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 2wx5_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 0.000 177.617 177.584 0.055 0.000 1.274 1 A CA 0.000 52.060 52.037 0.038 0.000 0.836 1 A CB 0.000 19.025 19.000 0.042 0.000 0.831 2 E N 1.693 121.924 120.200 0.050 0.000 2.391 2 E HA 0.464 4.815 4.350 0.002 0.000 0.255 2 E C -0.396 176.271 176.600 0.112 0.000 1.187 2 E CA -0.424 56.019 56.400 0.072 0.000 0.941 2 E CB 0.665 30.391 29.700 0.043 0.000 1.010 2 E HN 0.829 nan 8.360 nan 0.000 0.458 3 Y N 0.335 120.629 120.300 -0.011 0.000 2.361 3 Y HA 0.163 4.714 4.550 0.002 0.000 0.332 3 Y C 0.389 176.276 175.900 -0.021 0.000 1.101 3 Y CA -0.544 57.552 58.100 -0.006 0.000 1.137 3 Y CB 1.677 40.136 38.460 -0.002 0.000 1.207 3 Y HN 0.469 nan 8.280 nan 0.000 0.463 4 Q N 2.653 121.937 119.800 -0.860 0.000 2.316 4 Q HA 0.058 4.399 4.340 0.002 0.000 0.235 4 Q C 0.185 175.759 176.000 -0.710 0.000 0.863 4 Q CA 0.487 55.938 55.803 -0.588 0.000 0.939 4 Q CB 0.149 28.699 28.738 -0.313 0.000 1.108 4 Q HN 0.914 nan 8.270 nan 0.000 0.522 5 N N 0.185 118.150 118.700 -1.224 0.000 2.741 5 N HA -0.153 4.588 4.740 0.002 0.000 0.250 5 N C 0.430 175.734 175.510 -0.344 0.000 1.115 5 N CA 0.421 53.096 53.050 -0.624 0.000 0.724 5 N CB -0.831 37.443 38.487 -0.354 0.000 1.090 5 N HN 0.164 nan 8.380 nan 0.000 0.558 6 I N -1.634 118.720 120.570 -0.360 0.000 2.333 6 I HA 0.025 4.196 4.170 0.002 0.000 0.246 6 I C 0.676 176.501 176.117 -0.487 0.000 1.106 6 I CA 1.248 62.276 61.300 -0.453 0.000 1.411 6 I CB -0.751 36.907 38.000 -0.570 0.000 1.082 6 I HN 0.036 nan 8.210 nan 0.000 0.420 7 F N 0.438 120.474 119.950 0.144 0.000 2.551 7 F HA 0.411 4.939 4.527 0.002 0.000 0.316 7 F C 0.808 176.810 175.800 0.338 0.000 1.089 7 F CA -1.025 57.140 58.000 0.276 0.000 0.915 7 F CB 1.174 40.336 39.000 0.269 0.000 1.186 7 F HN -0.315 nan 8.300 nan 0.000 0.456 8 S N 1.631 117.666 115.700 0.558 0.000 2.560 8 S HA 0.036 4.507 4.470 0.002 0.000 0.284 8 S C 0.880 175.768 174.600 0.481 0.000 1.327 8 S CA -0.447 58.007 58.200 0.423 0.000 1.055 8 S CB 0.793 64.145 63.200 0.254 0.000 0.868 8 S HN 0.695 nan 8.310 nan 0.000 0.506 9 Q N 0.695 120.658 119.800 0.272 0.000 2.398 9 Q HA 0.143 4.484 4.340 0.002 0.000 0.204 9 Q C -0.406 175.729 176.000 0.225 0.000 0.932 9 Q CA 0.482 56.413 55.803 0.213 0.000 0.916 9 Q CB 0.199 28.912 28.738 -0.042 0.000 1.024 9 Q HN 0.429 nan 8.270 nan 0.000 0.504 10 V N 1.530 121.516 119.914 0.119 0.000 2.655 10 V HA 0.172 4.293 4.120 0.002 0.000 0.301 10 V C -0.866 175.187 176.094 -0.068 0.000 1.082 10 V CA -0.966 61.349 62.300 0.026 0.000 0.899 10 V CB 1.815 33.638 31.823 0.001 0.000 1.014 10 V HN 0.107 nan 8.190 nan 0.000 0.429 11 Q N 2.673 122.355 119.800 -0.196 0.000 2.221 11 Q HA 0.819 5.160 4.340 0.002 0.000 0.242 11 Q C -0.561 175.359 176.000 -0.134 0.000 0.940 11 Q CA -0.835 54.841 55.803 -0.212 0.000 0.896 11 Q CB 2.674 31.189 28.738 -0.370 0.000 1.226 11 Q HN 0.768 nan 8.270 nan 0.000 0.463 12 V N -1.551 118.303 119.914 -0.101 0.000 2.709 12 V HA 0.712 4.833 4.120 0.002 0.000 0.308 12 V C -0.952 175.097 176.094 -0.075 0.000 1.062 12 V CA -1.015 61.238 62.300 -0.079 0.000 0.901 12 V CB 1.975 33.766 31.823 -0.054 0.000 1.003 12 V HN 0.800 nan 8.190 nan 0.000 0.425 13 R N 2.049 122.490 120.500 -0.100 0.000 2.740 13 R HA 0.854 5.195 4.340 0.002 0.000 0.282 13 R C 0.012 176.238 176.300 -0.124 0.000 0.969 13 R CA 0.131 56.156 56.100 -0.125 0.000 0.918 13 R CB 2.288 32.439 30.300 -0.249 0.000 1.175 13 R HN 1.188 nan 8.270 nan 0.000 0.464 14 G N 2.197 110.939 108.800 -0.098 0.000 3.222 14 G HA2 0.515 4.476 3.960 0.002 0.000 0.263 14 G HA3 0.515 4.476 3.960 0.002 0.000 0.263 14 G C -2.612 172.241 174.900 -0.079 0.000 1.312 14 G CA -0.958 44.093 45.100 -0.081 0.000 0.934 14 G HN 0.446 nan 8.290 nan 0.000 0.577 15 P HA 0.418 nan 4.420 nan 0.000 0.268 15 P C 0.022 177.374 177.300 0.086 0.000 1.205 15 P CA -0.049 63.050 63.100 -0.001 0.000 0.771 15 P CB 0.774 32.476 31.700 0.004 0.000 0.858 16 A N 2.538 125.458 122.820 0.167 0.000 2.566 16 A HA 0.010 4.331 4.320 0.002 0.000 0.245 16 A C 0.502 178.159 177.584 0.122 0.000 1.056 16 A CA 0.211 52.408 52.037 0.268 0.000 0.757 16 A CB -0.421 18.751 19.000 0.285 0.000 0.979 16 A HN 0.537 nan 8.150 nan 0.000 0.508 17 D N 1.978 122.435 120.400 0.095 0.000 2.308 17 D HA 0.328 4.969 4.640 0.002 0.000 0.251 17 D C 0.483 176.793 176.300 0.017 0.000 1.127 17 D CA -0.033 53.991 54.000 0.040 0.000 0.876 17 D CB 1.008 41.824 40.800 0.026 0.000 1.176 17 D HN 0.442 nan 8.370 nan 0.000 0.446 18 L N 2.617 123.846 121.223 0.011 0.000 2.664 18 L HA 0.299 4.640 4.340 0.002 0.000 0.233 18 L C 1.309 178.177 176.870 -0.003 0.000 1.113 18 L CA 0.312 55.155 54.840 0.005 0.000 0.896 18 L CB 0.085 42.150 42.059 0.010 0.000 1.163 18 L HN 0.707 nan 8.230 nan 0.000 0.497 19 G N -0.010 108.784 108.800 -0.009 0.000 2.685 19 G HA2 -0.142 3.819 3.960 0.002 0.000 0.387 19 G HA3 -0.142 3.819 3.960 0.002 0.000 0.387 19 G C -0.515 174.373 174.900 -0.021 0.000 1.324 19 G CA -0.774 44.315 45.100 -0.019 0.000 0.878 19 G HN -0.154 nan 8.290 nan 0.000 0.527 20 M N -0.549 119.032 119.600 -0.032 0.000 2.471 20 M HA 0.549 5.030 4.480 0.002 0.000 0.309 20 M C 1.258 177.536 176.300 -0.036 0.000 1.186 20 M CA -0.070 55.209 55.300 -0.034 0.000 1.008 20 M CB 0.943 33.517 32.600 -0.043 0.000 1.551 20 M HN 0.656 nan 8.290 nan 0.000 0.477 21 T N -1.240 113.294 114.554 -0.034 0.000 3.085 21 T HA 0.062 4.413 4.350 0.002 0.000 0.241 21 T C 0.596 175.272 174.700 -0.040 0.000 0.988 21 T CA -0.062 62.021 62.100 -0.028 0.000 1.117 21 T CB 0.382 69.240 68.868 -0.018 0.000 0.978 21 T HN 0.582 nan 8.240 nan 0.000 0.454 22 E N 1.649 121.824 120.200 -0.042 0.000 3.599 22 E HA -0.234 4.117 4.350 0.002 0.000 0.411 22 E C -0.061 176.514 176.600 -0.042 0.000 1.613 22 E CA 1.548 57.921 56.400 -0.046 0.000 1.723 22 E CB -0.974 28.689 29.700 -0.062 0.000 1.589 22 E HN 0.350 nan 8.360 nan 0.000 0.417 23 D N 0.891 121.259 120.400 -0.053 0.000 2.460 23 D HA 0.190 4.831 4.640 0.002 0.000 0.229 23 D C -0.251 176.019 176.300 -0.051 0.000 1.170 23 D CA 0.049 54.022 54.000 -0.045 0.000 0.827 23 D CB 0.145 40.917 40.800 -0.046 0.000 0.973 23 D HN -0.061 nan 8.370 nan 0.000 0.496 24 V N 1.563 121.443 119.914 -0.056 0.000 2.775 24 V HA 0.022 4.143 4.120 0.002 0.000 0.299 24 V C 0.791 176.899 176.094 0.024 0.000 1.062 24 V CA -0.717 61.550 62.300 -0.056 0.000 1.063 24 V CB 1.289 33.068 31.823 -0.074 0.000 0.994 24 V HN 0.098 nan 8.190 nan 0.000 0.483 25 N N 3.352 122.113 118.700 0.101 0.000 2.482 25 N HA 0.191 4.932 4.740 0.002 0.000 0.242 25 N C 0.563 176.171 175.510 0.163 0.000 1.100 25 N CA -0.095 53.032 53.050 0.127 0.000 0.946 25 N CB 0.372 38.936 38.487 0.128 0.000 1.227 25 N HN 0.569 nan 8.380 nan 0.000 0.508 26 L N 2.416 123.690 121.223 0.085 0.000 2.450 26 L HA -0.035 4.306 4.340 0.002 0.000 0.224 26 L C 2.179 179.060 176.870 0.019 0.000 1.149 26 L CA 0.961 55.837 54.840 0.061 0.000 0.816 26 L CB -0.432 41.646 42.059 0.031 0.000 0.932 26 L HN 0.571 nan 8.230 nan 0.000 0.449 27 A N 0.113 122.934 122.820 0.001 0.000 2.067 27 A HA -0.138 4.183 4.320 0.002 0.000 0.219 27 A C 1.998 179.524 177.584 -0.096 0.000 1.158 27 A CA 1.435 53.450 52.037 -0.037 0.000 0.661 27 A CB -0.346 18.635 19.000 -0.033 0.000 0.801 27 A HN 0.422 nan 8.150 nan 0.000 0.452 28 N N -0.263 118.343 118.700 -0.156 0.000 2.412 28 N HA 0.036 4.777 4.740 0.002 0.000 0.184 28 N C 0.257 175.538 175.510 -0.381 0.000 1.101 28 N CA 0.181 52.977 53.050 -0.425 0.000 0.881 28 N CB 0.023 37.931 38.487 -0.965 0.000 0.969 28 N HN 0.462 nan 8.380 nan 0.000 0.459 29 R N 1.013 121.446 120.500 -0.111 0.000 2.490 29 R HA 0.138 4.479 4.340 0.002 0.000 0.280 29 R C 1.117 177.385 176.300 -0.053 0.000 1.077 29 R CA -0.125 55.958 56.100 -0.028 0.000 1.065 29 R CB 0.845 31.175 30.300 0.050 0.000 1.003 29 R HN 0.131 nan 8.270 nan 0.000 0.470 30 S N 1.231 116.905 115.700 -0.042 0.000 2.629 30 S HA 0.226 4.697 4.470 0.002 0.000 0.250 30 S C 0.594 175.184 174.600 -0.018 0.000 1.318 30 S CA -0.232 57.949 58.200 -0.032 0.000 0.970 30 S CB 0.547 63.732 63.200 -0.024 0.000 0.996 30 S HN 0.654 nan 8.310 nan 0.000 0.563 31 G N -0.916 107.877 108.800 -0.013 0.000 2.568 31 G HA2 0.576 4.537 3.960 0.002 0.000 0.313 31 G HA3 0.576 4.537 3.960 0.002 0.000 0.313 31 G C -0.008 174.887 174.900 -0.009 0.000 1.227 31 G CA -0.527 44.570 45.100 -0.004 0.000 0.979 31 G HN 1.585 nan 8.290 nan 0.000 0.486 32 V N -0.401 119.510 119.914 -0.005 0.000 3.209 32 V HA 0.532 4.654 4.120 0.002 0.000 0.305 32 V C 0.969 177.044 176.094 -0.032 0.000 1.127 32 V CA 0.624 62.905 62.300 -0.032 0.000 1.235 32 V CB 0.262 32.076 31.823 -0.014 0.000 0.987 32 V HN 1.088 nan 8.190 nan 0.000 0.499 33 G N 2.926 111.681 108.800 -0.076 0.000 2.606 33 G HA2 0.684 4.645 3.960 0.002 0.000 0.262 33 G HA3 0.684 4.645 3.960 0.002 0.000 0.262 33 G C -2.517 172.352 174.900 -0.053 0.000 1.394 33 G CA -0.936 44.132 45.100 -0.054 0.000 1.044 33 G HN 0.802 nan 8.290 nan 0.000 0.553 34 P HA 0.337 nan 4.420 nan 0.000 0.288 34 P C -1.175 176.105 177.300 -0.033 0.000 1.291 34 P CA -0.223 62.911 63.100 0.057 0.000 0.766 34 P CB 0.399 32.132 31.700 0.055 0.000 1.242 35 F N -1.271 118.675 119.950 -0.007 0.000 2.536 35 F HA 0.333 4.861 4.527 0.002 0.000 0.322 35 F C 0.254 176.045 175.800 -0.015 0.000 1.144 35 F CA -0.372 57.619 58.000 -0.015 0.000 0.924 35 F CB 1.697 40.682 39.000 -0.025 0.000 1.181 35 F HN -0.001 nan 8.300 nan 0.000 0.438 36 S N 2.633 118.394 115.700 0.103 0.000 2.567 36 S HA 0.159 4.630 4.470 0.002 0.000 0.262 36 S C 1.067 175.699 174.600 0.053 0.000 1.237 36 S CA -0.419 57.824 58.200 0.073 0.000 1.093 36 S CB 0.232 63.459 63.200 0.045 0.000 1.095 36 S HN 0.766 nan 8.310 nan 0.000 0.489 37 T N 4.683 119.260 114.554 0.038 0.000 2.755 37 T HA -0.217 4.134 4.350 0.002 0.000 0.266 37 T C 1.582 176.274 174.700 -0.014 0.000 1.041 37 T CA 2.052 64.118 62.100 -0.055 0.000 1.147 37 T CB -0.397 68.473 68.868 0.003 0.000 0.847 37 T HN 0.596 nan 8.240 nan 0.000 0.478 38 L N 0.483 121.788 121.223 0.136 0.000 1.973 38 L HA 0.019 4.360 4.340 0.002 0.000 0.208 38 L C 2.333 179.356 176.870 0.254 0.000 1.073 38 L CA 1.516 56.517 54.840 0.267 0.000 0.746 38 L CB -0.511 41.652 42.059 0.172 0.000 0.891 38 L HN 0.223 nan 8.230 nan 0.000 0.433 39 L N -0.368 120.946 121.223 0.151 0.000 2.051 39 L HA -0.249 4.092 4.340 0.002 0.000 0.214 39 L C 2.449 179.426 176.870 0.178 0.000 1.076 39 L CA 1.526 56.462 54.840 0.161 0.000 0.758 39 L CB -1.584 40.532 42.059 0.095 0.000 0.890 39 L HN 0.560 nan 8.230 nan 0.000 0.433 40 G N -1.242 107.584 108.800 0.044 0.000 2.527 40 G HA2 -0.249 3.712 3.960 0.002 0.000 0.219 40 G HA3 -0.249 3.712 3.960 0.002 0.000 0.219 40 G C 1.005 175.852 174.900 -0.088 0.000 1.117 40 G CA 0.128 45.188 45.100 -0.066 0.000 0.759 40 G HN 0.462 nan 8.290 nan 0.000 0.556 41 W N -1.574 119.841 121.300 0.191 0.000 2.678 41 W HA 0.332 4.993 4.660 0.002 0.000 0.256 41 W C 1.754 178.536 176.519 0.438 0.000 1.280 41 W CA -0.385 57.113 57.345 0.255 0.000 1.345 41 W CB -0.041 29.525 29.460 0.177 0.000 1.118 41 W HN 0.182 nan 8.180 nan 0.000 0.629 42 F N -1.276 118.900 119.950 0.376 0.000 2.531 42 F HA 0.454 4.982 4.527 0.002 0.000 0.273 42 F C 1.516 177.394 175.800 0.131 0.000 0.960 42 F CA 0.991 59.165 58.000 0.289 0.000 1.207 42 F CB -0.343 38.833 39.000 0.294 0.000 1.012 42 F HN -0.268 nan 8.300 nan 0.000 0.738 43 G N -0.253 108.694 108.800 0.245 0.000 3.212 43 G HA2 0.228 4.189 3.960 0.002 0.000 0.188 43 G HA3 0.228 4.189 3.960 0.002 0.000 0.188 43 G C -1.196 173.739 174.900 0.059 0.000 1.254 43 G CA -0.731 44.420 45.100 0.085 0.000 0.957 43 G HN -0.031 nan 8.290 nan 0.000 0.596 44 N N 0.293 119.013 118.700 0.033 0.000 2.518 44 N HA 0.372 5.113 4.740 0.002 0.000 0.266 44 N C 1.068 176.584 175.510 0.010 0.000 1.196 44 N CA 0.360 53.418 53.050 0.013 0.000 0.947 44 N CB 1.671 40.152 38.487 -0.009 0.000 1.098 44 N HN 0.510 nan 8.380 nan 0.000 0.450 45 A N 2.128 124.958 122.820 0.017 0.000 2.123 45 A HA -0.073 4.248 4.320 0.002 0.000 0.214 45 A C 0.920 178.432 177.584 -0.119 0.000 1.152 45 A CA 0.481 52.539 52.037 0.035 0.000 0.728 45 A CB -0.216 18.867 19.000 0.139 0.000 0.814 45 A HN 0.745 nan 8.150 nan 0.000 0.464 46 Q N 0.934 120.583 119.800 -0.251 0.000 2.295 46 Q HA 0.467 4.808 4.340 0.002 0.000 0.259 46 Q C -1.001 174.780 176.000 -0.365 0.000 0.976 46 Q CA -0.277 55.162 55.803 -0.606 0.000 0.923 46 Q CB 0.368 28.817 28.738 -0.481 0.000 1.185 46 Q HN 0.503 nan 8.270 nan 0.000 0.410 47 L N 3.766 124.754 121.223 -0.390 0.000 2.357 47 L HA 0.603 4.944 4.340 0.002 0.000 0.273 47 L C 0.980 177.733 176.870 -0.195 0.000 1.080 47 L CA -0.239 54.474 54.840 -0.211 0.000 0.803 47 L CB 0.717 42.688 42.059 -0.146 0.000 1.174 47 L HN 1.023 nan 8.230 nan 0.000 0.443 48 G N 2.775 111.507 108.800 -0.114 0.000 2.774 48 G HA2 -0.209 3.752 3.960 0.002 0.000 0.279 48 G HA3 -0.209 3.752 3.960 0.002 0.000 0.279 48 G C -2.660 172.188 174.900 -0.088 0.000 1.372 48 G CA -0.817 44.234 45.100 -0.081 0.000 0.913 48 G HN 0.506 nan 8.290 nan 0.000 0.562 49 P HA 0.567 nan 4.420 nan 0.000 0.274 49 P C -0.016 177.279 177.300 -0.008 0.000 1.256 49 P CA -0.481 62.604 63.100 -0.025 0.000 0.795 49 P CB 0.840 32.536 31.700 -0.008 0.000 1.038 50 I N -0.384 120.190 120.570 0.007 0.000 2.846 50 I HA 0.419 4.590 4.170 0.002 0.000 0.307 50 I C -1.144 175.011 176.117 0.063 0.000 1.053 50 I CA -1.422 59.898 61.300 0.033 0.000 1.050 50 I CB 1.746 39.763 38.000 0.029 0.000 1.239 50 I HN 0.196 nan 8.210 nan 0.000 0.439 51 Y N 6.600 126.864 120.300 -0.061 0.000 2.326 51 Y HA 0.357 4.907 4.550 0.002 0.000 0.337 51 Y C 0.244 176.107 175.900 -0.062 0.000 1.023 51 Y CA -0.475 57.585 58.100 -0.067 0.000 1.143 51 Y CB 1.196 39.599 38.460 -0.095 0.000 1.183 51 Y HN 0.588 nan 8.280 nan 0.000 0.485 52 L N 4.251 125.264 121.223 -0.349 0.000 1.972 52 L HA 0.696 5.037 4.340 0.002 0.000 0.209 52 L C 1.036 177.740 176.870 -0.278 0.000 1.125 52 L CA 0.515 55.217 54.840 -0.231 0.000 0.784 52 L CB -1.170 40.774 42.059 -0.191 0.000 0.902 52 L HN 0.799 nan 8.230 nan 0.000 0.444 53 G N -0.941 107.598 108.800 -0.434 0.000 2.781 53 G HA2 -0.207 3.754 3.960 0.002 0.000 0.683 53 G HA3 -0.207 3.754 3.960 0.002 0.000 0.683 53 G C 0.274 175.135 174.900 -0.065 0.000 1.390 53 G CA -0.081 44.894 45.100 -0.209 0.000 0.850 53 G HN 0.645 nan 8.290 nan 0.000 0.557 54 S N -0.173 115.518 115.700 -0.015 0.000 2.357 54 S HA 0.004 4.475 4.470 0.002 0.000 0.221 54 S C 2.535 177.154 174.600 0.032 0.000 1.031 54 S CA 1.322 59.523 58.200 0.002 0.000 0.982 54 S CB -0.238 62.966 63.200 0.007 0.000 0.853 54 S HN 0.586 nan 8.310 nan 0.000 0.458 55 L N 1.323 122.572 121.223 0.044 0.000 2.013 55 L HA -0.155 4.186 4.340 0.002 0.000 0.212 55 L C 2.701 179.615 176.870 0.074 0.000 1.073 55 L CA 1.690 56.566 54.840 0.059 0.000 0.753 55 L CB -1.218 40.862 42.059 0.034 0.000 0.890 55 L HN 0.503 nan 8.230 nan 0.000 0.432 56 G N -1.343 107.486 108.800 0.048 0.000 2.422 56 G HA2 -0.170 3.791 3.960 0.002 0.000 0.218 56 G HA3 -0.170 3.791 3.960 0.002 0.000 0.218 56 G C 1.541 176.516 174.900 0.125 0.000 1.140 56 G CA 0.786 45.925 45.100 0.065 0.000 0.775 56 G HN 0.262 nan 8.290 nan 0.000 0.545 57 V N 0.464 120.428 119.914 0.084 0.000 2.488 57 V HA -0.026 4.095 4.120 0.002 0.000 0.246 57 V C 2.565 178.748 176.094 0.147 0.000 1.046 57 V CA 1.192 63.550 62.300 0.097 0.000 1.053 57 V CB -0.194 31.652 31.823 0.038 0.000 0.679 57 V HN 0.352 nan 8.190 nan 0.000 0.458 58 L N 0.288 121.589 121.223 0.130 0.000 1.963 58 L HA -0.230 4.111 4.340 0.002 0.000 0.220 58 L C 2.565 179.586 176.870 0.252 0.000 1.076 58 L CA 2.621 57.571 54.840 0.183 0.000 0.772 58 L CB -1.024 41.125 42.059 0.150 0.000 0.892 58 L HN 0.270 nan 8.230 nan 0.000 0.435 59 S N -0.853 114.984 115.700 0.228 0.000 2.359 59 S HA -0.249 4.222 4.470 0.002 0.000 0.223 59 S C 1.975 176.701 174.600 0.209 0.000 1.039 59 S CA 1.909 60.261 58.200 0.253 0.000 1.042 59 S CB -0.668 62.760 63.200 0.380 0.000 0.915 59 S HN 0.546 nan 8.310 nan 0.000 0.439 60 L N 0.122 121.478 121.223 0.222 0.000 2.083 60 L HA -0.066 4.275 4.340 0.002 0.000 0.209 60 L C 2.092 179.037 176.870 0.125 0.000 1.083 60 L CA 1.631 56.557 54.840 0.144 0.000 0.752 60 L CB -0.390 41.765 42.059 0.159 0.000 0.899 60 L HN 0.410 nan 8.230 nan 0.000 0.433 61 F N 0.256 120.231 119.950 0.042 0.000 2.134 61 F HA -0.220 4.308 4.527 0.002 0.000 0.299 61 F C 2.383 178.162 175.800 -0.036 0.000 1.097 61 F CA 1.927 59.937 58.000 0.016 0.000 1.264 61 F CB -0.413 38.603 39.000 0.026 0.000 1.001 61 F HN 0.126 nan 8.300 nan 0.000 0.479 62 S N 0.291 115.971 115.700 -0.032 0.000 2.355 62 S HA -0.077 4.394 4.470 0.002 0.000 0.222 62 S C 2.309 176.819 174.600 -0.149 0.000 1.031 62 S CA 1.027 59.135 58.200 -0.154 0.000 0.993 62 S CB -1.412 61.883 63.200 0.159 0.000 0.859 62 S HN 0.567 nan 8.310 nan 0.000 0.453 63 G N 1.065 109.831 108.800 -0.058 0.000 2.498 63 G HA2 -0.046 3.915 3.960 0.002 0.000 0.219 63 G HA3 -0.046 3.915 3.960 0.002 0.000 0.219 63 G C 1.245 176.134 174.900 -0.018 0.000 1.119 63 G CA 0.505 45.604 45.100 -0.001 0.000 0.766 63 G HN 0.421 nan 8.290 nan 0.000 0.552 64 L N -0.503 120.599 121.223 -0.201 0.000 2.253 64 L HA 0.180 4.521 4.340 0.002 0.000 0.205 64 L C 2.821 179.482 176.870 -0.347 0.000 1.078 64 L CA 0.130 54.754 54.840 -0.360 0.000 0.805 64 L CB -0.210 41.714 42.059 -0.225 0.000 0.963 64 L HN 0.016 nan 8.230 nan 0.000 0.459 65 M N -0.882 118.440 119.600 -0.463 0.000 2.108 65 M HA -0.262 4.219 4.480 0.002 0.000 0.261 65 M C 2.142 178.336 176.300 -0.177 0.000 1.066 65 M CA 1.720 56.679 55.300 -0.568 0.000 1.107 65 M CB -1.320 30.276 32.600 -1.672 0.000 1.356 65 M HN 0.477 nan 8.290 nan 0.000 0.406 66 W N 0.181 121.347 121.300 -0.222 0.000 2.363 66 W HA -0.241 4.421 4.660 0.002 0.000 0.296 66 W C 2.124 178.542 176.519 -0.169 0.000 1.212 66 W CA 1.226 58.510 57.345 -0.103 0.000 1.260 66 W CB -0.651 28.741 29.460 -0.113 0.000 1.131 66 W HN 0.175 nan 8.180 nan 0.000 0.530 67 F N -0.784 118.822 119.950 -0.572 0.000 2.335 67 F HA 0.055 4.583 4.527 0.002 0.000 0.296 67 F C 1.808 177.236 175.800 -0.620 0.000 1.091 67 F CA 1.414 58.884 58.000 -0.883 0.000 1.399 67 F CB -0.612 37.931 39.000 -0.761 0.000 1.067 67 F HN -0.172 nan 8.300 nan 0.000 0.520 68 F N -0.467 119.371 119.950 -0.186 0.000 2.335 68 F HA -0.115 4.413 4.527 0.002 0.000 0.296 68 F C 2.344 178.041 175.800 -0.171 0.000 1.091 68 F CA 1.100 58.996 58.000 -0.172 0.000 1.399 68 F CB -0.821 38.135 39.000 -0.073 0.000 1.067 68 F HN -0.217 nan 8.300 nan 0.000 0.520 69 T N 1.174 115.729 114.554 0.001 0.000 2.684 69 T HA -0.203 4.148 4.350 0.002 0.000 0.267 69 T C 1.944 176.580 174.700 -0.106 0.000 1.036 69 T CA 1.611 63.715 62.100 0.006 0.000 1.148 69 T CB -0.490 68.406 68.868 0.048 0.000 0.863 69 T HN 0.184 nan 8.240 nan 0.000 0.436 70 I N 1.130 121.467 120.570 -0.390 0.000 2.286 70 I HA -0.065 4.106 4.170 0.002 0.000 0.248 70 I C 2.862 178.662 176.117 -0.530 0.000 1.115 70 I CA 1.200 62.186 61.300 -0.523 0.000 1.392 70 I CB -0.686 36.765 38.000 -0.916 0.000 1.065 70 I HN 0.302 nan 8.210 nan 0.000 0.418 71 G N 2.000 110.524 108.800 -0.461 0.000 2.394 71 G HA2 -0.171 3.790 3.960 0.002 0.000 0.215 71 G HA3 -0.171 3.790 3.960 0.002 0.000 0.215 71 G C 1.684 176.715 174.900 0.217 0.000 1.165 71 G CA 0.810 45.785 45.100 -0.208 0.000 0.784 71 G HN 0.523 nan 8.290 nan 0.000 0.535 72 I N -2.609 118.110 120.570 0.250 0.000 2.286 72 I HA -0.110 4.061 4.170 0.002 0.000 0.248 72 I C 2.471 178.770 176.117 0.303 0.000 1.115 72 I CA 1.249 62.751 61.300 0.336 0.000 1.392 72 I CB -0.562 37.611 38.000 0.287 0.000 1.065 72 I HN 0.367 nan 8.210 nan 0.000 0.418 73 W N 2.158 123.524 121.300 0.109 0.000 2.388 73 W HA -0.215 4.446 4.660 0.002 0.000 0.294 73 W C 2.062 178.706 176.519 0.209 0.000 1.212 73 W CA 1.071 58.498 57.345 0.136 0.000 1.271 73 W CB -0.368 29.171 29.460 0.133 0.000 1.126 73 W HN 0.114 nan 8.180 nan 0.000 0.535 74 F N -0.353 119.526 119.950 -0.118 0.000 2.171 74 F HA -0.104 4.424 4.527 0.002 0.000 0.300 74 F C 2.019 177.368 175.800 -0.752 0.000 1.090 74 F CA 1.032 58.684 58.000 -0.580 0.000 1.293 74 F CB -1.601 37.062 39.000 -0.562 0.000 1.013 74 F HN -0.106 nan 8.300 nan 0.000 0.486 75 W N -1.489 119.724 121.300 -0.145 0.000 2.381 75 W HA -0.206 4.455 4.660 0.002 0.000 0.301 75 W C 2.596 178.540 176.519 -0.957 0.000 1.205 75 W CA 1.513 58.624 57.345 -0.389 0.000 1.285 75 W CB -1.178 28.085 29.460 -0.329 0.000 1.133 75 W HN 0.040 nan 8.180 nan 0.000 0.521 76 Y N 1.458 121.193 120.300 -0.942 0.000 2.053 76 Y HA -0.392 4.159 4.550 0.002 0.000 0.277 76 Y C 2.521 177.941 175.900 -0.801 0.000 1.159 76 Y CA 2.439 59.883 58.100 -1.093 0.000 1.125 76 Y CB -0.717 37.338 38.460 -0.675 0.000 0.969 76 Y HN -0.027 nan 8.280 nan 0.000 0.492 77 Q N -0.438 119.024 119.800 -0.563 0.000 2.197 77 Q HA -0.225 4.116 4.340 0.002 0.000 0.207 77 Q C 2.245 178.085 176.000 -0.267 0.000 0.984 77 Q CA 1.383 56.935 55.803 -0.417 0.000 0.869 77 Q CB -0.385 28.147 28.738 -0.343 0.000 0.906 77 Q HN 0.635 nan 8.270 nan 0.000 0.426 78 A N 0.081 122.679 122.820 -0.370 0.000 2.238 78 A HA 0.247 4.568 4.320 0.002 0.000 0.208 78 A C 1.413 178.920 177.584 -0.128 0.000 1.177 78 A CA 0.726 52.685 52.037 -0.130 0.000 0.804 78 A CB -0.315 18.592 19.000 -0.154 0.000 0.823 78 A HN 0.450 nan 8.150 nan 0.000 0.482 79 G N -2.044 106.552 108.800 -0.340 0.000 2.273 79 G HA2 -0.287 3.674 3.960 0.002 0.000 0.280 79 G HA3 -0.287 3.674 3.960 0.002 0.000 0.280 79 G C 0.273 175.201 174.900 0.048 0.000 1.047 79 G CA 0.304 45.257 45.100 -0.244 0.000 0.869 79 G HN 1.198 nan 8.290 nan 0.000 0.502 80 W N -2.706 118.674 121.300 0.134 0.000 3.207 80 W HA -0.211 4.450 4.660 0.002 0.000 0.291 80 W C 0.592 177.277 176.519 0.277 0.000 1.105 80 W CA 0.187 57.676 57.345 0.241 0.000 0.612 80 W CB -2.062 27.420 29.460 0.037 0.000 2.140 80 W HN 0.597 nan 8.180 nan 0.000 1.420 81 N N 1.943 120.866 118.700 0.371 0.000 2.420 81 N HA 0.158 4.899 4.740 0.002 0.000 0.249 81 N C -0.467 175.247 175.510 0.341 0.000 1.033 81 N CA -1.696 51.527 53.050 0.288 0.000 0.944 81 N CB 1.240 39.827 38.487 0.167 0.000 1.113 81 N HN -0.131 nan 8.380 nan 0.000 0.502 82 P HA -0.145 nan 4.420 nan 0.000 0.216 82 P C 0.801 178.242 177.300 0.235 0.000 1.150 82 P CA 1.066 64.396 63.100 0.384 0.000 0.837 82 P CB 0.314 32.195 31.700 0.302 0.000 0.786 83 A N -0.302 122.620 122.820 0.170 0.000 1.969 83 A HA -0.057 4.264 4.320 0.002 0.000 0.218 83 A C 2.468 180.110 177.584 0.095 0.000 1.169 83 A CA 1.411 53.516 52.037 0.113 0.000 0.635 83 A CB -1.460 17.587 19.000 0.078 0.000 0.810 83 A HN 0.071 nan 8.150 nan 0.000 0.445 84 V N -1.357 118.625 119.914 0.113 0.000 2.283 84 V HA -0.186 3.935 4.120 0.002 0.000 0.243 84 V C 2.187 178.380 176.094 0.165 0.000 1.039 84 V CA 1.895 64.251 62.300 0.094 0.000 1.016 84 V CB -0.968 30.910 31.823 0.090 0.000 0.650 84 V HN 0.619 nan 8.190 nan 0.000 0.449 85 F N 0.084 120.018 119.950 -0.027 0.000 2.063 85 F HA -0.297 4.231 4.527 0.002 0.000 0.298 85 F C 2.197 177.989 175.800 -0.013 0.000 1.105 85 F CA 1.867 59.746 58.000 -0.203 0.000 1.215 85 F CB -0.262 38.229 39.000 -0.849 0.000 0.972 85 F HN -0.001 nan 8.300 nan 0.000 0.483 86 L N 0.483 121.791 121.223 0.140 0.000 1.955 86 L HA -0.263 4.078 4.340 0.002 0.000 0.213 86 L C 2.659 179.481 176.870 -0.079 0.000 1.072 86 L CA 2.310 57.171 54.840 0.035 0.000 0.755 86 L CB -1.439 40.668 42.059 0.080 0.000 0.888 86 L HN 0.242 nan 8.230 nan 0.000 0.432 87 R N -0.286 120.181 120.500 -0.055 0.000 2.139 87 R HA -0.198 4.143 4.340 0.002 0.000 0.243 87 R C 0.725 176.914 176.300 -0.185 0.000 1.145 87 R CA 1.888 57.922 56.100 -0.109 0.000 0.976 87 R CB 0.005 30.249 30.300 -0.093 0.000 0.866 87 R HN 0.345 nan 8.270 nan 0.000 0.449 88 D N -0.215 120.023 120.400 -0.270 0.000 2.440 88 D HA 0.009 4.650 4.640 0.002 0.000 0.216 88 D C 1.152 176.963 176.300 -0.816 0.000 1.150 88 D CA -0.142 53.518 54.000 -0.566 0.000 0.832 88 D CB 0.457 40.745 40.800 -0.853 0.000 0.992 88 D HN 0.093 nan 8.370 nan 0.000 0.502 89 L N 0.192 121.176 121.223 -0.398 0.000 2.043 89 L HA -0.157 4.184 4.340 0.002 0.000 0.212 89 L C 1.342 178.191 176.870 -0.036 0.000 1.075 89 L CA 1.709 56.445 54.840 -0.173 0.000 0.752 89 L CB -0.454 41.464 42.059 -0.237 0.000 0.891 89 L HN -0.008 nan 8.230 nan 0.000 0.432 90 F N -2.023 117.652 119.950 -0.458 0.000 2.780 90 F HA 0.071 4.599 4.527 0.002 0.000 0.299 90 F C 1.823 177.170 175.800 -0.756 0.000 1.146 90 F CA 0.014 57.520 58.000 -0.824 0.000 1.428 90 F CB -1.077 36.888 39.000 -1.726 0.000 1.115 90 F HN 0.060 nan 8.300 nan 0.000 0.583 91 F N -1.749 117.971 119.950 -0.385 0.000 2.505 91 F HA 0.136 4.664 4.527 0.002 0.000 0.289 91 F C 0.960 176.531 175.800 -0.383 0.000 1.101 91 F CA -0.449 57.375 58.000 -0.293 0.000 1.446 91 F CB -0.598 38.183 39.000 -0.364 0.000 1.123 91 F HN -0.347 nan 8.300 nan 0.000 0.564 92 F N 0.677 120.450 119.950 -0.295 0.000 2.586 92 F HA 0.273 4.801 4.527 0.002 0.000 0.335 92 F C 0.768 176.318 175.800 -0.416 0.000 1.210 92 F CA -0.016 57.585 58.000 -0.666 0.000 1.359 92 F CB -0.049 37.907 39.000 -1.739 0.000 1.142 92 F HN -0.279 nan 8.300 nan 0.000 0.606 93 S N 0.971 116.796 115.700 0.209 0.000 2.560 93 S HA 0.481 4.952 4.470 0.002 0.000 0.283 93 S C -2.039 172.999 174.600 0.730 0.000 1.141 93 S CA -0.781 57.731 58.200 0.520 0.000 0.902 93 S CB 0.870 64.278 63.200 0.347 0.000 1.104 93 S HN 0.588 nan 8.310 nan 0.000 0.454 94 L N 4.677 126.267 121.223 0.612 0.000 2.283 94 L HA 0.623 4.964 4.340 0.002 0.000 0.281 94 L C -0.311 176.741 176.870 0.303 0.000 1.033 94 L CA 0.077 55.080 54.840 0.272 0.000 0.848 94 L CB 0.737 42.931 42.059 0.224 0.000 1.226 94 L HN 0.627 nan 8.230 nan 0.000 0.429 95 E N 6.217 126.481 120.200 0.108 0.000 2.277 95 E HA 0.443 4.794 4.350 0.002 0.000 0.274 95 E C -2.449 174.002 176.600 -0.249 0.000 1.022 95 E CA -1.809 54.583 56.400 -0.013 0.000 0.853 95 E CB 0.855 30.579 29.700 0.039 0.000 1.086 95 E HN 0.441 nan 8.360 nan 0.000 0.397 96 P HA 0.195 nan 4.420 nan 0.000 0.276 96 P C -2.505 174.597 177.300 -0.330 0.000 1.252 96 P CA -1.529 60.982 63.100 -0.983 0.000 0.802 96 P CB -0.427 30.387 31.700 -1.477 0.000 1.035 97 P HA -0.036 nan 4.420 nan 0.000 0.264 97 P C 0.083 177.441 177.300 0.097 0.000 1.179 97 P CA 0.453 63.590 63.100 0.062 0.000 0.763 97 P CB 0.047 31.840 31.700 0.154 0.000 0.806 98 A N 5.655 128.584 122.820 0.182 0.000 2.475 98 A HA 0.160 4.481 4.320 0.002 0.000 0.239 98 A C -1.022 176.578 177.584 0.026 0.000 1.087 98 A CA -0.698 51.386 52.037 0.078 0.000 0.779 98 A CB -1.281 17.747 19.000 0.046 0.000 1.036 98 A HN 0.393 nan 8.150 nan 0.000 0.506 99 P HA -0.228 nan 4.420 nan 0.000 0.216 99 P C 1.337 178.582 177.300 -0.092 0.000 1.150 99 P CA 1.766 64.834 63.100 -0.054 0.000 0.843 99 P CB -0.024 31.637 31.700 -0.064 0.000 0.787 100 E N -0.889 119.204 120.200 -0.179 0.000 2.160 100 E HA -0.235 4.116 4.350 0.002 0.000 0.195 100 E C 1.106 177.552 176.600 -0.258 0.000 0.991 100 E CA 1.379 57.618 56.400 -0.268 0.000 0.810 100 E CB -1.247 28.216 29.700 -0.394 0.000 0.742 100 E HN 0.309 nan 8.360 nan 0.000 0.466 101 Y N 1.553 121.846 120.300 -0.011 0.000 2.578 101 Y HA 0.152 4.703 4.550 0.001 0.000 0.297 101 Y C 1.955 177.834 175.900 -0.036 0.000 1.176 101 Y CA 0.455 58.555 58.100 -0.000 0.000 1.315 101 Y CB -0.439 38.042 38.460 0.036 0.000 1.031 101 Y HN 0.296 nan 8.280 nan 0.000 0.524 102 G N 0.838 109.649 108.800 0.018 0.000 2.651 102 G HA2 -0.361 3.600 3.960 0.002 0.000 0.315 102 G HA3 -0.361 3.600 3.960 0.002 0.000 0.315 102 G C 0.649 175.393 174.900 -0.260 0.000 1.258 102 G CA 0.627 45.661 45.100 -0.111 0.000 1.002 102 G HN 0.304 nan 8.290 nan 0.000 0.551 103 L N 1.902 122.886 121.223 -0.398 0.000 2.741 103 L HA 0.381 4.722 4.340 0.002 0.000 0.237 103 L C 1.593 178.194 176.870 -0.448 0.000 1.178 103 L CA 0.524 54.889 54.840 -0.791 0.000 0.973 103 L CB -0.004 41.605 42.059 -0.751 0.000 1.255 103 L HN 0.658 nan 8.230 nan 0.000 0.498 104 S N -1.255 114.340 115.700 -0.175 0.000 2.672 104 S HA 0.345 4.816 4.470 0.002 0.000 0.276 104 S C 0.258 174.785 174.600 -0.123 0.000 1.207 104 S CA -0.472 57.647 58.200 -0.135 0.000 1.002 104 S CB 0.834 64.065 63.200 0.052 0.000 0.998 104 S HN 0.158 nan 8.310 nan 0.000 0.542 105 F N 0.394 120.461 119.950 0.196 0.000 2.660 105 F HA 0.423 4.951 4.527 0.001 0.000 0.302 105 F C 2.016 177.826 175.800 0.017 0.000 1.103 105 F CA -0.119 57.943 58.000 0.103 0.000 1.340 105 F CB -0.527 38.509 39.000 0.059 0.000 1.048 105 F HN 0.738 nan 8.300 nan 0.000 0.551 106 A N 0.900 123.797 122.820 0.129 0.000 1.872 106 A HA 0.287 4.608 4.320 0.002 0.000 0.214 106 A C 1.773 179.256 177.584 -0.168 0.000 1.187 106 A CA 0.533 52.590 52.037 0.035 0.000 0.614 106 A CB -1.034 18.020 19.000 0.091 0.000 0.826 106 A HN 0.239 nan 8.150 nan 0.000 0.442 107 A N 0.961 123.508 122.820 -0.456 0.000 2.552 107 A HA 0.206 4.527 4.320 0.002 0.000 0.275 107 A C -2.002 175.331 177.584 -0.418 0.000 0.917 107 A CA -0.143 51.354 52.037 -0.901 0.000 1.021 107 A CB -0.982 17.654 19.000 -0.606 0.000 0.774 107 A HN 0.357 nan 8.150 nan 0.000 0.426 108 P HA -0.004 nan 4.420 nan 0.000 0.264 108 P C 1.219 178.466 177.300 -0.089 0.000 1.179 108 P CA -0.186 62.838 63.100 -0.127 0.000 0.763 108 P CB 0.369 32.043 31.700 -0.043 0.000 0.806 109 L N 3.016 124.215 121.223 -0.040 0.000 2.123 109 L HA -0.269 4.072 4.340 0.002 0.000 0.217 109 L C 2.084 178.930 176.870 -0.040 0.000 1.081 109 L CA 2.073 56.898 54.840 -0.024 0.000 0.772 109 L CB -0.328 41.739 42.059 0.012 0.000 0.890 109 L HN 0.386 nan 8.230 nan 0.000 0.437 110 K N -1.069 119.328 120.400 -0.007 0.000 2.314 110 K HA 0.012 4.333 4.320 0.002 0.000 0.198 110 K C 0.666 177.248 176.600 -0.031 0.000 1.045 110 K CA 0.520 56.822 56.287 0.025 0.000 0.988 110 K CB 0.275 32.850 32.500 0.126 0.000 0.783 110 K HN 0.330 nan 8.250 nan 0.000 0.484 111 E N -0.585 119.600 120.200 -0.026 0.000 2.542 111 E HA 0.127 4.478 4.350 0.002 0.000 0.224 111 E C 0.074 176.644 176.600 -0.051 0.000 1.110 111 E CA -0.015 56.384 56.400 -0.002 0.000 1.350 111 E CB 1.094 30.839 29.700 0.075 0.000 1.302 111 E HN 0.480 nan 8.360 nan 0.000 0.435 112 G N -0.020 108.721 108.800 -0.098 0.000 2.380 112 G HA2 -0.254 3.707 3.960 0.002 0.000 0.197 112 G HA3 -0.254 3.707 3.960 0.002 0.000 0.197 112 G C 1.152 176.069 174.900 0.028 0.000 1.001 112 G CA -0.187 44.900 45.100 -0.022 0.000 0.668 112 G HN 0.463 nan 8.290 nan 0.000 0.483 113 G N 0.836 109.612 108.800 -0.041 0.000 2.469 113 G HA2 -0.059 3.902 3.960 0.002 0.000 0.219 113 G HA3 -0.059 3.902 3.960 0.002 0.000 0.219 113 G C 1.736 176.632 174.900 -0.008 0.000 1.150 113 G CA 1.726 46.813 45.100 -0.022 0.000 0.763 113 G HN 0.734 nan 8.290 nan 0.000 0.561 114 L N -0.646 120.553 121.223 -0.040 0.000 2.083 114 L HA 0.076 4.417 4.340 0.002 0.000 0.209 114 L C 2.365 179.233 176.870 -0.004 0.000 1.083 114 L CA 1.280 56.089 54.840 -0.052 0.000 0.752 114 L CB -0.886 41.079 42.059 -0.157 0.000 0.899 114 L HN 0.523 nan 8.230 nan 0.000 0.433 115 W N -0.237 120.985 121.300 -0.129 0.000 2.338 115 W HA -0.242 4.418 4.660 0.001 0.000 0.304 115 W C 2.148 178.700 176.519 0.055 0.000 1.212 115 W CA 1.776 59.124 57.345 0.005 0.000 1.264 115 W CB -0.129 29.308 29.460 -0.039 0.000 1.142 115 W HN 0.122 nan 8.180 nan 0.000 0.512 116 L N 0.000 121.256 121.223 0.055 0.000 2.156 116 L HA -0.164 4.177 4.340 0.002 0.000 0.208 116 L C 2.382 179.149 176.870 -0.172 0.000 1.095 116 L CA 0.996 55.740 54.840 -0.160 0.000 0.770 116 L CB -0.744 41.278 42.059 -0.062 0.000 0.914 116 L HN 0.009 nan 8.230 nan 0.000 0.439 117 I N -0.006 120.494 120.570 -0.117 0.000 2.113 117 I HA -0.287 3.884 4.170 0.002 0.000 0.238 117 I C 2.861 178.916 176.117 -0.102 0.000 1.070 117 I CA 1.196 62.404 61.300 -0.153 0.000 1.332 117 I CB -0.627 37.323 38.000 -0.083 0.000 1.044 117 I HN 0.203 nan 8.210 nan 0.000 0.402 118 A N 0.433 123.235 122.820 -0.031 0.000 1.927 118 A HA -0.260 4.061 4.320 0.002 0.000 0.220 118 A C 2.487 180.100 177.584 0.048 0.000 1.185 118 A CA 2.609 54.671 52.037 0.041 0.000 0.639 118 A CB -0.891 17.971 19.000 -0.231 0.000 0.820 118 A HN 0.436 nan 8.150 nan 0.000 0.451 119 S N -1.475 114.093 115.700 -0.220 0.000 2.368 119 S HA -0.093 4.378 4.470 0.002 0.000 0.224 119 S C 1.632 176.194 174.600 -0.063 0.000 1.029 119 S CA 1.269 59.329 58.200 -0.233 0.000 0.988 119 S CB -0.506 62.278 63.200 -0.693 0.000 0.838 119 S HN 0.626 nan 8.310 nan 0.000 0.462 120 F N 1.884 121.703 119.950 -0.219 0.000 2.095 120 F HA -0.148 4.380 4.527 0.001 0.000 0.298 120 F C 1.664 177.452 175.800 -0.019 0.000 1.104 120 F CA 1.376 59.262 58.000 -0.191 0.000 1.232 120 F CB -0.452 38.328 39.000 -0.367 0.000 0.987 120 F HN 0.121 nan 8.300 nan 0.000 0.475 121 F N -0.220 119.795 119.950 0.109 0.000 2.269 121 F HA -0.178 4.350 4.527 0.002 0.000 0.301 121 F C 2.536 178.300 175.800 -0.059 0.000 1.082 121 F CA 1.196 59.224 58.000 0.047 0.000 1.360 121 F CB -0.954 38.130 39.000 0.140 0.000 1.041 121 F HN 0.080 nan 8.300 nan 0.000 0.512 122 M N -1.739 117.890 119.600 0.048 0.000 2.200 122 M HA -0.167 4.314 4.480 0.002 0.000 0.265 122 M C 2.175 178.487 176.300 0.020 0.000 1.066 122 M CA 1.388 56.554 55.300 -0.222 0.000 1.127 122 M CB -0.303 32.017 32.600 -0.466 0.000 1.379 122 M HN 0.177 nan 8.290 nan 0.000 0.420 123 F N 0.513 120.455 119.950 -0.013 0.000 1.990 123 F HA -0.229 4.299 4.527 0.001 0.000 0.294 123 F C 2.104 177.962 175.800 0.097 0.000 1.177 123 F CA 1.998 60.086 58.000 0.146 0.000 1.167 123 F CB -0.818 38.152 39.000 -0.050 0.000 0.971 123 F HN -0.148 nan 8.300 nan 0.000 0.483 124 V N 1.009 121.062 119.914 0.232 0.000 2.265 124 V HA -0.508 3.613 4.120 0.002 0.000 0.260 124 V C 2.554 178.729 176.094 0.134 0.000 1.084 124 V CA 2.543 64.918 62.300 0.125 0.000 1.086 124 V CB -1.926 29.899 31.823 0.003 0.000 0.704 124 V HN 0.619 nan 8.190 nan 0.000 0.457 125 A N -1.436 121.425 122.820 0.069 0.000 1.969 125 A HA -0.110 4.211 4.320 0.002 0.000 0.218 125 A C 2.281 179.849 177.584 -0.026 0.000 1.169 125 A CA 2.095 54.145 52.037 0.022 0.000 0.635 125 A CB -0.432 18.521 19.000 -0.078 0.000 0.810 125 A HN 0.399 nan 8.150 nan 0.000 0.445 126 V N -2.639 117.156 119.914 -0.198 0.000 2.379 126 V HA -0.186 3.935 4.120 0.002 0.000 0.243 126 V C 2.178 178.155 176.094 -0.196 0.000 1.035 126 V CA 1.339 63.402 62.300 -0.395 0.000 1.035 126 V CB -0.855 30.295 31.823 -1.122 0.000 0.673 126 V HN 0.793 nan 8.190 nan 0.000 0.457 127 W N 0.951 122.156 121.300 -0.158 0.000 2.388 127 W HA -0.172 4.489 4.660 0.003 0.000 0.294 127 W C 2.897 179.503 176.519 0.145 0.000 1.212 127 W CA 1.517 58.815 57.345 -0.078 0.000 1.271 127 W CB -0.334 28.982 29.460 -0.240 0.000 1.126 127 W HN 0.353 nan 8.180 nan 0.000 0.535 128 S N -1.140 114.767 115.700 0.345 0.000 2.406 128 S HA -0.220 4.251 4.470 0.002 0.000 0.228 128 S C 1.646 176.403 174.600 0.261 0.000 1.020 128 S CA 0.761 59.127 58.200 0.278 0.000 0.965 128 S CB -1.222 62.111 63.200 0.222 0.000 0.798 128 S HN 0.476 nan 8.310 nan 0.000 0.488 129 W N 0.947 122.321 121.300 0.124 0.000 2.374 129 W HA -0.071 4.590 4.660 0.002 0.000 0.288 129 W C 1.784 178.435 176.519 0.219 0.000 1.218 129 W CA 0.922 58.333 57.345 0.109 0.000 1.245 129 W CB -0.402 29.091 29.460 0.054 0.000 1.126 129 W HN 0.530 nan 8.180 nan 0.000 0.545 130 W N 1.418 122.894 121.300 0.294 0.000 2.418 130 W HA 0.020 4.681 4.660 0.001 0.000 0.292 130 W C 2.414 178.989 176.519 0.093 0.000 1.213 130 W CA 2.754 60.239 57.345 0.232 0.000 1.283 130 W CB -0.771 28.683 29.460 -0.009 0.000 1.119 130 W HN -0.139 nan 8.180 nan 0.000 0.542 131 G N 0.523 109.418 108.800 0.158 0.000 2.422 131 G HA2 -0.300 3.661 3.960 0.002 0.000 0.218 131 G HA3 -0.300 3.661 3.960 0.002 0.000 0.218 131 G C 1.544 176.286 174.900 -0.263 0.000 1.146 131 G CA 1.034 46.071 45.100 -0.104 0.000 0.769 131 G HN 0.317 nan 8.290 nan 0.000 0.547 132 R N 0.519 120.866 120.500 -0.255 0.000 2.070 132 R HA -0.114 4.227 4.340 0.002 0.000 0.233 132 R C 2.911 178.941 176.300 -0.449 0.000 1.137 132 R CA 2.290 58.161 56.100 -0.380 0.000 0.945 132 R CB -0.784 29.169 30.300 -0.577 0.000 0.845 132 R HN 0.409 nan 8.270 nan 0.000 0.430 133 T N -1.669 112.582 114.554 -0.505 0.000 2.803 133 T HA -0.229 4.122 4.350 0.002 0.000 0.269 133 T C 1.735 176.164 174.700 -0.451 0.000 1.052 133 T CA 1.363 63.192 62.100 -0.452 0.000 1.136 133 T CB -0.560 68.103 68.868 -0.341 0.000 0.864 133 T HN 0.405 nan 8.240 nan 0.000 0.467 134 Y N 1.952 121.842 120.300 -0.682 0.000 2.153 134 Y HA 0.201 4.752 4.550 0.002 0.000 0.289 134 Y C 2.224 177.853 175.900 -0.451 0.000 1.119 134 Y CA 0.619 58.319 58.100 -0.667 0.000 1.116 134 Y CB -0.565 37.357 38.460 -0.898 0.000 1.004 134 Y HN 0.092 nan 8.280 nan 0.000 0.501 135 L N 0.155 121.354 121.223 -0.039 0.000 1.997 135 L HA -0.333 4.008 4.340 0.002 0.000 0.216 135 L C 2.541 179.274 176.870 -0.228 0.000 1.074 135 L CA 1.759 56.545 54.840 -0.091 0.000 0.763 135 L CB -0.669 41.311 42.059 -0.130 0.000 0.890 135 L HN 0.229 nan 8.230 nan 0.000 0.434 136 R N 0.116 120.424 120.500 -0.320 0.000 2.193 136 R HA -0.094 4.247 4.340 0.002 0.000 0.229 136 R C 2.169 178.281 176.300 -0.313 0.000 1.110 136 R CA 1.312 57.191 56.100 -0.370 0.000 0.988 136 R CB -0.844 29.222 30.300 -0.390 0.000 0.871 136 R HN 0.413 nan 8.270 nan 0.000 0.458 137 A N 1.043 123.666 122.820 -0.328 0.000 1.968 137 A HA -0.153 4.168 4.320 0.002 0.000 0.217 137 A C 2.216 179.630 177.584 -0.283 0.000 1.169 137 A CA 0.969 52.815 52.037 -0.319 0.000 0.638 137 A CB -0.301 18.450 19.000 -0.414 0.000 0.812 137 A HN 0.330 nan 8.150 nan 0.000 0.446 138 Q N -0.498 119.134 119.800 -0.279 0.000 2.016 138 Q HA -0.088 4.253 4.340 0.002 0.000 0.200 138 Q C 2.264 178.176 176.000 -0.147 0.000 0.978 138 Q CA 1.411 57.103 55.803 -0.186 0.000 0.833 138 Q CB -0.353 28.334 28.738 -0.085 0.000 0.895 138 Q HN 0.586 nan 8.270 nan 0.000 0.427 139 A N 0.626 123.343 122.820 -0.170 0.000 1.958 139 A HA -0.198 4.123 4.320 0.002 0.000 0.221 139 A C 1.857 179.355 177.584 -0.142 0.000 1.178 139 A CA 1.483 53.423 52.037 -0.162 0.000 0.642 139 A CB -0.643 18.216 19.000 -0.236 0.000 0.816 139 A HN 0.463 nan 8.150 nan 0.000 0.453 140 L N -1.723 119.404 121.223 -0.160 0.000 2.592 140 L HA 0.247 4.588 4.340 0.002 0.000 0.227 140 L C 1.716 178.519 176.870 -0.111 0.000 1.127 140 L CA 0.475 55.236 54.840 -0.132 0.000 0.884 140 L CB -0.033 41.940 42.059 -0.143 0.000 1.065 140 L HN 0.589 nan 8.230 nan 0.000 0.457 141 G N -0.043 108.690 108.800 -0.112 0.000 2.184 141 G HA2 -0.309 3.652 3.960 0.002 0.000 0.264 141 G HA3 -0.309 3.652 3.960 0.002 0.000 0.264 141 G C 0.388 175.231 174.900 -0.095 0.000 0.975 141 G CA 0.177 45.222 45.100 -0.091 0.000 0.642 141 G HN 0.256 nan 8.290 nan 0.000 0.536 142 M N 0.746 120.273 119.600 -0.122 0.000 2.202 142 M HA 0.486 4.967 4.480 0.002 0.000 0.316 142 M C 1.486 177.716 176.300 -0.118 0.000 1.138 142 M CA 0.258 55.487 55.300 -0.118 0.000 1.151 142 M CB 0.347 32.863 32.600 -0.141 0.000 1.422 142 M HN 0.222 nan 8.290 nan 0.000 0.471 143 G N 0.650 109.424 108.800 -0.043 0.000 2.667 143 G HA2 0.122 4.083 3.960 0.002 0.000 0.250 143 G HA3 0.122 4.083 3.960 0.002 0.000 0.250 143 G C 0.297 175.170 174.900 -0.046 0.000 1.212 143 G CA -0.549 44.593 45.100 0.070 0.000 0.874 143 G HN 0.628 nan 8.290 nan 0.000 0.561 144 K N -0.309 119.992 120.400 -0.165 0.000 2.500 144 K HA 0.116 4.437 4.320 0.002 0.000 0.206 144 K C 1.443 177.779 176.600 -0.440 0.000 1.034 144 K CA -0.102 55.881 56.287 -0.507 0.000 1.179 144 K CB -0.118 31.905 32.500 -0.795 0.000 0.884 144 K HN 0.596 nan 8.250 nan 0.000 0.493 145 H N 0.306 119.275 119.070 -0.169 0.000 2.319 145 H HA -0.093 4.464 4.556 0.002 0.000 0.299 145 H C 1.707 176.984 175.328 -0.085 0.000 1.092 145 H CA 2.229 58.242 56.048 -0.058 0.000 1.302 145 H CB -0.310 29.411 29.762 -0.069 0.000 1.373 145 H HN 0.089 nan 8.280 nan 0.000 0.497 146 T N 0.222 114.758 114.554 -0.029 0.000 2.684 146 T HA -0.176 4.175 4.350 0.002 0.000 0.267 146 T C 2.358 177.033 174.700 -0.042 0.000 1.036 146 T CA 1.368 63.436 62.100 -0.054 0.000 1.148 146 T CB -0.549 68.248 68.868 -0.118 0.000 0.863 146 T HN 0.520 nan 8.240 nan 0.000 0.436 147 A N 0.314 122.985 122.820 -0.247 0.000 1.930 147 A HA -0.035 4.286 4.320 0.002 0.000 0.217 147 A C 2.108 179.781 177.584 0.148 0.000 1.175 147 A CA 1.028 52.904 52.037 -0.267 0.000 0.627 147 A CB -1.054 17.468 19.000 -0.798 0.000 0.815 147 A HN 0.734 nan 8.150 nan 0.000 0.443 148 W N -0.447 120.958 121.300 0.175 0.000 2.418 148 W HA 0.058 4.719 4.660 0.002 0.000 0.292 148 W C 2.698 179.268 176.519 0.084 0.000 1.213 148 W CA 0.497 57.929 57.345 0.146 0.000 1.283 148 W CB -0.011 29.441 29.460 -0.014 0.000 1.119 148 W HN 0.376 nan 8.180 nan 0.000 0.542 149 A N 0.219 123.189 122.820 0.249 0.000 1.902 149 A HA -0.233 4.088 4.320 0.002 0.000 0.217 149 A C 1.746 179.480 177.584 0.251 0.000 1.181 149 A CA 1.388 53.513 52.037 0.146 0.000 0.623 149 A CB -1.128 17.913 19.000 0.068 0.000 0.818 149 A HN 0.351 nan 8.150 nan 0.000 0.443 150 F N 0.174 120.207 119.950 0.139 0.000 2.234 150 F HA -0.040 4.488 4.527 0.002 0.000 0.299 150 F C 1.672 177.572 175.800 0.167 0.000 1.087 150 F CA 0.876 58.962 58.000 0.144 0.000 1.340 150 F CB -0.543 38.558 39.000 0.168 0.000 1.031 150 F HN 0.176 nan 8.300 nan 0.000 0.500 151 L N -0.105 121.235 121.223 0.195 0.000 2.079 151 L HA -0.190 4.151 4.340 0.002 0.000 0.210 151 L C 2.685 179.566 176.870 0.017 0.000 1.081 151 L CA 2.150 56.975 54.840 -0.024 0.000 0.752 151 L CB -1.274 40.919 42.059 0.225 0.000 0.896 151 L HN 0.259 nan 8.230 nan 0.000 0.433 152 S N -1.149 114.618 115.700 0.110 0.000 2.382 152 S HA -0.152 4.319 4.470 0.002 0.000 0.228 152 S C 2.155 176.875 174.600 0.200 0.000 1.027 152 S CA 1.098 59.388 58.200 0.150 0.000 0.991 152 S CB -0.347 62.923 63.200 0.117 0.000 0.823 152 S HN 0.624 nan 8.310 nan 0.000 0.469 153 A N 1.263 124.170 122.820 0.144 0.000 1.902 153 A HA 0.021 4.342 4.320 0.002 0.000 0.217 153 A C 2.126 179.739 177.584 0.047 0.000 1.181 153 A CA 1.433 53.543 52.037 0.121 0.000 0.623 153 A CB -0.717 18.390 19.000 0.179 0.000 0.818 153 A HN 0.621 nan 8.150 nan 0.000 0.443 154 I N -1.726 118.767 120.570 -0.128 0.000 2.315 154 I HA -0.255 3.916 4.170 0.002 0.000 0.248 154 I C 2.413 178.621 176.117 0.152 0.000 1.117 154 I CA 1.025 62.181 61.300 -0.241 0.000 1.404 154 I CB -0.292 37.245 38.000 -0.771 0.000 1.071 154 I HN 0.743 nan 8.210 nan 0.000 0.419 155 W N 1.667 122.944 121.300 -0.037 0.000 2.277 155 W HA -0.388 4.273 4.660 0.002 0.000 0.330 155 W C 2.441 179.006 176.519 0.078 0.000 1.263 155 W CA 1.579 58.945 57.345 0.035 0.000 1.211 155 W CB -0.594 28.879 29.460 0.022 0.000 1.167 155 W HN 0.126 nan 8.180 nan 0.000 0.459 156 L N 0.957 122.152 121.223 -0.046 0.000 2.103 156 L HA -0.265 4.076 4.340 0.002 0.000 0.215 156 L C 2.174 179.003 176.870 -0.068 0.000 1.080 156 L CA 3.068 57.808 54.840 -0.167 0.000 0.764 156 L CB -1.396 40.662 42.059 -0.001 0.000 0.890 156 L HN 0.417 nan 8.230 nan 0.000 0.435 157 W N -1.183 120.024 121.300 -0.156 0.000 2.481 157 W HA -0.103 4.558 4.660 0.002 0.000 0.293 157 W C 2.213 178.680 176.519 -0.087 0.000 1.201 157 W CA 0.793 58.061 57.345 -0.130 0.000 1.328 157 W CB -0.133 29.232 29.460 -0.159 0.000 1.112 157 W HN 0.008 nan 8.180 nan 0.000 0.546 158 M N 0.641 120.132 119.600 -0.182 0.000 2.108 158 M HA -0.196 4.285 4.480 0.002 0.000 0.261 158 M C 1.945 178.136 176.300 -0.183 0.000 1.066 158 M CA 1.430 56.540 55.300 -0.316 0.000 1.107 158 M CB -1.535 31.111 32.600 0.076 0.000 1.356 158 M HN 0.019 nan 8.290 nan 0.000 0.406 159 V N 0.605 120.359 119.914 -0.268 0.000 2.287 159 V HA -0.283 3.838 4.120 0.002 0.000 0.248 159 V C 2.499 178.494 176.094 -0.164 0.000 1.053 159 V CA 1.562 63.679 62.300 -0.306 0.000 1.027 159 V CB -0.581 30.878 31.823 -0.607 0.000 0.646 159 V HN 0.405 nan 8.190 nan 0.000 0.447 160 L N -0.026 121.089 121.223 -0.180 0.000 2.017 160 L HA -0.068 4.273 4.340 0.002 0.000 0.208 160 L C 2.422 179.238 176.870 -0.090 0.000 1.073 160 L CA 1.888 56.651 54.840 -0.129 0.000 0.745 160 L CB -0.841 41.108 42.059 -0.184 0.000 0.894 160 L HN 0.471 nan 8.230 nan 0.000 0.432 161 G N -2.382 106.324 108.800 -0.157 0.000 2.719 161 G HA2 -0.093 3.868 3.960 0.002 0.000 0.211 161 G HA3 -0.093 3.868 3.960 0.002 0.000 0.211 161 G C 1.064 176.114 174.900 0.249 0.000 1.140 161 G CA 0.097 45.191 45.100 -0.010 0.000 0.790 161 G HN 0.268 nan 8.290 nan 0.000 0.529 162 F N -0.349 119.602 119.950 0.003 0.000 2.212 162 F HA 0.393 4.921 4.527 0.001 0.000 0.262 162 F C 2.088 177.970 175.800 0.138 0.000 0.906 162 F CA -0.086 58.016 58.000 0.170 0.000 1.127 162 F CB 0.037 39.115 39.000 0.129 0.000 1.178 162 F HN -0.041 nan 8.300 nan 0.000 0.779 163 I N 0.707 121.386 120.570 0.182 0.000 2.133 163 I HA -0.191 3.980 4.170 0.002 0.000 0.238 163 I C 2.578 178.675 176.117 -0.033 0.000 1.074 163 I CA 1.421 62.759 61.300 0.063 0.000 1.342 163 I CB -0.501 37.563 38.000 0.106 0.000 1.053 163 I HN 0.075 nan 8.210 nan 0.000 0.404 164 R N 0.821 121.314 120.500 -0.012 0.000 2.070 164 R HA -0.151 4.190 4.340 0.002 0.000 0.233 164 R C -0.387 175.910 176.300 -0.005 0.000 1.137 164 R CA 1.896 58.002 56.100 0.009 0.000 0.945 164 R CB -1.258 29.080 30.300 0.063 0.000 0.845 164 R HN 0.196 nan 8.270 nan 0.000 0.430 165 P HA -0.191 nan 4.420 nan 0.000 0.216 165 P C 1.130 178.272 177.300 -0.264 0.000 1.154 165 P CA 1.486 64.561 63.100 -0.043 0.000 0.865 165 P CB -0.055 31.719 31.700 0.124 0.000 0.789 166 I N -1.653 118.714 120.570 -0.339 0.000 2.315 166 I HA -0.183 3.988 4.170 0.002 0.000 0.248 166 I C 2.107 178.062 176.117 -0.269 0.000 1.117 166 I CA 1.179 62.213 61.300 -0.442 0.000 1.404 166 I CB -0.427 37.284 38.000 -0.481 0.000 1.071 166 I HN -0.102 nan 8.210 nan 0.000 0.419 167 L N -0.092 121.034 121.223 -0.162 0.000 2.376 167 L HA -0.107 4.234 4.340 0.002 0.000 0.219 167 L C 1.967 178.783 176.870 -0.091 0.000 1.133 167 L CA 0.547 55.328 54.840 -0.099 0.000 0.816 167 L CB -0.203 41.828 42.059 -0.045 0.000 0.933 167 L HN 0.301 nan 8.230 nan 0.000 0.449 168 M N -0.971 118.567 119.600 -0.104 0.000 2.428 168 M HA 0.258 4.739 4.480 0.002 0.000 0.239 168 M C 1.556 177.779 176.300 -0.128 0.000 1.121 168 M CA 0.644 55.893 55.300 -0.085 0.000 1.019 168 M CB -0.355 32.220 32.600 -0.043 0.000 1.485 168 M HN 0.309 nan 8.290 nan 0.000 0.484 169 G N 1.992 110.677 108.800 -0.192 0.000 2.168 169 G HA2 -0.244 3.717 3.960 0.002 0.000 0.263 169 G HA3 -0.244 3.717 3.960 0.002 0.000 0.263 169 G C 0.168 174.898 174.900 -0.283 0.000 0.977 169 G CA 0.640 45.602 45.100 -0.229 0.000 0.659 169 G HN 0.663 nan 8.290 nan 0.000 0.533 170 S N -2.333 113.187 115.700 -0.299 0.000 2.537 170 S HA 0.542 5.013 4.470 0.002 0.000 0.270 170 S C 0.202 174.636 174.600 -0.277 0.000 1.142 170 S CA -0.272 57.746 58.200 -0.302 0.000 0.870 170 S CB 0.715 63.827 63.200 -0.146 0.000 1.112 170 S HN 0.389 nan 8.310 nan 0.000 0.466 171 W N 1.502 122.730 121.300 -0.121 0.000 2.825 171 W HA 0.048 4.709 4.660 0.002 0.000 0.243 171 W C 2.378 178.731 176.519 -0.277 0.000 1.293 171 W CA 0.429 57.668 57.345 -0.176 0.000 1.403 171 W CB 0.032 29.388 29.460 -0.173 0.000 1.134 171 W HN 0.914 nan 8.180 nan 0.000 0.666 172 S N -0.305 115.396 115.700 0.003 0.000 2.561 172 S HA -0.090 4.381 4.470 0.002 0.000 0.225 172 S C 1.403 176.024 174.600 0.036 0.000 0.977 172 S CA 0.688 58.862 58.200 -0.044 0.000 0.926 172 S CB -0.159 63.032 63.200 -0.015 0.000 0.769 172 S HN 0.210 nan 8.310 nan 0.000 0.533 173 E N 1.745 122.000 120.200 0.091 0.000 2.285 173 E HA 0.261 4.612 4.350 0.002 0.000 0.194 173 E C 1.166 178.019 176.600 0.421 0.000 0.997 173 E CA 0.544 57.093 56.400 0.247 0.000 0.845 173 E CB -0.365 29.454 29.700 0.198 0.000 0.782 173 E HN 0.719 nan 8.360 nan 0.000 0.491 174 A N 1.241 124.162 122.820 0.168 0.000 2.327 174 A HA 0.265 4.586 4.320 0.002 0.000 0.255 174 A C 0.419 177.876 177.584 -0.212 0.000 1.099 174 A CA -0.370 51.697 52.037 0.050 0.000 0.801 174 A CB 0.540 19.592 19.000 0.086 0.000 1.062 174 A HN -0.030 nan 8.150 nan 0.000 0.496 175 V N 2.469 122.094 119.914 -0.482 0.000 2.509 175 V HA 0.347 4.468 4.120 0.002 0.000 0.284 175 V C -1.910 173.950 176.094 -0.391 0.000 1.047 175 V CA -1.139 60.605 62.300 -0.927 0.000 0.952 175 V CB 1.155 32.387 31.823 -0.984 0.000 0.988 175 V HN 0.849 nan 8.190 nan 0.000 0.469 176 P HA 0.247 nan 4.420 nan 0.000 0.278 176 P C -1.466 175.805 177.300 -0.049 0.000 1.238 176 P CA -0.431 62.628 63.100 -0.069 0.000 0.794 176 P CB 0.484 32.225 31.700 0.069 0.000 0.955 177 Y N 1.040 121.546 120.300 0.343 0.000 2.556 177 Y HA 0.575 5.126 4.550 0.002 0.000 0.352 177 Y C 1.393 177.470 175.900 0.295 0.000 1.006 177 Y CA 0.371 58.610 58.100 0.231 0.000 1.277 177 Y CB 0.220 38.755 38.460 0.124 0.000 1.136 177 Y HN 0.547 nan 8.280 nan 0.000 0.523 178 G N 2.063 111.072 108.800 0.349 0.000 2.655 178 G HA2 0.311 4.272 3.960 0.002 0.000 0.296 178 G HA3 0.311 4.272 3.960 0.002 0.000 0.296 178 G C -0.044 174.981 174.900 0.209 0.000 1.485 178 G CA -0.825 44.505 45.100 0.384 0.000 0.869 178 G HN 0.295 nan 8.290 nan 0.000 0.540 179 I N 0.694 121.314 120.570 0.083 0.000 2.072 179 I HA -0.063 4.108 4.170 0.002 0.000 0.235 179 I C 2.556 178.743 176.117 0.115 0.000 1.058 179 I CA 1.573 62.813 61.300 -0.101 0.000 1.320 179 I CB -0.991 36.624 38.000 -0.642 0.000 1.047 179 I HN 0.449 nan 8.210 nan 0.000 0.397 180 F N 1.831 121.764 119.950 -0.030 0.000 2.186 180 F HA -0.150 4.378 4.527 0.002 0.000 0.299 180 F C 3.033 178.865 175.800 0.054 0.000 1.090 180 F CA 1.267 59.233 58.000 -0.056 0.000 1.307 180 F CB -1.575 37.290 39.000 -0.224 0.000 1.019 180 F HN 0.207 nan 8.300 nan 0.000 0.489 181 S N -0.251 115.625 115.700 0.294 0.000 2.423 181 S HA -0.219 4.252 4.470 0.002 0.000 0.231 181 S C 2.090 176.874 174.600 0.306 0.000 1.014 181 S CA 1.365 59.728 58.200 0.271 0.000 0.965 181 S CB -1.028 62.328 63.200 0.260 0.000 0.785 181 S HN 0.645 nan 8.310 nan 0.000 0.495 182 H N 1.777 120.954 119.070 0.179 0.000 2.448 182 H HA 0.206 4.763 4.556 0.002 0.000 0.292 182 H C 1.966 177.425 175.328 0.218 0.000 1.035 182 H CA 0.940 57.087 56.048 0.165 0.000 1.349 182 H CB -0.755 29.055 29.762 0.080 0.000 1.425 182 H HN 0.417 nan 8.280 nan 0.000 0.539 183 L N 0.872 121.990 121.223 -0.174 0.000 2.042 183 L HA -0.180 4.161 4.340 0.002 0.000 0.210 183 L C 2.276 179.167 176.870 0.034 0.000 1.076 183 L CA 1.636 56.400 54.840 -0.126 0.000 0.749 183 L CB -0.370 41.680 42.059 -0.016 0.000 0.893 183 L HN 0.202 nan 8.230 nan 0.000 0.432 184 D N -0.854 119.611 120.400 0.108 0.000 2.097 184 D HA -0.236 4.405 4.640 0.002 0.000 0.195 184 D C 1.733 178.135 176.300 0.170 0.000 0.989 184 D CA 1.138 55.207 54.000 0.114 0.000 0.827 184 D CB -0.327 40.545 40.800 0.121 0.000 0.966 184 D HN 0.412 nan 8.370 nan 0.000 0.456 185 W N 1.869 123.202 121.300 0.055 0.000 2.325 185 W HA -0.257 4.404 4.660 0.001 0.000 0.299 185 W C 2.178 178.756 176.519 0.098 0.000 1.215 185 W CA 2.387 59.783 57.345 0.085 0.000 1.244 185 W CB -0.285 29.232 29.460 0.095 0.000 1.140 185 W HN -0.113 nan 8.180 nan 0.000 0.523 186 T N 0.046 114.824 114.554 0.373 0.000 2.701 186 T HA -0.279 4.072 4.350 0.002 0.000 0.263 186 T C 1.413 176.152 174.700 0.066 0.000 1.040 186 T CA 1.691 63.928 62.100 0.228 0.000 1.147 186 T CB -0.791 68.169 68.868 0.154 0.000 0.865 186 T HN 0.241 nan 8.240 nan 0.000 0.426 187 N N 1.523 120.244 118.700 0.034 0.000 2.069 187 N HA -0.137 4.604 4.740 0.002 0.000 0.191 187 N C 1.726 177.214 175.510 -0.038 0.000 1.031 187 N CA 1.725 54.766 53.050 -0.014 0.000 0.852 187 N CB -0.520 37.956 38.487 -0.019 0.000 1.018 187 N HN 0.317 nan 8.380 nan 0.000 0.423 188 N N -0.960 117.709 118.700 -0.052 0.000 2.069 188 N HA -0.157 4.584 4.740 0.002 0.000 0.191 188 N C 1.536 176.953 175.510 -0.156 0.000 1.031 188 N CA 1.230 54.214 53.050 -0.109 0.000 0.852 188 N CB -0.490 37.923 38.487 -0.123 0.000 1.018 188 N HN 0.293 nan 8.380 nan 0.000 0.423 189 F N 0.659 120.376 119.950 -0.390 0.000 2.120 189 F HA -0.198 4.329 4.527 0.001 0.000 0.300 189 F C 2.681 178.455 175.800 -0.044 0.000 1.095 189 F CA 1.622 59.419 58.000 -0.337 0.000 1.249 189 F CB -0.882 37.702 39.000 -0.694 0.000 0.995 189 F HN 0.034 nan 8.300 nan 0.000 0.480 190 S N 0.334 116.115 115.700 0.135 0.000 2.351 190 S HA -0.200 4.271 4.470 0.002 0.000 0.220 190 S C 2.169 176.758 174.600 -0.019 0.000 1.035 190 S CA 1.730 59.965 58.200 0.058 0.000 1.031 190 S CB -0.663 62.503 63.200 -0.058 0.000 0.928 190 S HN 0.420 nan 8.310 nan 0.000 0.433 191 L N 0.971 122.150 121.223 -0.074 0.000 2.051 191 L HA -0.127 4.214 4.340 0.002 0.000 0.214 191 L C 2.364 179.150 176.870 -0.140 0.000 1.076 191 L CA 1.233 56.017 54.840 -0.093 0.000 0.758 191 L CB -0.661 41.337 42.059 -0.101 0.000 0.890 191 L HN 0.242 nan 8.230 nan 0.000 0.433 192 V N -1.411 118.358 119.914 -0.241 0.000 3.217 192 V HA -0.163 3.958 4.120 0.002 0.000 0.264 192 V C 1.461 177.206 176.094 -0.582 0.000 1.135 192 V CA 1.115 63.170 62.300 -0.407 0.000 1.142 192 V CB -0.685 30.835 31.823 -0.504 0.000 0.754 192 V HN 0.460 nan 8.190 nan 0.000 0.484 193 H N -0.542 118.400 119.070 -0.213 0.000 2.486 193 H HA 0.333 4.890 4.556 0.002 0.000 0.284 193 H C 1.703 177.062 175.328 0.052 0.000 1.103 193 H CA 0.670 56.642 56.048 -0.125 0.000 1.089 193 H CB 0.482 30.160 29.762 -0.141 0.000 1.603 193 H HN 0.409 nan 8.280 nan 0.000 0.557 194 G N 2.262 111.119 108.800 0.094 0.000 2.143 194 G HA2 -0.337 3.624 3.960 0.002 0.000 0.248 194 G HA3 -0.337 3.624 3.960 0.002 0.000 0.248 194 G C -0.081 174.997 174.900 0.298 0.000 0.991 194 G CA 0.395 45.592 45.100 0.162 0.000 0.689 194 G HN 0.630 nan 8.290 nan 0.000 0.522 195 N N -1.857 116.975 118.700 0.220 0.000 4.028 195 N HA -0.136 4.605 4.740 0.002 0.000 0.278 195 N C 0.789 176.368 175.510 0.117 0.000 2.141 195 N CA 0.807 53.937 53.050 0.133 0.000 2.619 195 N CB -1.159 37.451 38.487 0.206 0.000 0.444 195 N HN 0.451 nan 8.380 nan 0.000 0.549 196 L N 2.766 123.898 121.223 -0.152 0.000 2.362 196 L HA -0.042 4.299 4.340 0.002 0.000 0.219 196 L C 1.603 178.292 176.870 -0.302 0.000 1.134 196 L CA 0.667 55.320 54.840 -0.311 0.000 0.807 196 L CB -0.382 41.335 42.059 -0.570 0.000 0.927 196 L HN 0.461 nan 8.230 nan 0.000 0.447 197 F N -0.915 118.833 119.950 -0.337 0.000 2.449 197 F HA -0.204 4.324 4.527 0.002 0.000 0.299 197 F C 1.818 177.456 175.800 -0.270 0.000 1.092 197 F CA 0.714 58.544 58.000 -0.284 0.000 1.446 197 F CB -0.947 37.850 39.000 -0.338 0.000 1.084 197 F HN 0.123 nan 8.300 nan 0.000 0.567 198 Y N -1.460 118.993 120.300 0.255 0.000 2.462 198 Y HA 0.099 4.650 4.550 0.002 0.000 0.261 198 Y C 1.137 177.157 175.900 0.199 0.000 1.146 198 Y CA -0.442 57.844 58.100 0.310 0.000 1.283 198 Y CB -0.415 38.321 38.460 0.460 0.000 1.090 198 Y HN -0.172 nan 8.280 nan 0.000 0.526 199 N N 2.870 121.510 118.700 -0.100 0.000 2.405 199 N HA 0.025 4.766 4.740 0.002 0.000 0.260 199 N C -1.901 173.369 175.510 -0.401 0.000 1.152 199 N CA -1.621 50.913 53.050 -0.860 0.000 0.948 199 N CB 1.197 38.884 38.487 -1.334 0.000 1.111 199 N HN 0.040 nan 8.380 nan 0.000 0.485 200 P HA -0.072 nan 4.420 nan 0.000 0.223 200 P C 1.113 178.195 177.300 -0.365 0.000 1.151 200 P CA 0.944 63.896 63.100 -0.246 0.000 0.787 200 P CB 0.057 31.646 31.700 -0.185 0.000 0.788 201 F N -0.315 119.521 119.950 -0.190 0.000 2.113 201 F HA -0.147 4.381 4.527 0.002 0.000 0.297 201 F C 2.888 178.643 175.800 -0.074 0.000 1.103 201 F CA 1.300 59.243 58.000 -0.096 0.000 1.248 201 F CB -1.668 37.274 39.000 -0.096 0.000 0.999 201 F HN 0.080 nan 8.300 nan 0.000 0.475 202 H N 0.228 119.273 119.070 -0.041 0.000 2.357 202 H HA -0.165 4.392 4.556 0.002 0.000 0.296 202 H C 2.316 177.617 175.328 -0.044 0.000 1.108 202 H CA 1.751 57.774 56.048 -0.041 0.000 1.273 202 H CB -0.562 29.149 29.762 -0.086 0.000 1.367 202 H HN 0.347 nan 8.280 nan 0.000 0.498 203 G N 0.318 109.106 108.800 -0.020 0.000 2.448 203 G HA2 -0.102 3.859 3.960 0.002 0.000 0.218 203 G HA3 -0.102 3.859 3.960 0.002 0.000 0.218 203 G C 2.099 176.878 174.900 -0.202 0.000 1.135 203 G CA 0.304 45.338 45.100 -0.110 0.000 0.784 203 G HN 0.342 nan 8.290 nan 0.000 0.543 204 L N 0.144 121.279 121.223 -0.146 0.000 2.044 204 L HA -0.034 4.307 4.340 0.002 0.000 0.205 204 L C 3.094 179.918 176.870 -0.076 0.000 1.075 204 L CA 0.930 55.673 54.840 -0.161 0.000 0.747 204 L CB -0.459 41.616 42.059 0.027 0.000 0.903 204 L HN 0.229 nan 8.230 nan 0.000 0.435 205 S N 0.268 115.998 115.700 0.051 0.000 2.390 205 S HA -0.287 4.184 4.470 0.002 0.000 0.234 205 S C 1.886 176.422 174.600 -0.107 0.000 1.063 205 S CA 2.069 60.296 58.200 0.044 0.000 1.108 205 S CB -0.371 62.782 63.200 -0.078 0.000 0.975 205 S HN 0.259 nan 8.310 nan 0.000 0.442 206 I N 1.280 121.657 120.570 -0.323 0.000 2.163 206 I HA -0.236 3.935 4.170 0.002 0.000 0.243 206 I C 2.583 178.367 176.117 -0.555 0.000 1.085 206 I CA 1.240 62.222 61.300 -0.529 0.000 1.347 206 I CB -0.490 37.110 38.000 -0.667 0.000 1.044 206 I HN 0.328 nan 8.210 nan 0.000 0.408 207 A N 0.568 123.119 122.820 -0.447 0.000 1.917 207 A HA -0.230 4.091 4.320 0.002 0.000 0.219 207 A C 2.083 179.504 177.584 -0.273 0.000 1.182 207 A CA 1.829 53.627 52.037 -0.398 0.000 0.633 207 A CB -0.997 17.672 19.000 -0.552 0.000 0.819 207 A HN 0.363 nan 8.150 nan 0.000 0.448 208 F N -0.961 118.982 119.950 -0.012 0.000 2.206 208 F HA -0.017 4.511 4.527 0.002 0.000 0.298 208 F C 2.007 177.856 175.800 0.082 0.000 1.090 208 F CA 1.023 59.057 58.000 0.057 0.000 1.323 208 F CB -0.671 38.374 39.000 0.074 0.000 1.028 208 F HN 0.276 nan 8.300 nan 0.000 0.492 209 L N -1.268 120.072 121.223 0.195 0.000 2.072 209 L HA -0.154 4.187 4.340 0.002 0.000 0.205 209 L C 2.174 179.214 176.870 0.283 0.000 1.079 209 L CA 1.794 56.753 54.840 0.198 0.000 0.752 209 L CB -1.012 41.119 42.059 0.120 0.000 0.906 209 L HN 0.008 nan 8.230 nan 0.000 0.436 210 Y N 0.562 120.906 120.300 0.073 0.000 2.200 210 Y HA -0.002 4.549 4.550 0.002 0.000 0.290 210 Y C 2.595 178.538 175.900 0.070 0.000 1.137 210 Y CA 0.685 58.817 58.100 0.053 0.000 1.163 210 Y CB -1.539 36.928 38.460 0.012 0.000 0.988 210 Y HN 0.273 nan 8.280 nan 0.000 0.518 211 G N -0.659 108.293 108.800 0.254 0.000 2.476 211 G HA2 -0.281 3.680 3.960 0.002 0.000 0.218 211 G HA3 -0.281 3.680 3.960 0.002 0.000 0.218 211 G C 1.989 177.004 174.900 0.191 0.000 1.164 211 G CA 1.471 46.691 45.100 0.200 0.000 0.768 211 G HN 0.401 nan 8.290 nan 0.000 0.560 212 S N 1.034 116.867 115.700 0.221 0.000 2.387 212 S HA -0.086 4.385 4.470 0.002 0.000 0.230 212 S C 2.712 177.439 174.600 0.213 0.000 1.035 212 S CA 1.381 59.704 58.200 0.205 0.000 1.014 212 S CB -0.356 62.971 63.200 0.212 0.000 0.836 212 S HN 0.642 nan 8.310 nan 0.000 0.466 213 A N 1.206 124.141 122.820 0.191 0.000 1.897 213 A HA 0.075 4.396 4.320 0.002 0.000 0.215 213 A C 2.098 179.761 177.584 0.133 0.000 1.181 213 A CA 1.129 53.261 52.037 0.159 0.000 0.620 213 A CB -0.630 18.437 19.000 0.112 0.000 0.821 213 A HN 0.418 nan 8.150 nan 0.000 0.443 214 L N -0.566 120.721 121.223 0.107 0.000 1.989 214 L HA -0.136 4.205 4.340 0.002 0.000 0.211 214 L C 2.194 179.101 176.870 0.061 0.000 1.071 214 L CA 2.164 57.045 54.840 0.069 0.000 0.749 214 L CB -0.739 41.349 42.059 0.049 0.000 0.890 214 L HN 0.288 nan 8.230 nan 0.000 0.431 215 L N -1.223 120.033 121.223 0.056 0.000 1.989 215 L HA -0.204 4.137 4.340 0.002 0.000 0.211 215 L C 2.324 179.270 176.870 0.126 0.000 1.071 215 L CA 1.855 56.697 54.840 0.003 0.000 0.749 215 L CB -1.114 40.933 42.059 -0.020 0.000 0.890 215 L HN 0.342 nan 8.230 nan 0.000 0.431 216 F N -0.018 119.956 119.950 0.040 0.000 2.293 216 F HA -0.029 4.499 4.527 0.002 0.000 0.300 216 F C 2.339 178.174 175.800 0.059 0.000 1.086 216 F CA 0.708 58.752 58.000 0.073 0.000 1.375 216 F CB -0.884 38.161 39.000 0.076 0.000 1.045 216 F HN 0.192 nan 8.300 nan 0.000 0.516 217 A N -0.351 122.618 122.820 0.250 0.000 1.929 217 A HA -0.169 4.152 4.320 0.002 0.000 0.216 217 A C 2.289 179.960 177.584 0.145 0.000 1.176 217 A CA 1.474 53.591 52.037 0.132 0.000 0.628 217 A CB -0.618 18.434 19.000 0.086 0.000 0.816 217 A HN 0.366 nan 8.150 nan 0.000 0.444 218 M N -1.735 117.947 119.600 0.136 0.000 2.117 218 M HA -0.154 4.327 4.480 0.002 0.000 0.262 218 M C 2.277 178.699 176.300 0.204 0.000 1.065 218 M CA 1.963 57.348 55.300 0.141 0.000 1.114 218 M CB -0.402 32.096 32.600 -0.171 0.000 1.361 218 M HN 0.675 nan 8.290 nan 0.000 0.408 219 H N -0.153 118.952 119.070 0.058 0.000 2.317 219 H HA 0.040 4.597 4.556 0.002 0.000 0.304 219 H C 2.000 177.403 175.328 0.124 0.000 1.067 219 H CA 1.956 58.034 56.048 0.050 0.000 1.352 219 H CB -0.685 29.072 29.762 -0.008 0.000 1.398 219 H HN 0.276 nan 8.280 nan 0.000 0.510 220 G N -0.088 108.799 108.800 0.144 0.000 2.442 220 G HA2 -0.241 3.720 3.960 0.002 0.000 0.219 220 G HA3 -0.241 3.720 3.960 0.002 0.000 0.219 220 G C 1.843 176.705 174.900 -0.063 0.000 1.141 220 G CA 1.090 46.183 45.100 -0.011 0.000 0.763 220 G HN 0.609 nan 8.290 nan 0.000 0.554 221 A N -0.190 122.627 122.820 -0.004 0.000 1.930 221 A HA 0.128 4.449 4.320 0.002 0.000 0.215 221 A C 2.490 180.036 177.584 -0.063 0.000 1.176 221 A CA 2.132 54.143 52.037 -0.042 0.000 0.632 221 A CB -0.674 18.318 19.000 -0.013 0.000 0.819 221 A HN 0.267 nan 8.150 nan 0.000 0.445 222 T N 0.894 115.456 114.554 0.014 0.000 2.595 222 T HA -0.136 4.215 4.350 0.002 0.000 0.264 222 T C 1.817 176.504 174.700 -0.022 0.000 1.058 222 T CA 1.647 63.762 62.100 0.025 0.000 1.166 222 T CB -0.350 68.675 68.868 0.262 0.000 0.863 222 T HN 0.284 nan 8.240 nan 0.000 0.415 223 I N 1.348 121.883 120.570 -0.058 0.000 2.185 223 I HA -0.157 4.014 4.170 0.002 0.000 0.246 223 I C 2.356 178.423 176.117 -0.083 0.000 1.088 223 I CA 1.475 62.725 61.300 -0.084 0.000 1.347 223 I CB -1.470 36.424 38.000 -0.176 0.000 1.041 223 I HN 0.291 nan 8.210 nan 0.000 0.415 224 L N 0.291 121.447 121.223 -0.112 0.000 2.141 224 L HA -0.110 4.231 4.340 0.002 0.000 0.209 224 L C 2.700 179.496 176.870 -0.123 0.000 1.094 224 L CA 1.074 55.835 54.840 -0.132 0.000 0.763 224 L CB -0.653 41.308 42.059 -0.164 0.000 0.908 224 L HN 0.180 nan 8.230 nan 0.000 0.437 225 A N 0.040 122.792 122.820 -0.113 0.000 2.015 225 A HA -0.089 4.232 4.320 0.002 0.000 0.219 225 A C 1.874 179.438 177.584 -0.035 0.000 1.163 225 A CA 1.566 53.536 52.037 -0.110 0.000 0.646 225 A CB -0.483 18.410 19.000 -0.178 0.000 0.806 225 A HN 0.329 nan 8.150 nan 0.000 0.448 226 V N -1.757 118.170 119.914 0.021 0.000 3.177 226 V HA 0.196 4.317 4.120 0.002 0.000 0.342 226 V C 1.227 177.382 176.094 0.100 0.000 1.379 226 V CA 0.823 63.234 62.300 0.185 0.000 1.191 226 V CB -0.643 31.318 31.823 0.229 0.000 1.167 226 V HN 0.519 nan 8.190 nan 0.000 0.471 227 S N 1.341 117.016 115.700 -0.041 0.000 2.558 227 S HA -0.040 4.431 4.470 0.002 0.000 0.217 227 S C 1.804 176.324 174.600 -0.133 0.000 0.975 227 S CA 0.481 58.647 58.200 -0.056 0.000 0.912 227 S CB -0.517 62.642 63.200 -0.068 0.000 0.776 227 S HN 0.850 nan 8.310 nan 0.000 0.526 228 R N 0.344 120.660 120.500 -0.307 0.000 2.339 228 R HA 0.125 4.466 4.340 0.002 0.000 0.199 228 R C -0.106 175.790 176.300 -0.674 0.000 1.018 228 R CA 0.672 56.478 56.100 -0.489 0.000 1.036 228 R CB -0.682 29.234 30.300 -0.640 0.000 0.899 228 R HN 0.555 nan 8.270 nan 0.000 0.473 229 F N -0.099 119.849 119.950 -0.004 0.000 2.814 229 F HA 0.467 4.995 4.527 0.002 0.000 0.326 229 F C 0.984 176.783 175.800 -0.002 0.000 1.159 229 F CA -0.359 57.640 58.000 -0.001 0.000 1.234 229 F CB 1.337 40.335 39.000 -0.004 0.000 1.016 229 F HN 0.139 nan 8.300 nan 0.000 0.510 230 G N 0.574 109.423 108.800 0.081 0.000 2.147 230 G HA2 -0.278 3.683 3.960 0.002 0.000 0.244 230 G HA3 -0.278 3.683 3.960 0.002 0.000 0.244 230 G C 1.385 176.324 174.900 0.065 0.000 1.005 230 G CA 0.180 45.316 45.100 0.060 0.000 0.713 230 G HN 0.716 nan 8.290 nan 0.000 0.515 231 G N 1.123 109.972 108.800 0.083 0.000 2.475 231 G HA2 -0.138 3.823 3.960 0.002 0.000 0.220 231 G HA3 -0.138 3.823 3.960 0.002 0.000 0.220 231 G C 1.442 176.370 174.900 0.047 0.000 1.125 231 G CA 1.545 46.692 45.100 0.079 0.000 0.755 231 G HN 0.906 nan 8.290 nan 0.000 0.565 232 E N 0.851 121.061 120.200 0.017 0.000 2.516 232 E HA -0.055 4.296 4.350 0.002 0.000 0.199 232 E C 0.866 177.470 176.600 0.007 0.000 1.069 232 E CA 0.030 56.431 56.400 0.002 0.000 0.876 232 E CB -0.161 29.523 29.700 -0.027 0.000 0.843 232 E HN 0.325 nan 8.360 nan 0.000 0.530 233 R N 1.514 122.022 120.500 0.015 0.000 3.657 233 R HA 0.170 4.511 4.340 0.002 0.000 0.220 233 R C 0.726 177.032 176.300 0.010 0.000 1.548 233 R CA -0.070 56.033 56.100 0.005 0.000 1.465 233 R CB 0.234 30.539 30.300 0.009 0.000 1.330 233 R HN 0.226 nan 8.270 nan 0.000 0.707 234 E N 0.888 121.090 120.200 0.003 0.000 2.106 234 E HA -0.169 4.182 4.350 0.002 0.000 0.192 234 E C 1.412 178.002 176.600 -0.017 0.000 0.984 234 E CA 0.991 57.401 56.400 0.017 0.000 0.806 234 E CB 0.114 29.824 29.700 0.016 0.000 0.750 234 E HN 0.465 nan 8.360 nan 0.000 0.458 235 L N 0.795 121.988 121.223 -0.050 0.000 2.046 235 L HA -0.190 4.151 4.340 0.002 0.000 0.208 235 L C 2.501 179.355 176.870 -0.026 0.000 1.077 235 L CA 1.074 55.881 54.840 -0.054 0.000 0.747 235 L CB -0.233 41.786 42.059 -0.067 0.000 0.896 235 L HN 0.083 nan 8.230 nan 0.000 0.432 236 E N -0.297 119.894 120.200 -0.015 0.000 2.268 236 E HA -0.186 4.165 4.350 0.002 0.000 0.195 236 E C 2.214 178.818 176.600 0.007 0.000 0.995 236 E CA 0.835 57.233 56.400 -0.004 0.000 0.836 236 E CB 0.109 29.809 29.700 -0.000 0.000 0.763 236 E HN 0.338 nan 8.360 nan 0.000 0.491 237 Q N -0.440 119.369 119.800 0.016 0.000 2.245 237 Q HA -0.037 4.304 4.340 0.002 0.000 0.201 237 Q C 2.207 178.222 176.000 0.025 0.000 0.955 237 Q CA 0.719 56.538 55.803 0.028 0.000 0.870 237 Q CB 0.111 28.876 28.738 0.046 0.000 0.945 237 Q HN 0.430 nan 8.270 nan 0.000 0.461 238 I N 0.613 121.194 120.570 0.018 0.000 2.133 238 I HA -0.230 3.941 4.170 0.002 0.000 0.238 238 I C 2.314 178.436 176.117 0.008 0.000 1.074 238 I CA 1.127 62.436 61.300 0.015 0.000 1.342 238 I CB -0.402 37.598 38.000 0.000 0.000 1.053 238 I HN 0.040 nan 8.210 nan 0.000 0.404 239 A N -0.831 121.989 122.820 -0.000 0.000 2.070 239 A HA -0.197 4.124 4.320 0.002 0.000 0.220 239 A C 0.683 178.269 177.584 0.003 0.000 1.159 239 A CA 1.741 53.777 52.037 -0.001 0.000 0.656 239 A CB -0.211 18.785 19.000 -0.007 0.000 0.800 239 A HN 0.505 nan 8.150 nan 0.000 0.453 240 D N -1.781 118.623 120.400 0.007 0.000 2.881 240 D HA 0.092 4.733 4.640 0.002 0.000 0.238 240 D C -0.444 175.862 176.300 0.011 0.000 1.368 240 D CA -0.378 53.627 54.000 0.008 0.000 0.871 240 D CB -0.143 40.660 40.800 0.006 0.000 1.516 240 D HN 0.253 nan 8.370 nan 0.000 0.544 241 R N 1.057 121.564 120.500 0.011 0.000 2.523 241 R HA 0.367 4.708 4.340 0.002 0.000 0.281 241 R C 0.468 176.770 176.300 0.004 0.000 0.969 241 R CA 0.879 56.986 56.100 0.010 0.000 1.093 241 R CB 0.312 30.617 30.300 0.008 0.000 0.917 241 R HN 0.377 nan 8.270 nan 0.000 0.408 242 G N 0.456 109.258 108.800 0.003 0.000 2.932 242 G HA2 0.095 4.056 3.960 0.002 0.000 0.283 242 G HA3 0.095 4.056 3.960 0.002 0.000 0.283 242 G C 0.265 175.137 174.900 -0.047 0.000 1.336 242 G CA -0.362 44.734 45.100 -0.006 0.000 1.056 242 G HN 0.546 nan 8.290 nan 0.000 0.522 243 T N -0.661 113.840 114.554 -0.089 0.000 3.118 243 T HA 0.156 4.507 4.350 0.002 0.000 0.260 243 T C 2.233 176.740 174.700 -0.322 0.000 1.139 243 T CA 1.805 63.771 62.100 -0.222 0.000 1.085 243 T CB -0.464 68.216 68.868 -0.314 0.000 0.934 243 T HN 0.599 nan 8.240 nan 0.000 0.518 244 A N 1.080 123.820 122.820 -0.134 0.000 1.840 244 A HA 0.382 4.703 4.320 0.002 0.000 0.214 244 A C 2.715 180.289 177.584 -0.017 0.000 1.198 244 A CA 1.440 53.469 52.037 -0.013 0.000 0.608 244 A CB -1.376 17.709 19.000 0.142 0.000 0.839 244 A HN 0.578 nan 8.150 nan 0.000 0.443 245 A N -0.183 122.639 122.820 0.004 0.000 1.978 245 A HA -0.196 4.125 4.320 0.002 0.000 0.220 245 A C 1.892 179.464 177.584 -0.021 0.000 1.170 245 A CA 1.807 53.854 52.037 0.017 0.000 0.636 245 A CB -0.526 18.491 19.000 0.028 0.000 0.810 245 A HN 0.676 nan 8.150 nan 0.000 0.448 246 E N -0.659 119.499 120.200 -0.070 0.000 2.046 246 E HA -0.136 4.215 4.350 0.002 0.000 0.190 246 E C 2.303 178.813 176.600 -0.150 0.000 0.982 246 E CA 0.932 57.272 56.400 -0.099 0.000 0.800 246 E CB -0.150 29.485 29.700 -0.108 0.000 0.756 246 E HN 0.556 nan 8.360 nan 0.000 0.449 247 R N 0.671 121.054 120.500 -0.195 0.000 2.120 247 R HA -0.094 4.247 4.340 0.002 0.000 0.234 247 R C 2.260 178.476 176.300 -0.140 0.000 1.123 247 R CA 1.091 57.061 56.100 -0.218 0.000 0.975 247 R CB -0.234 29.907 30.300 -0.266 0.000 0.866 247 R HN 0.103 nan 8.270 nan 0.000 0.446 248 A N 1.273 124.063 122.820 -0.051 0.000 1.841 248 A HA -0.059 4.262 4.320 0.002 0.000 0.214 248 A C 2.405 180.053 177.584 0.107 0.000 1.195 248 A CA 1.435 53.503 52.037 0.052 0.000 0.611 248 A CB -0.975 18.087 19.000 0.103 0.000 0.835 248 A HN 0.349 nan 8.150 nan 0.000 0.443 249 A N -0.555 122.297 122.820 0.053 0.000 1.958 249 A HA -0.173 4.148 4.320 0.002 0.000 0.221 249 A C 2.146 179.695 177.584 -0.058 0.000 1.178 249 A CA 1.880 53.941 52.037 0.040 0.000 0.642 249 A CB -0.627 18.374 19.000 0.002 0.000 0.816 249 A HN 0.493 nan 8.150 nan 0.000 0.453 250 L N -2.662 118.415 121.223 -0.242 0.000 2.375 250 L HA 0.044 4.385 4.340 0.002 0.000 0.215 250 L C 2.258 178.676 176.870 -0.754 0.000 1.108 250 L CA 0.508 54.979 54.840 -0.615 0.000 0.830 250 L CB -0.247 41.298 42.059 -0.857 0.000 0.959 250 L HN 0.527 nan 8.230 nan 0.000 0.457 251 F N -0.245 119.360 119.950 -0.575 0.000 2.171 251 F HA -0.240 4.288 4.527 0.002 0.000 0.300 251 F C 1.783 177.252 175.800 -0.551 0.000 1.090 251 F CA 1.689 59.326 58.000 -0.606 0.000 1.293 251 F CB -0.145 38.444 39.000 -0.684 0.000 1.013 251 F HN 0.011 nan 8.300 nan 0.000 0.486 252 W N 0.133 121.360 121.300 -0.121 0.000 2.523 252 W HA 0.097 4.759 4.660 0.002 0.000 0.278 252 W C 2.667 179.076 176.519 -0.184 0.000 1.236 252 W CA 0.650 57.899 57.345 -0.160 0.000 1.306 252 W CB -0.348 29.027 29.460 -0.143 0.000 1.101 252 W HN -0.154 nan 8.180 nan 0.000 0.577 253 R N -0.216 120.292 120.500 0.014 0.000 2.075 253 R HA -0.164 4.177 4.340 0.002 0.000 0.232 253 R C 1.853 178.265 176.300 0.187 0.000 1.126 253 R CA 2.050 58.202 56.100 0.087 0.000 0.963 253 R CB -0.657 29.666 30.300 0.038 0.000 0.858 253 R HN 0.074 nan 8.270 nan 0.000 0.435 254 W N 0.278 121.505 121.300 -0.121 0.000 2.436 254 W HA 0.071 4.732 4.660 0.002 0.000 0.284 254 W C 2.105 178.493 176.519 -0.219 0.000 1.225 254 W CA 0.870 58.116 57.345 -0.165 0.000 1.271 254 W CB -1.103 28.235 29.460 -0.204 0.000 1.114 254 W HN 0.114 nan 8.180 nan 0.000 0.559 255 T N 0.797 115.263 114.554 -0.146 0.000 2.732 255 T HA -0.135 4.216 4.350 0.002 0.000 0.261 255 T C 1.665 176.383 174.700 0.030 0.000 1.040 255 T CA 2.041 64.022 62.100 -0.199 0.000 1.145 255 T CB -0.235 68.311 68.868 -0.537 0.000 0.866 255 T HN 0.244 nan 8.240 nan 0.000 0.427 256 M N -1.377 118.305 119.600 0.137 0.000 2.327 256 M HA 0.559 5.040 4.480 0.002 0.000 0.365 256 M C 1.112 177.615 176.300 0.339 0.000 0.992 256 M CA 0.328 55.770 55.300 0.237 0.000 0.985 256 M CB 1.130 33.917 32.600 0.311 0.000 1.673 256 M HN 0.267 nan 8.290 nan 0.000 0.586 257 G N 2.062 111.032 108.800 0.283 0.000 2.176 257 G HA2 -0.266 3.695 3.960 0.002 0.000 0.253 257 G HA3 -0.266 3.695 3.960 0.002 0.000 0.253 257 G C -0.255 174.908 174.900 0.438 0.000 0.979 257 G CA 0.613 45.894 45.100 0.302 0.000 0.641 257 G HN 0.905 nan 8.290 nan 0.000 0.530 258 F N -0.222 119.785 119.950 0.095 0.000 2.745 258 F HA 0.784 5.312 4.527 0.002 0.000 0.316 258 F C -0.687 175.172 175.800 0.100 0.000 1.155 258 F CA -1.750 56.303 58.000 0.089 0.000 0.937 258 F CB 0.580 39.623 39.000 0.072 0.000 1.361 258 F HN 0.367 nan 8.300 nan 0.000 0.472 259 N N 0.714 119.362 118.700 -0.087 0.000 3.243 259 N HA 0.758 5.499 4.740 0.002 0.000 0.280 259 N C -1.750 173.718 175.510 -0.069 0.000 1.545 259 N CA -0.874 52.056 53.050 -0.199 0.000 0.854 259 N CB 1.961 40.439 38.487 -0.014 0.000 1.612 259 N HN 1.034 nan 8.380 nan 0.000 0.577 260 A N -0.044 122.741 122.820 -0.059 0.000 2.373 260 A HA 0.810 5.131 4.320 0.002 0.000 0.291 260 A C -0.076 177.550 177.584 0.070 0.000 1.171 260 A CA -0.319 51.752 52.037 0.057 0.000 0.922 260 A CB 0.838 19.834 19.000 -0.007 0.000 1.400 260 A HN 0.795 nan 8.150 nan 0.000 0.474 261 T N -3.150 111.459 114.554 0.092 0.000 2.940 261 T HA 0.446 4.797 4.350 0.002 0.000 0.288 261 T C 0.805 175.556 174.700 0.086 0.000 1.045 261 T CA -0.157 61.990 62.100 0.078 0.000 1.018 261 T CB 1.026 69.939 68.868 0.075 0.000 1.151 261 T HN 0.481 nan 8.240 nan 0.000 0.529 262 M N 0.263 119.923 119.600 0.099 0.000 2.279 262 M HA 0.023 4.504 4.480 0.002 0.000 0.264 262 M C 2.027 178.460 176.300 0.222 0.000 1.062 262 M CA 1.625 57.017 55.300 0.152 0.000 1.099 262 M CB -0.702 31.975 32.600 0.128 0.000 1.394 262 M HN 0.868 nan 8.290 nan 0.000 0.426 263 E N -1.215 119.072 120.200 0.146 0.000 2.042 263 E HA -0.047 4.304 4.350 0.002 0.000 0.189 263 E C 1.991 178.676 176.600 0.142 0.000 0.974 263 E CA 0.882 57.368 56.400 0.142 0.000 0.806 263 E CB -0.462 29.274 29.700 0.060 0.000 0.769 263 E HN 0.569 nan 8.360 nan 0.000 0.451 264 G N 2.195 111.052 108.800 0.095 0.000 2.574 264 G HA2 -0.322 3.639 3.960 0.002 0.000 0.220 264 G HA3 -0.322 3.639 3.960 0.002 0.000 0.220 264 G C 1.539 176.506 174.900 0.111 0.000 1.173 264 G CA 1.134 46.282 45.100 0.082 0.000 0.772 264 G HN 0.324 nan 8.290 nan 0.000 0.585 265 I N 1.205 121.811 120.570 0.060 0.000 2.236 265 I HA -0.227 3.944 4.170 0.002 0.000 0.249 265 I C 2.380 178.303 176.117 -0.324 0.000 1.102 265 I CA 1.393 62.607 61.300 -0.143 0.000 1.365 265 I CB -0.684 37.043 38.000 -0.455 0.000 1.051 265 I HN 0.359 nan 8.210 nan 0.000 0.420 266 H N -0.630 118.387 119.070 -0.088 0.000 2.462 266 H HA 0.062 4.619 4.556 0.002 0.000 0.292 266 H C 2.286 177.578 175.328 -0.061 0.000 1.049 266 H CA 1.045 57.031 56.048 -0.104 0.000 1.334 266 H CB -0.024 29.688 29.762 -0.084 0.000 1.404 266 H HN 0.312 nan 8.280 nan 0.000 0.544 267 R N -0.474 120.052 120.500 0.043 0.000 2.062 267 R HA -0.107 4.234 4.340 0.002 0.000 0.226 267 R C 1.681 178.024 176.300 0.071 0.000 1.125 267 R CA 1.169 57.288 56.100 0.032 0.000 0.966 267 R CB -0.529 29.773 30.300 0.004 0.000 0.861 267 R HN 0.344 nan 8.270 nan 0.000 0.433 268 W N 1.581 122.895 121.300 0.025 0.000 2.290 268 W HA -0.320 4.341 4.660 0.002 0.000 0.323 268 W C 2.701 179.206 176.519 -0.024 0.000 1.260 268 W CA 1.641 58.992 57.345 0.010 0.000 1.266 268 W CB -0.523 28.881 29.460 -0.094 0.000 1.149 268 W HN 0.229 nan 8.180 nan 0.000 0.482 269 A N -0.003 122.875 122.820 0.097 0.000 1.865 269 A HA -0.252 4.069 4.320 0.002 0.000 0.217 269 A C 1.946 179.513 177.584 -0.028 0.000 1.191 269 A CA 1.925 53.931 52.037 -0.051 0.000 0.623 269 A CB -1.172 17.682 19.000 -0.243 0.000 0.826 269 A HN 0.407 nan 8.150 nan 0.000 0.444 270 I N -2.080 118.453 120.570 -0.062 0.000 2.361 270 I HA -0.268 3.903 4.170 0.002 0.000 0.251 270 I C 2.240 178.250 176.117 -0.178 0.000 1.133 270 I CA 1.485 62.695 61.300 -0.150 0.000 1.413 270 I CB -0.119 37.747 38.000 -0.223 0.000 1.073 270 I HN 0.630 nan 8.210 nan 0.000 0.424 271 W N -0.064 121.226 121.300 -0.017 0.000 2.441 271 W HA -0.189 4.472 4.660 0.001 0.000 0.302 271 W C 2.468 178.929 176.519 -0.097 0.000 1.191 271 W CA 0.672 57.979 57.345 -0.063 0.000 1.327 271 W CB -0.436 28.969 29.460 -0.093 0.000 1.128 271 W HN 0.112 nan 8.180 nan 0.000 0.522 272 M N 1.479 121.214 119.600 0.225 0.000 2.151 272 M HA -0.289 4.192 4.480 0.002 0.000 0.256 272 M C 2.125 178.485 176.300 0.100 0.000 1.072 272 M CA 2.671 58.088 55.300 0.195 0.000 1.090 272 M CB -1.171 31.570 32.600 0.236 0.000 1.294 272 M HN 0.002 nan 8.290 nan 0.000 0.415 273 A N -0.886 121.986 122.820 0.085 0.000 1.865 273 A HA -0.135 4.186 4.320 0.002 0.000 0.217 273 A C 2.196 179.808 177.584 0.047 0.000 1.191 273 A CA 2.773 54.855 52.037 0.075 0.000 0.623 273 A CB -1.729 17.303 19.000 0.055 0.000 0.826 273 A HN 0.832 nan 8.150 nan 0.000 0.444 274 V N -2.090 117.830 119.914 0.009 0.000 2.970 274 V HA 0.001 4.122 4.120 0.002 0.000 0.260 274 V C 1.985 178.099 176.094 0.034 0.000 1.100 274 V CA 1.659 63.972 62.300 0.021 0.000 1.122 274 V CB -0.668 31.125 31.823 -0.051 0.000 0.721 274 V HN 0.412 nan 8.190 nan 0.000 0.483 275 L N -0.467 120.709 121.223 -0.078 0.000 2.313 275 L HA -0.002 4.339 4.340 0.002 0.000 0.214 275 L C 2.591 179.408 176.870 -0.088 0.000 1.119 275 L CA 0.719 55.404 54.840 -0.259 0.000 0.809 275 L CB -0.372 41.078 42.059 -1.014 0.000 0.933 275 L HN 0.228 nan 8.230 nan 0.000 0.449 276 V N 0.282 120.224 119.914 0.047 0.000 2.231 276 V HA -0.354 3.767 4.120 0.002 0.000 0.248 276 V C 2.577 178.772 176.094 0.168 0.000 1.054 276 V CA 2.700 65.114 62.300 0.190 0.000 1.015 276 V CB -0.878 31.050 31.823 0.175 0.000 0.638 276 V HN 0.683 nan 8.190 nan 0.000 0.444 277 T N -2.667 111.981 114.554 0.156 0.000 3.113 277 T HA 0.045 4.396 4.350 0.002 0.000 0.256 277 T C 1.624 176.497 174.700 0.289 0.000 1.131 277 T CA 0.697 62.908 62.100 0.184 0.000 1.074 277 T CB 0.075 69.049 68.868 0.178 0.000 0.944 277 T HN 0.240 nan 8.240 nan 0.000 0.516 278 L N 2.511 123.888 121.223 0.257 0.000 2.034 278 L HA 0.037 4.378 4.340 0.002 0.000 0.203 278 L C 2.981 180.058 176.870 0.346 0.000 1.074 278 L CA 2.160 57.189 54.840 0.315 0.000 0.748 278 L CB -0.942 41.206 42.059 0.148 0.000 0.905 278 L HN 0.455 nan 8.230 nan 0.000 0.439 279 T N -3.292 111.426 114.554 0.274 0.000 2.759 279 T HA -0.133 4.218 4.350 0.002 0.000 0.269 279 T C 1.940 176.777 174.700 0.229 0.000 1.042 279 T CA 1.056 63.354 62.100 0.330 0.000 1.140 279 T CB -1.501 67.648 68.868 0.468 0.000 0.864 279 T HN 0.399 nan 8.240 nan 0.000 0.455 280 G N 1.457 110.371 108.800 0.191 0.000 2.459 280 G HA2 0.034 3.995 3.960 0.002 0.000 0.217 280 G HA3 0.034 3.995 3.960 0.002 0.000 0.217 280 G C 1.780 176.682 174.900 0.003 0.000 1.183 280 G CA 0.687 45.844 45.100 0.095 0.000 0.776 280 G HN 0.679 nan 8.290 nan 0.000 0.552 281 G N 0.612 109.397 108.800 -0.024 0.000 2.448 281 G HA2 -0.108 3.853 3.960 0.002 0.000 0.219 281 G HA3 -0.108 3.853 3.960 0.002 0.000 0.219 281 G C 1.728 176.451 174.900 -0.294 0.000 1.127 281 G CA 0.764 45.604 45.100 -0.434 0.000 0.766 281 G HN 0.470 nan 8.290 nan 0.000 0.552 282 I N 0.950 121.526 120.570 0.010 0.000 2.193 282 I HA -0.002 4.169 4.170 0.002 0.000 0.240 282 I C 3.145 179.101 176.117 -0.269 0.000 1.084 282 I CA 0.848 62.062 61.300 -0.143 0.000 1.365 282 I CB -0.707 37.035 38.000 -0.431 0.000 1.064 282 I HN 0.209 nan 8.210 nan 0.000 0.410 283 G N 2.038 110.694 108.800 -0.240 0.000 2.556 283 G HA2 -0.272 3.689 3.960 0.002 0.000 0.220 283 G HA3 -0.272 3.689 3.960 0.002 0.000 0.220 283 G C 1.554 176.451 174.900 -0.005 0.000 1.156 283 G CA 0.967 46.029 45.100 -0.063 0.000 0.766 283 G HN 0.212 nan 8.290 nan 0.000 0.583 284 I N 0.320 120.871 120.570 -0.032 0.000 2.252 284 I HA -0.030 4.141 4.170 0.002 0.000 0.245 284 I C 2.623 178.762 176.117 0.035 0.000 1.102 284 I CA 0.655 61.951 61.300 -0.007 0.000 1.385 284 I CB -1.105 36.820 38.000 -0.125 0.000 1.064 284 I HN 0.185 nan 8.210 nan 0.000 0.414 285 L N 0.561 121.752 121.223 -0.053 0.000 2.156 285 L HA -0.062 4.279 4.340 0.002 0.000 0.208 285 L C 2.244 179.140 176.870 0.042 0.000 1.095 285 L CA 1.528 56.346 54.840 -0.038 0.000 0.770 285 L CB -0.405 41.595 42.059 -0.098 0.000 0.914 285 L HN 0.088 nan 8.230 nan 0.000 0.439 286 L N -1.060 120.213 121.223 0.083 0.000 2.291 286 L HA -0.025 4.316 4.340 0.002 0.000 0.214 286 L C 0.853 177.813 176.870 0.150 0.000 1.120 286 L CA 0.084 55.008 54.840 0.140 0.000 0.799 286 L CB -0.396 41.808 42.059 0.242 0.000 0.925 286 L HN 0.080 nan 8.230 nan 0.000 0.446 287 S N 0.326 116.143 115.700 0.194 0.000 2.414 287 S HA 0.373 4.844 4.470 0.002 0.000 0.290 287 S C 1.021 175.560 174.600 -0.102 0.000 1.160 287 S CA 0.495 58.730 58.200 0.059 0.000 1.069 287 S CB 0.689 63.927 63.200 0.063 0.000 1.012 287 S HN 0.564 nan 8.310 nan 0.000 0.510 288 G N 2.887 111.671 108.800 -0.026 0.000 2.194 288 G HA2 -0.312 3.649 3.960 0.002 0.000 0.236 288 G HA3 -0.312 3.649 3.960 0.002 0.000 0.236 288 G C 0.877 175.791 174.900 0.023 0.000 0.987 288 G CA 0.624 45.775 45.100 0.084 0.000 0.635 288 G HN 0.798 nan 8.290 nan 0.000 0.520 289 T N -3.301 111.258 114.554 0.009 0.000 3.042 289 T HA 0.470 4.821 4.350 0.002 0.000 0.245 289 T C 1.908 176.604 174.700 -0.008 0.000 1.029 289 T CA 1.707 63.809 62.100 0.004 0.000 1.120 289 T CB 0.472 69.350 68.868 0.017 0.000 0.917 289 T HN 0.619 nan 8.240 nan 0.000 0.467 290 V N 0.280 120.180 119.914 -0.023 0.000 3.350 290 V HA 0.405 4.526 4.120 0.002 0.000 0.246 290 V C 0.028 176.067 176.094 -0.092 0.000 1.363 290 V CA -0.115 62.168 62.300 -0.029 0.000 1.162 290 V CB 1.404 33.231 31.823 0.007 0.000 0.947 290 V HN 0.333 nan 8.190 nan 0.000 0.454 291 V N 0.758 120.544 119.914 -0.213 0.000 2.487 291 V HA 0.472 4.593 4.120 0.002 0.000 0.298 291 V C 0.218 176.112 176.094 -0.334 0.000 1.028 291 V CA -0.363 61.676 62.300 -0.435 0.000 0.860 291 V CB 1.826 32.931 31.823 -1.197 0.000 0.991 291 V HN 0.208 nan 8.190 nan 0.000 0.427 292 D N 2.164 122.428 120.400 -0.226 0.000 2.327 292 D HA 0.077 4.718 4.640 0.002 0.000 0.205 292 D C 0.430 176.649 176.300 -0.134 0.000 0.989 292 D CA 0.850 54.778 54.000 -0.121 0.000 0.873 292 D CB 0.547 41.290 40.800 -0.096 0.000 0.955 292 D HN 0.518 nan 8.370 nan 0.000 0.515 293 N N -0.473 118.094 118.700 -0.222 0.000 2.519 293 N HA 0.003 4.744 4.740 0.002 0.000 0.291 293 N C -0.196 175.249 175.510 -0.108 0.000 1.107 293 N CA -0.367 52.626 53.050 -0.095 0.000 0.904 293 N CB 0.620 39.105 38.487 -0.004 0.000 1.500 293 N HN -0.143 nan 8.380 nan 0.000 0.510 294 W N 1.989 123.411 121.300 0.203 0.000 2.436 294 W HA -0.070 4.591 4.660 0.001 0.000 0.284 294 W C 1.827 178.536 176.519 0.316 0.000 1.225 294 W CA 0.465 57.970 57.345 0.265 0.000 1.271 294 W CB -0.304 29.300 29.460 0.241 0.000 1.114 294 W HN 0.676 nan 8.180 nan 0.000 0.559 295 Y N 0.915 121.309 120.300 0.157 0.000 2.097 295 Y HA -0.309 4.242 4.550 0.002 0.000 0.282 295 Y C 2.242 178.080 175.900 -0.103 0.000 1.152 295 Y CA 2.043 59.953 58.100 -0.317 0.000 1.136 295 Y CB -0.989 37.254 38.460 -0.362 0.000 0.975 295 Y HN -0.220 nan 8.280 nan 0.000 0.498 296 V N -0.473 119.426 119.914 -0.025 0.000 2.214 296 V HA -0.356 3.765 4.120 0.002 0.000 0.245 296 V C 2.142 178.210 176.094 -0.044 0.000 1.047 296 V CA 2.210 64.450 62.300 -0.100 0.000 0.998 296 V CB -1.340 30.487 31.823 0.007 0.000 0.633 296 V HN 0.740 nan 8.190 nan 0.000 0.446 297 W N 1.344 122.581 121.300 -0.105 0.000 2.308 297 W HA -0.208 4.453 4.660 0.001 0.000 0.301 297 W C 2.164 178.719 176.519 0.059 0.000 1.220 297 W CA 1.777 59.124 57.345 0.004 0.000 1.240 297 W CB -0.580 28.830 29.460 -0.083 0.000 1.142 297 W HN 0.302 nan 8.180 nan 0.000 0.521 298 G N -0.333 108.709 108.800 0.403 0.000 2.498 298 G HA2 -0.244 3.717 3.960 0.002 0.000 0.219 298 G HA3 -0.244 3.717 3.960 0.002 0.000 0.219 298 G C 1.412 176.232 174.900 -0.133 0.000 1.119 298 G CA 0.944 46.193 45.100 0.248 0.000 0.766 298 G HN 0.332 nan 8.290 nan 0.000 0.552 299 Q N 0.266 119.897 119.800 -0.281 0.000 2.304 299 Q HA 0.012 4.353 4.340 0.002 0.000 0.204 299 Q C 2.361 178.158 176.000 -0.339 0.000 0.936 299 Q CA 1.104 56.706 55.803 -0.334 0.000 0.878 299 Q CB -0.333 28.160 28.738 -0.409 0.000 0.983 299 Q HN 0.748 nan 8.270 nan 0.000 0.516 300 N N -0.062 118.369 118.700 -0.449 0.000 2.300 300 N HA -0.076 4.665 4.740 0.002 0.000 0.179 300 N C 0.180 175.227 175.510 -0.772 0.000 1.016 300 N CA 0.609 53.291 53.050 -0.614 0.000 0.876 300 N CB 0.042 38.066 38.487 -0.772 0.000 0.979 300 N HN 0.153 nan 8.380 nan 0.000 0.432 301 H N 0.099 118.834 119.070 -0.558 0.000 2.572 301 H HA 0.532 5.089 4.556 0.002 0.000 0.248 301 H C 0.084 175.093 175.328 -0.531 0.000 1.397 301 H CA -0.390 55.246 56.048 -0.687 0.000 1.319 301 H CB 0.628 29.632 29.762 -1.264 0.000 1.452 301 H HN 0.269 nan 8.280 nan 0.000 0.535 302 G N 0.000 108.681 108.800 -0.199 0.000 5.446 302 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 302 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 302 G CA 0.000 45.045 45.100 -0.092 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925