263 E CB -0.538 29.137 29.700 -0.042 0.000 0.761 263 E HN 0.613 nan 8.360 nan 0.000 0.454 264 G N 1.511 110.225 108.800 -0.143 0.000 2.442 264 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 264 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 264 G C 1.531 176.355 174.900 -0.126 0.000 1.141 264 G CA 0.869 45.895 45.100 -0.124 0.000 0.763 264 G HN 0.344 nan 8.290 nan 0.000 0.554 265 I N 0.415 120.749 120.570 -0.393 0.000 2.454 265 I HA -0.066 4.104 4.170 -0.000 0.000 0.254 265 I C 2.236 178.107 176.117 -0.409 0.000 1.156 265 I CA 1.042 62.074 61.300 -0.446 0.000 1.433 265 I CB -0.269 37.233 38.000 -0.831 0.000 1.082 265 I HN 0.266 nan 8.210 nan 0.000 0.432 266 H N -0.630 118.285 119.070 -0.258 0.000 2.529 266 H HA 0.125 4.681 4.556 -0.000 0.000 0.277 266 H C 2.144 177.393 175.328 -0.131 0.000 0.999 266 H CA 0.713 56.624 56.048 -0.229 0.000 1.256 266 H CB -0.019 29.624 29.762 -0.199 0.000 1.402 266 H HN 0.246 nan 8.280 nan 0.000 0.566 267 R N -0.864 119.636 120.500 -0.001 0.000 2.127 267 R HA -0.083 4.257 4.340 -0.000 0.000 0.217 267 R C 1.278 177.611 176.300 0.055 0.000 1.074 267 R CA 0.861 56.980 56.100 0.031 0.000 0.991 267 R CB -0.100 30.196 30.300 -0.006 0.000 0.895 267 R HN 0.379 nan 8.270 nan 0.000 0.450 268 W N 0.983 122.241 121.300 -0.069 0.000 2.381 268 W HA -0.104 4.556 4.660 -0.000 0.000 0.301 268 W C 2.481 178.955 176.519 -0.075 0.000 1.205 268 W CA 1.335 58.639 57.345 -0.068 0.000 1.285 268 W CB -0.280 29.073 29.460 -0.178 0.000 1.133 268 W HN 0.147 nan 8.180 nan 0.000 0.521 269 A N 0.291 123.134 122.820 0.038 0.000 1.851 269 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 269 A C 1.929 179.466 177.584 -0.078 0.000 1.195 269 A CA 1.883 53.855 52.037 -0.110 0.000 0.622 269 A CB -1.170 17.646 19.000 -0.307 0.000 0.831 269 A HN 0.328 nan 8.150 nan 0.000 0.444 270 I N -2.149 118.364 120.570 -0.096 0.000 2.286 270 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 270 I C 2.316 178.298 176.117 -0.225 0.000 1.115 270 I CA 1.524 62.719 61.300 -0.175 0.000 1.392 270 I CB -0.104 37.757 38.000 -0.232 0.000 1.065 270 I HN 0.624 nan 8.210 nan 0.000 0.418 271 W N -0.215 121.032 121.300 -0.090 0.000 2.409 271 W HA -0.200 4.460 4.660 -0.000 0.000 0.299 271 W C 2.471 178.896 176.519 -0.155 0.000 1.203 271 W CA 0.839 58.101 57.345 -0.139 0.000 1.298 271 W CB -0.343 28.997 29.460 -0.200 0.000 1.127 271 W HN 0.137 nan 8.180 nan 0.000 0.528 272 M N 1.042 120.742 119.600 0.167 0.000 2.082 272 M HA -0.172 4.308 4.480 -0.000 0.000 0.258 272 M C 2.048 178.391 176.300 0.071 0.000 1.069 272 M CA 2.458 57.850 55.300 0.154 0.000 1.102 272 M CB -0.874 31.867 32.600 0.236 0.000 1.336 272 M HN -0.031 nan 8.290 nan 0.000 0.404 273 A N -1.197 121.645 122.820 0.037 0.000 1.854 273 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 273 A C 2.181 179.765 177.584 0.000 0.000 1.192 273 A CA 1.771 53.826 52.037 0.031 0.000 0.611 273 A CB -1.285 17.715 19.000 -0.001 0.000 0.832 273 A HN 0.352 nan 8.150 nan 0.000 0.442 274 V N 0.336 120.214 119.914 -0.059 0.000 2.380 274 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 274 V C 2.506 178.572 176.094 -0.047 0.000 1.063 274 V CA 2.029 64.285 62.300 -0.073 0.000 1.055 274 V CB -0.698 30.987 31.823 -0.231 0.000 0.657 274 V HN 0.563 nan 8.190 nan 0.000 0.455 275 L N -0.918 120.220 121.223 -0.142 0.000 2.275 275 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 275 L C 2.313 179.113 176.870 -0.115 0.000 1.119 275 L CA 0.544 55.194 54.840 -0.318 0.000 0.790 275 L CB -0.488 40.895 42.059 -1.127 0.000 0.919 275 L HN 0.216 nan 8.230 nan 0.000 0.443 276 V N 0.052 119.984 119.914 0.029 0.000 2.220 276 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 276 V C 2.619 178.813 176.094 0.166 0.000 1.049 276 V CA 2.627 65.034 62.300 0.177 0.000 1.003 276 V CB -0.975 30.939 31.823 0.153 0.000 0.634 276 V HN 0.658 nan 8.190 nan 0.000 0.444 277 T N -1.788 112.854 114.554 0.147 0.000 3.055 277 T HA -0.034 4.316 4.350 -0.000 0.000 0.265 277 T C 1.736 176.609 174.700 0.289 0.000 1.111 277 T CA 1.012 63.221 62.100 0.181 0.000 1.118 277 T CB -0.103 68.868 68.868 0.171 0.000 0.909 277 T HN 0.236 nan 8.240 nan 0.000 0.501 278 L N 2.837 124.209 121.223 0.249 0.000 2.049 278 L HA 0.057 4.396 4.340 -0.000 0.000 0.203 278 L C 2.771 179.835 176.870 0.323 0.000 1.074 278 L CA 2.462 57.475 54.840 0.288 0.000 0.749 278 L CB -1.362 40.761 42.059 0.106 0.000 0.907 278 L HN 0.474 nan 8.230 nan 0.000 0.439 279 T N -3.345 111.374 114.554 0.276 0.000 2.821 279 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 279 T C 1.969 176.837 174.700 0.280 0.000 1.046 279 T CA 0.916 63.233 62.100 0.362 0.000 1.139 279 T CB -1.422 67.735 68.868 0.480 0.000 0.871 279 T HN 0.384 nan 8.240 nan 0.000 0.454 280 G N 1.319 110.254 108.800 0.224 0.000 2.421 280 G HA2 0.070 4.030 3.960 -0.000 0.000 0.216 280 G HA3 0.070 4.030 3.960 -0.000 0.000 0.216 280 G C 1.748 176.674 174.900 0.043 0.000 1.171 280 G CA 0.648 45.828 45.100 0.133 0.000 0.775 280 G HN 0.656 nan 8.290 nan 0.000 0.543 281 G N 0.970 109.790 108.800 0.033 0.000 2.422 281 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 281 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 281 G C 1.776 176.570 174.900 -0.177 0.000 1.146 281 G CA 0.826 45.732 45.100 -0.323 0.000 0.769 281 G HN 0.453 nan 8.290 nan 0.000 0.547 282 I N 1.209 121.835 120.570 0.094 0.000 2.226 282 I HA -0.076 4.094 4.170 -0.000 0.000 0.245 282 I C 3.083 179.029 176.117 -0.284 0.000 1.100 282 I CA 0.953 62.173 61.300 -0.133 0.000 1.374 282 I CB -0.478 37.206 38.000 -0.527 0.000 1.057 282 I HN 0.240 nan 8.210 nan 0.000 0.413 283 G N 1.469 110.155 108.800 -0.190 0.000 2.418 283 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.217 283 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.217 283 G C 1.583 176.501 174.900 0.031 0.000 1.158 283 G CA 0.528 45.605 45.100 -0.039 0.000 0.771 283 G HN 0.171 nan 8.290 nan 0.000 0.545 284 I N 0.411 120.968 120.570 -0.021 0.000 2.233 284 I HA -0.026 4.144 4.170 -0.000 0.000 0.243 284 I C 2.634 178.782 176.117 0.050 0.000 1.093 284 I CA 0.559 61.857 61.300 -0.003 0.000 1.380 284 I CB -1.164 36.753 38.000 -0.139 0.000 1.067 284 I HN 0.133 nan 8.210 nan 0.000 0.413 285 L N 0.937 122.130 121.223 -0.051 0.000 2.042 285 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 285 L C 2.299 179.189 176.870 0.033 0.000 1.076 285 L CA 1.803 56.620 54.840 -0.039 0.000 0.749 285 L CB -0.618 41.387 42.059 -0.090 0.000 0.893 285 L HN 0.136 nan 8.230 nan 0.000 0.432 286 L N -1.089 120.175 121.223 0.070 0.000 2.376 286 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 286 L C 0.851 177.787 176.870 0.111 0.000 1.133 286 L CA -0.009 54.891 54.840 0.101 0.000 0.816 286 L CB -0.454 41.718 42.059 0.189 0.000 0.933 286 L HN 0.086 nan 8.230 nan 0.000 0.449 287 S N 0.133 115.955 115.700 0.203 0.000 2.455 287 S HA 0.395 4.865 4.470 -0.000 0.000 0.278 287 S C 1.105 175.717 174.600 0.020 0.000 1.216 287 S CA 0.360 58.626 58.200 0.110 0.000 1.055 287 S CB 1.050 64.297 63.200 0.079 0.000 0.939 287 S HN 0.549 nan 8.310 nan 0.000 0.494 288 G N 3.137 111.971 108.800 0.056 0.000 2.336 288 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.233 288 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.233 288 G C 1.137 176.029 174.900 -0.013 0.000 1.053 288 G CA 0.911 46.055 45.100 0.073 0.000 0.625 288 G HN 0.836 nan 8.290 nan 0.000 0.511 289 T N -2.133 112.411 114.554 -0.017 0.000 2.901 289 T HA 0.371 4.721 4.350 -0.000 0.000 0.252 289 T C 2.094 176.761 174.700 -0.055 0.000 1.035 289 T CA 2.195 64.276 62.100 -0.032 0.000 1.142 289 T CB 0.135 68.993 68.868 -0.015 0.000 0.869 289 T HN 0.690 nan 8.240 nan 0.000 0.442 290 V N 0.142 120.006 119.914 -0.084 0.000 3.484 290 V HA 0.396 4.515 4.120 -0.000 0.000 0.252 290 V C 0.213 176.182 176.094 -0.207 0.000 1.282 290 V CA -0.086 62.147 62.300 -0.112 0.000 1.104 290 V CB 1.212 32.980 31.823 -0.090 0.000 0.868 290 V HN 0.340 nan 8.190 nan 0.000 0.457 291 V N 0.886 120.595 119.914 -0.341 0.000 2.443 291 V HA 0.416 4.536 4.120 -0.000 0.000 0.293 291 V C 0.178 176.017 176.094 -0.426 0.000 1.021 291 V CA -0.429 61.532 62.300 -0.564 0.000 0.848 291 V CB 1.752 32.735 31.823 -1.401 0.000 0.998 291 V HN 0.245 nan 8.190 nan 0.000 0.424 292 D N 2.282 122.517 120.400 -0.275 0.000 2.240 292 D HA 0.031 4.671 4.640 -0.000 0.000 0.206 292 D C 0.562 176.749 176.300 -0.189 0.000 0.963 292 D CA 0.949 54.835 54.000 -0.190 0.000 0.863 292 D CB 0.493 41.203 40.800 -0.150 0.000 0.973 292 D HN 0.486 nan 8.370 nan 0.000 0.501 293 N N -0.407 118.180 118.700 -0.189 0.000 2.549 293 N HA 0.016 4.756 4.740 -0.000 0.000 0.281 293 N C -0.035 175.476 175.510 0.002 0.000 1.084 293 N CA -0.427 52.594 53.050 -0.049 0.000 0.862 293 N CB 0.622 39.120 38.487 0.019 0.000 1.333 293 N HN -0.100 nan 8.380 nan 0.000 0.523 294 W N 1.984 123.412 121.300 0.215 0.000 2.374 294 W HA -0.147 4.513 4.660 -0.000 0.000 0.288 294 W C 1.785 178.501 176.519 0.327 0.000 1.218 294 W CA 0.580 58.102 57.345 0.296 0.000 1.245 294 W CB -0.265 29.369 29.460 0.290 0.000 1.126 294 W HN 0.674 nan 8.180 nan 0.000 0.545 295 Y N 0.637 121.068 120.300 0.219 0.000 2.114 295 Y HA -0.283 4.267 4.550 -0.000 0.000 0.284 295 Y C 2.246 178.112 175.900 -0.056 0.000 1.143 295 Y CA 2.079 60.034 58.100 -0.242 0.000 1.135 295 Y CB -0.915 37.304 38.460 -0.401 0.000 0.980 295 Y HN -0.221 nan 8.280 nan 0.000 0.499 296 V N -0.504 119.400 119.914 -0.017 0.000 2.332 296 V HA -0.312 3.807 4.120 -0.000 0.000 0.248 296 V C 2.106 178.189 176.094 -0.017 0.000 1.055 296 V CA 2.046 64.291 62.300 -0.092 0.000 1.038 296 V CB -1.116 30.724 31.823 0.028 0.000 0.651 296 V HN 0.723 nan 8.190 nan 0.000 0.450 297 W N 1.395 122.670 121.300 -0.043 0.000 2.355 297 W HA -0.094 4.566 4.660 -0.000 0.000 0.309 297 W C 2.361 178.976 176.519 0.159 0.000 1.206 297 W CA 1.911 59.299 57.345 0.071 0.000 1.284 297 W CB -0.759 28.678 29.460 -0.038 0.000 1.145 297 W HN 0.239 nan 8.180 nan 0.000 0.502 298 G N -0.216 108.755 108.800 0.284 0.000 2.462 298 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 298 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 298 G C 1.402 176.192 174.900 -0.183 0.000 1.121 298 G CA 0.946 46.092 45.100 0.077 0.000 0.758 298 G HN 0.271 nan 8.290 nan 0.000 0.559 299 Q N 0.336 119.962 119.800 -0.289 0.000 2.224 299 Q HA -0.038 4.302 4.340 -0.000 0.000 0.203 299 Q C 2.044 177.878 176.000 -0.277 0.000 0.970 299 Q CA 1.163 56.779 55.803 -0.313 0.000 0.865 299 Q CB -0.141 28.361 28.738 -0.392 0.000 0.922 299 Q HN 0.542 nan 8.270 nan 0.000 0.445 300 N N -0.704 117.793 118.700 -0.338 0.000 2.433 300 N HA -0.004 4.736 4.740 -0.000 0.000 0.213 300 N C 0.330 175.500 175.510 -0.567 0.000 1.032 300 N CA 0.540 53.310 53.050 -0.466 0.000 1.047 300 N CB -0.412 37.699 38.487 -0.626 0.000 1.293 300 N HN 0.237 nan 8.380 nan 0.000 0.524 301 H N 0.000 118.686 119.070 -0.640 0.000 2.539 301 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 301 H CA 0.000 55.641 56.048 -0.678 0.000 1.023 301 H CB 0.000 29.160 29.762 -1.004 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496