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 1un9_1_B DATA FIRST_RESID 1 DATA SEQUENCE ASQFFFNQRT HLVSDVIDGA IIASPWNNLA RLESDPAIRI VVRRDLNKNN DATA SEQUENCE VAVISGGGSG HEPAHVGFIG KGMLTAAVCG DVFASPSVDA VLTAIQAVTG DATA SEQUENCE EAGCLLIVKN YTGDRLNFGL AAEKARRLGY NVEMLIVGDD ISLPDNKHPR DATA SEQUENCE GIAGTILVHK IAGYFAERGY NLATVLREAQ YAASNTFSLG VALSSCHLPQ DATA SEQUENCE ETDAAPRHHP GHAELGMGIH GEPGASVIDT QNSAQVVNLM VDKLLAALPE DATA SEQUENCE TGRLAVMINN LGGVSVAEMA IITRELASSP LHSRIDWLIG PASLVTALDM DATA SEQUENCE KGFSLTAIVL EESIEKALLT EVETSNWPTP VPPREITCVV SSHASARVEF DATA SEQUENCE QPSANALVAG IVELVTATLS DLETHLNALD AKVGDGDTGS TFAAAAREIA DATA SEQUENCE SLLHRQQLPL NNLATLFALI GERLTVVMGG SSGVLMSIFF TAAGQKLEQG DATA SEQUENCE ANVVEALNTG LAQMKFYGGA DEGDRTMIDA LQPALTSLLA QPKNLQAAFD DATA SEQUENCE AAQAGAERTC LSSKAXXXXX XXXXXXXXLG NMDPGAQALA MVFKALAESE 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 0.000 177.581 177.584 -0.004 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 1 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 2 S N 0.718 116.406 115.700 -0.020 0.000 3.341 2 S HA 0.828 5.298 4.470 0.000 0.000 0.326 2 S C -0.719 173.808 174.600 -0.121 0.000 1.178 2 S CA -0.381 57.804 58.200 -0.025 0.000 1.002 2 S CB 1.423 64.659 63.200 0.060 0.000 1.385 2 S HN 0.993 nan 8.310 nan 0.000 0.710 3 Q N -0.150 119.577 119.800 -0.122 0.000 4.082 3 Q HA 0.399 4.739 4.340 0.000 0.000 0.180 3 Q C -2.297 173.650 176.000 -0.088 0.000 0.863 3 Q CA 0.077 55.728 55.803 -0.254 0.000 0.772 3 Q CB 1.005 29.390 28.738 -0.588 0.000 1.527 3 Q HN 0.586 nan 8.270 nan 0.000 0.441 4 F N 0.480 120.339 119.950 -0.152 0.000 2.574 4 F HA 0.487 5.014 4.527 0.000 0.000 0.313 4 F C -1.160 174.662 175.800 0.036 0.000 1.130 4 F CA -0.595 57.415 58.000 0.016 0.000 0.936 4 F CB 1.294 40.448 39.000 0.257 0.000 1.219 4 F HN 0.143 nan 8.300 nan 0.000 0.445 5 F N 7.578 127.543 119.950 0.024 0.000 2.434 5 F HA 0.399 4.926 4.527 0.000 0.000 0.358 5 F C -0.458 175.545 175.800 0.339 0.000 1.136 5 F CA -0.335 57.707 58.000 0.070 0.000 1.157 5 F CB 0.313 39.277 39.000 -0.061 0.000 1.167 5 F HN 0.336 nan 8.300 nan 0.000 0.539 6 F N 2.081 122.242 119.950 0.352 0.000 2.725 6 F HA 0.409 4.936 4.527 0.000 0.000 0.309 6 F C -0.801 175.099 175.800 0.167 0.000 1.132 6 F CA -1.148 57.019 58.000 0.280 0.000 0.957 6 F CB 0.790 40.005 39.000 0.359 0.000 1.286 6 F HN 0.170 nan 8.300 nan 0.000 0.440 7 N N 0.260 119.105 118.700 0.242 0.000 2.219 7 N HA 0.144 4.884 4.740 0.000 0.000 0.238 7 N C -0.506 175.107 175.510 0.171 0.000 1.061 7 N CA 0.541 53.635 53.050 0.074 0.000 1.162 7 N CB 0.149 38.679 38.487 0.072 0.000 1.518 7 N HN 0.661 nan 8.380 nan 0.000 0.609 8 Q N 1.852 121.788 119.800 0.227 0.000 2.323 8 Q HA 0.069 4.409 4.340 0.000 0.000 0.257 8 Q C 0.527 176.737 176.000 0.349 0.000 1.022 8 Q CA -0.099 55.864 55.803 0.267 0.000 0.919 8 Q CB 1.533 30.439 28.738 0.280 0.000 1.220 8 Q HN 0.332 nan 8.270 nan 0.000 0.427 9 R N 2.731 123.451 120.500 0.367 0.000 2.134 9 R HA -0.214 4.126 4.340 0.000 0.000 0.248 9 R C 1.953 178.270 176.300 0.027 0.000 1.143 9 R CA 2.762 58.949 56.100 0.145 0.000 0.957 9 R CB -0.760 29.587 30.300 0.079 0.000 0.867 9 R HN 0.751 nan 8.270 nan 0.000 0.441 10 T N -2.428 112.158 114.554 0.054 0.000 3.007 10 T HA -0.099 4.251 4.350 0.000 0.000 0.270 10 T C 1.233 175.864 174.700 -0.115 0.000 1.107 10 T CA 1.256 63.324 62.100 -0.053 0.000 1.118 10 T CB -0.381 68.431 68.868 -0.093 0.000 0.889 10 T HN 0.443 nan 8.240 nan 0.000 0.506 11 H N -0.019 119.071 119.070 0.033 0.000 2.549 11 H HA 0.303 4.859 4.556 0.000 0.000 0.279 11 H C 1.850 177.201 175.328 0.038 0.000 1.018 11 H CA -0.311 55.759 56.048 0.036 0.000 1.175 11 H CB 0.303 30.096 29.762 0.051 0.000 1.485 11 H HN 0.194 nan 8.280 nan 0.000 0.543 12 L N 1.209 122.496 121.223 0.106 0.000 1.957 12 L HA -0.231 4.109 4.340 0.000 0.000 0.228 12 L C 2.210 179.107 176.870 0.045 0.000 1.086 12 L CA 1.680 56.551 54.840 0.052 0.000 0.796 12 L CB -1.004 40.986 42.059 -0.115 0.000 0.900 12 L HN 0.039 nan 8.230 nan 0.000 0.439 13 V N -0.135 119.776 119.914 -0.005 0.000 2.250 13 V HA -0.364 3.756 4.120 0.000 0.000 0.253 13 V C 2.960 179.076 176.094 0.036 0.000 1.065 13 V CA 2.217 64.519 62.300 0.004 0.000 1.039 13 V CB -1.173 30.640 31.823 -0.015 0.000 0.647 13 V HN 0.703 nan 8.190 nan 0.000 0.446 14 S N -0.041 115.687 115.700 0.046 0.000 2.359 14 S HA -0.299 4.171 4.470 0.000 0.000 0.222 14 S C 1.738 176.385 174.600 0.079 0.000 1.038 14 S CA 2.264 60.504 58.200 0.067 0.000 1.051 14 S CB -0.647 62.612 63.200 0.098 0.000 0.944 14 S HN 0.682 nan 8.310 nan 0.000 0.433 15 D N 0.552 121.014 120.400 0.102 0.000 2.172 15 D HA -0.104 4.536 4.640 0.000 0.000 0.196 15 D C 1.967 178.310 176.300 0.072 0.000 0.999 15 D CA 1.381 55.435 54.000 0.091 0.000 0.856 15 D CB -0.562 40.307 40.800 0.116 0.000 0.934 15 D HN 0.352 nan 8.370 nan 0.000 0.453 16 V N 0.857 120.814 119.914 0.072 0.000 2.427 16 V HA -0.183 3.937 4.120 0.000 0.000 0.248 16 V C 2.312 178.436 176.094 0.050 0.000 1.051 16 V CA 0.828 63.165 62.300 0.061 0.000 1.048 16 V CB -0.244 31.615 31.823 0.060 0.000 0.666 16 V HN 0.205 nan 8.190 nan 0.000 0.456 17 I N 0.198 120.798 120.570 0.051 0.000 2.179 17 I HA -0.182 3.988 4.170 0.000 0.000 0.242 17 I C 2.353 178.495 176.117 0.041 0.000 1.088 17 I CA 1.579 62.907 61.300 0.047 0.000 1.357 17 I CB -1.287 36.740 38.000 0.046 0.000 1.051 17 I HN 0.351 nan 8.210 nan 0.000 0.409 18 D N 1.160 121.585 120.400 0.042 0.000 2.108 18 D HA -0.176 4.464 4.640 0.000 0.000 0.190 18 D C 2.177 178.493 176.300 0.028 0.000 0.995 18 D CA 1.956 55.977 54.000 0.035 0.000 0.834 18 D CB -0.642 40.180 40.800 0.036 0.000 0.967 18 D HN 0.379 nan 8.370 nan 0.000 0.446 19 G N 0.620 109.436 108.800 0.028 0.000 2.462 19 G HA2 -0.168 3.792 3.960 0.000 0.000 0.220 19 G HA3 -0.168 3.792 3.960 0.000 0.000 0.220 19 G C 1.650 176.560 174.900 0.017 0.000 1.121 19 G CA 1.248 46.359 45.100 0.018 0.000 0.758 19 G HN 0.402 nan 8.290 nan 0.000 0.559 20 A N 0.436 123.270 122.820 0.024 0.000 1.929 20 A HA 0.169 4.489 4.320 0.000 0.000 0.216 20 A C 2.357 179.955 177.584 0.024 0.000 1.176 20 A CA 0.966 53.016 52.037 0.021 0.000 0.628 20 A CB -0.207 18.810 19.000 0.028 0.000 0.816 20 A HN 0.376 nan 8.150 nan 0.000 0.444 21 I N -0.092 120.495 120.570 0.028 0.000 2.193 21 I HA -0.187 3.983 4.170 0.000 0.000 0.240 21 I C 1.899 178.031 176.117 0.026 0.000 1.084 21 I CA 1.137 62.455 61.300 0.031 0.000 1.365 21 I CB -0.321 37.697 38.000 0.031 0.000 1.064 21 I HN 0.236 nan 8.210 nan 0.000 0.410 22 I N 1.071 121.652 120.570 0.018 0.000 2.908 22 I HA -0.244 3.926 4.170 0.000 0.000 0.271 22 I C 1.790 177.911 176.117 0.006 0.000 1.275 22 I CA 0.918 62.225 61.300 0.011 0.000 1.446 22 I CB -0.487 37.516 38.000 0.005 0.000 1.092 22 I HN 0.231 nan 8.210 nan 0.000 0.482 23 A N -0.354 122.472 122.820 0.010 0.000 2.545 23 A HA 0.169 4.489 4.320 0.000 0.000 0.263 23 A C 0.952 178.544 177.584 0.014 0.000 1.202 23 A CA -0.200 51.839 52.037 0.003 0.000 0.959 23 A CB 0.184 19.183 19.000 -0.002 0.000 1.124 23 A HN 0.193 nan 8.150 nan 0.000 0.543 24 S N 1.388 117.108 115.700 0.033 0.000 2.555 24 S HA 0.183 4.653 4.470 0.000 0.000 0.293 24 S C -1.119 173.514 174.600 0.055 0.000 1.248 24 S CA -0.668 57.574 58.200 0.069 0.000 1.096 24 S CB 0.568 63.824 63.200 0.092 0.000 0.881 24 S HN 0.254 nan 8.310 nan 0.000 0.498 25 P HA -0.004 nan 4.420 nan 0.000 0.216 25 P C 0.100 177.283 177.300 -0.193 0.000 1.153 25 P CA 1.121 64.149 63.100 -0.119 0.000 0.848 25 P CB 0.056 31.645 31.700 -0.185 0.000 0.787 26 W N -1.744 119.560 121.300 0.006 0.000 3.330 26 W HA 0.293 4.953 4.660 0.000 0.000 0.348 26 W C 0.493 177.015 176.519 0.006 0.000 1.205 26 W CA -0.304 57.045 57.345 0.008 0.000 1.841 26 W CB -1.510 27.957 29.460 0.011 0.000 1.084 26 W HN -0.070 nan 8.180 nan 0.000 0.665 27 N N 2.713 121.520 118.700 0.177 0.000 2.701 27 N HA -0.282 4.458 4.740 0.000 0.000 0.252 27 N C 0.441 176.024 175.510 0.121 0.000 1.002 27 N CA 1.418 54.536 53.050 0.113 0.000 0.758 27 N CB -1.375 37.155 38.487 0.073 0.000 0.937 27 N HN 0.445 nan 8.380 nan 0.000 0.538 28 N N -0.775 118.012 118.700 0.145 0.000 2.214 28 N HA 0.085 4.825 4.740 0.000 0.000 0.214 28 N C -0.040 175.504 175.510 0.057 0.000 1.132 28 N CA -0.078 53.028 53.050 0.093 0.000 0.856 28 N CB 0.060 38.594 38.487 0.078 0.000 1.020 28 N HN 0.355 nan 8.380 nan 0.000 0.509 29 L N 0.735 121.994 121.223 0.060 0.000 2.325 29 L HA 0.832 5.172 4.340 0.000 0.000 0.278 29 L C -0.222 176.670 176.870 0.037 0.000 1.023 29 L CA -0.985 53.881 54.840 0.044 0.000 0.811 29 L CB 1.842 43.929 42.059 0.047 0.000 1.249 29 L HN 0.085 nan 8.230 nan 0.000 0.431 30 A N 2.554 125.392 122.820 0.031 0.000 2.517 30 A HA 0.618 4.938 4.320 0.000 0.000 0.297 30 A C -0.989 176.609 177.584 0.024 0.000 1.050 30 A CA -0.766 51.287 52.037 0.027 0.000 0.694 30 A CB 1.348 20.363 19.000 0.024 0.000 1.277 30 A HN 0.718 nan 8.150 nan 0.000 0.400 31 R N 0.622 121.136 120.500 0.024 0.000 2.438 31 R HA 0.343 4.683 4.340 0.000 0.000 0.287 31 R C -0.547 175.762 176.300 0.016 0.000 1.077 31 R CA -0.549 55.564 56.100 0.022 0.000 1.034 31 R CB 0.813 31.128 30.300 0.023 0.000 0.993 31 R HN 0.578 nan 8.270 nan 0.000 0.459 32 L N 2.783 124.013 121.223 0.012 0.000 2.278 32 L HA 0.111 4.451 4.340 0.000 0.000 0.287 32 L C 0.275 177.148 176.870 0.004 0.000 1.072 32 L CA 0.184 55.028 54.840 0.006 0.000 0.819 32 L CB 0.855 42.914 42.059 0.000 0.000 1.176 32 L HN 0.535 nan 8.230 nan 0.000 0.435 33 E N 4.071 124.274 120.200 0.005 0.000 2.529 33 E HA 0.233 4.583 4.350 0.000 0.000 0.259 33 E C -0.632 175.967 176.600 -0.001 0.000 0.966 33 E CA 0.509 56.912 56.400 0.005 0.000 0.937 33 E CB 0.398 30.101 29.700 0.006 0.000 0.923 33 E HN 0.767 nan 8.360 nan 0.000 0.468 34 S N 3.212 118.911 115.700 -0.002 0.000 2.683 34 S HA 0.006 4.476 4.470 0.000 0.000 0.264 34 S C -1.600 172.995 174.600 -0.009 0.000 1.066 34 S CA -0.764 57.431 58.200 -0.008 0.000 0.846 34 S CB 0.776 63.966 63.200 -0.015 0.000 1.114 34 S HN 0.722 nan 8.310 nan 0.000 0.476 35 D N 1.118 121.510 120.400 -0.014 0.000 2.478 35 D HA 0.149 4.789 4.640 0.000 0.000 0.234 35 D C -1.546 174.743 176.300 -0.018 0.000 1.154 35 D CA -0.766 53.224 54.000 -0.016 0.000 0.874 35 D CB 1.095 41.882 40.800 -0.021 0.000 1.198 35 D HN 0.226 nan 8.370 nan 0.000 0.455 36 P HA -0.056 nan 4.420 nan 0.000 0.219 36 P C 0.464 177.739 177.300 -0.041 0.000 1.146 36 P CA 1.225 64.309 63.100 -0.027 0.000 0.808 36 P CB 0.136 31.814 31.700 -0.035 0.000 0.779 37 A N -1.320 121.475 122.820 -0.042 0.000 2.259 37 A HA 0.104 4.424 4.320 0.000 0.000 0.208 37 A C 0.825 178.384 177.584 -0.042 0.000 1.201 37 A CA 0.354 52.363 52.037 -0.047 0.000 0.824 37 A CB -0.788 18.185 19.000 -0.045 0.000 0.838 37 A HN 0.146 nan 8.150 nan 0.000 0.485 38 I N 0.661 121.210 120.570 -0.036 0.000 2.448 38 I HA 0.276 4.446 4.170 0.000 0.000 0.281 38 I C -0.791 175.312 176.117 -0.023 0.000 1.027 38 I CA -0.611 60.667 61.300 -0.036 0.000 1.111 38 I CB 1.576 39.552 38.000 -0.040 0.000 1.236 38 I HN 0.135 nan 8.210 nan 0.000 0.452 39 R N 7.235 127.724 120.500 -0.017 0.000 2.247 39 R HA 0.661 5.001 4.340 0.000 0.000 0.329 39 R C -0.901 175.404 176.300 0.008 0.000 1.014 39 R CA -0.181 55.919 56.100 -0.000 0.000 0.907 39 R CB 0.996 31.301 30.300 0.007 0.000 1.146 39 R HN 0.509 nan 8.270 nan 0.000 0.499 40 I N 2.188 122.762 120.570 0.007 0.000 2.569 40 I HA 0.463 4.633 4.170 0.000 0.000 0.296 40 I C -0.517 175.612 176.117 0.021 0.000 1.028 40 I CA -1.410 59.898 61.300 0.012 0.000 1.082 40 I CB 2.337 40.334 38.000 -0.005 0.000 1.264 40 I HN 0.171 nan 8.210 nan 0.000 0.429 41 V N 5.856 125.789 119.914 0.032 0.000 2.604 41 V HA 0.601 4.721 4.120 0.000 0.000 0.305 41 V C -0.420 175.691 176.094 0.028 0.000 1.043 41 V CA -0.621 61.699 62.300 0.033 0.000 0.888 41 V CB 2.317 34.167 31.823 0.045 0.000 0.995 41 V HN 0.540 nan 8.190 nan 0.000 0.429 42 V N 2.662 122.589 119.914 0.022 0.000 2.925 42 V HA 0.699 4.819 4.120 0.000 0.000 0.311 42 V C -0.286 175.816 176.094 0.013 0.000 1.104 42 V CA -1.252 61.057 62.300 0.015 0.000 0.954 42 V CB 1.966 33.795 31.823 0.010 0.000 1.022 42 V HN 0.962 nan 8.190 nan 0.000 0.427 43 R N 2.576 123.080 120.500 0.006 0.000 2.537 43 R HA 0.390 4.730 4.340 0.000 0.000 0.280 43 R C 0.661 176.964 176.300 0.005 0.000 1.058 43 R CA -0.414 55.686 56.100 0.000 0.000 1.057 43 R CB 0.811 31.099 30.300 -0.019 0.000 0.973 43 R HN 0.819 nan 8.270 nan 0.000 0.438 44 R N 0.898 121.405 120.500 0.011 0.000 2.148 44 R HA -0.094 4.246 4.340 0.000 0.000 0.227 44 R C 0.045 176.351 176.300 0.010 0.000 1.103 44 R CA 1.555 57.664 56.100 0.015 0.000 0.983 44 R CB 0.024 30.339 30.300 0.025 0.000 0.874 44 R HN 0.801 nan 8.270 nan 0.000 0.451 45 D N 1.221 121.622 120.400 0.002 0.000 2.896 45 D HA -0.009 4.631 4.640 0.000 0.000 0.240 45 D C -0.192 176.103 176.300 -0.009 0.000 1.193 45 D CA -0.275 53.723 54.000 -0.004 0.000 0.983 45 D CB -0.039 40.753 40.800 -0.013 0.000 1.074 45 D HN -0.042 nan 8.370 nan 0.000 0.496 46 L N 1.579 122.801 121.223 -0.001 0.000 2.462 46 L HA 0.180 4.520 4.340 0.000 0.000 0.272 46 L C -0.139 176.732 176.870 0.001 0.000 1.166 46 L CA 0.212 55.052 54.840 0.001 0.000 0.880 46 L CB 0.548 42.611 42.059 0.008 0.000 1.142 46 L HN 0.089 nan 8.230 nan 0.000 0.473 47 N N 3.907 122.607 118.700 -0.000 0.000 2.851 47 N HA 0.195 4.935 4.740 0.000 0.000 0.248 47 N C 0.485 176.001 175.510 0.010 0.000 1.221 47 N CA -0.256 52.794 53.050 0.001 0.000 0.847 47 N CB 0.515 38.997 38.487 -0.008 0.000 1.150 47 N HN 0.604 nan 8.380 nan 0.000 0.507 48 K N 0.564 120.974 120.400 0.017 0.000 2.160 48 K HA -0.129 4.191 4.320 0.000 0.000 0.206 48 K C 1.047 177.662 176.600 0.026 0.000 1.047 48 K CA 0.918 57.221 56.287 0.027 0.000 0.930 48 K CB 0.175 32.694 32.500 0.031 0.000 0.720 48 K HN 0.440 nan 8.250 nan 0.000 0.450 49 N N 1.171 119.880 118.700 0.016 0.000 2.037 49 N HA -0.135 4.605 4.740 0.000 0.000 0.196 49 N C 0.574 176.096 175.510 0.020 0.000 1.034 49 N CA 1.064 54.121 53.050 0.013 0.000 0.861 49 N CB -0.528 37.962 38.487 0.004 0.000 1.039 49 N HN 0.231 nan 8.380 nan 0.000 0.427 50 N N 0.776 119.489 118.700 0.021 0.000 2.467 50 N HA 0.096 4.837 4.740 0.000 0.000 0.262 50 N C -0.241 175.295 175.510 0.045 0.000 1.234 50 N CA -0.265 52.806 53.050 0.035 0.000 0.952 50 N CB 1.039 39.542 38.487 0.027 0.000 1.158 50 N HN -0.178 nan 8.380 nan 0.000 0.463 51 V N 1.066 121.018 119.914 0.063 0.000 2.529 51 V HA 0.174 4.294 4.120 0.000 0.000 0.292 51 V C 0.809 176.935 176.094 0.054 0.000 1.028 51 V CA -0.676 61.662 62.300 0.063 0.000 1.074 51 V CB 0.085 31.954 31.823 0.077 0.000 0.958 51 V HN 0.708 nan 8.190 nan 0.000 0.481 52 A N 5.416 128.265 122.820 0.048 0.000 2.409 52 A HA 0.546 4.866 4.320 0.000 0.000 0.262 52 A C -0.191 177.417 177.584 0.040 0.000 1.113 52 A CA -0.298 51.761 52.037 0.038 0.000 0.790 52 A CB 0.418 19.439 19.000 0.035 0.000 1.046 52 A HN 0.719 nan 8.150 nan 0.000 0.496 53 V N 5.490 125.423 119.914 0.031 0.000 2.304 53 V HA 0.236 4.356 4.120 0.000 0.000 0.269 53 V C 0.047 176.155 176.094 0.024 0.000 1.036 53 V CA 0.023 62.345 62.300 0.036 0.000 0.840 53 V CB 0.168 32.014 31.823 0.039 0.000 1.036 53 V HN 0.709 nan 8.190 nan 0.000 0.466 54 I N 3.604 124.198 120.570 0.041 0.000 2.428 54 I HA 0.582 4.752 4.170 0.000 0.000 0.296 54 I C 0.409 176.558 176.117 0.054 0.000 0.985 54 I CA 0.276 61.607 61.300 0.051 0.000 1.260 54 I CB 1.865 39.914 38.000 0.083 0.000 1.389 54 I HN 0.634 nan 8.210 nan 0.000 0.484 55 S N 2.691 118.407 115.700 0.026 0.000 2.685 55 S HA 0.956 5.426 4.470 0.000 0.000 0.282 55 S C -0.459 174.117 174.600 -0.039 0.000 1.159 55 S CA 0.080 58.236 58.200 -0.073 0.000 0.833 55 S CB 2.048 65.149 63.200 -0.164 0.000 1.151 55 S HN 0.966 nan 8.310 nan 0.000 0.485 56 G N -0.278 108.373 108.800 -0.248 0.000 2.485 56 G HA2 0.639 4.599 3.960 0.000 0.000 0.182 56 G HA3 0.639 4.599 3.960 0.000 0.000 0.182 56 G C 0.065 174.975 174.900 0.017 0.000 1.172 56 G CA 0.275 45.396 45.100 0.034 0.000 0.996 56 G HN 2.041 nan 8.290 nan 0.000 0.496 57 G N -1.981 107.001 108.800 0.304 0.000 2.353 57 G HA2 0.542 4.502 3.960 0.000 0.000 0.615 57 G HA3 0.542 4.502 3.960 0.000 0.000 0.615 57 G C 0.387 175.479 174.900 0.319 0.000 1.280 57 G CA 0.382 45.669 45.100 0.312 0.000 1.000 57 G HN 1.984 nan 8.290 nan 0.000 0.516 58 G N -0.643 108.353 108.800 0.327 0.000 2.653 58 G HA2 0.576 4.536 3.960 0.000 0.000 0.265 58 G HA3 0.576 4.536 3.960 0.000 0.000 0.265 58 G C 0.470 175.484 174.900 0.190 0.000 1.237 58 G CA 0.887 46.136 45.100 0.247 0.000 0.946 58 G HN 1.387 nan 8.290 nan 0.000 0.522 59 S N -1.826 113.898 115.700 0.040 0.000 2.713 59 S HA 0.640 5.110 4.470 0.000 0.000 0.283 59 S C 1.071 175.506 174.600 -0.275 0.000 1.161 59 S CA 0.494 58.662 58.200 -0.053 0.000 0.999 59 S CB 1.491 64.656 63.200 -0.058 0.000 1.039 59 S HN 1.937 nan 8.310 nan 0.000 0.548 60 G N 0.540 109.201 108.800 -0.232 0.000 2.179 60 G HA2 -0.164 3.796 3.960 0.000 0.000 0.220 60 G HA3 -0.164 3.796 3.960 0.000 0.000 0.220 60 G C -0.074 174.741 174.900 -0.141 0.000 0.990 60 G CA -0.361 44.548 45.100 -0.318 0.000 0.646 60 G HN 0.711 nan 8.290 nan 0.000 0.517 61 H N 0.718 119.872 119.070 0.141 0.000 2.533 61 H HA 0.398 4.954 4.556 0.000 0.000 0.281 61 H C 0.561 175.940 175.328 0.084 0.000 1.238 61 H CA -0.284 55.837 56.048 0.121 0.000 1.024 61 H CB 0.350 30.165 29.762 0.089 0.000 1.604 61 H HN 0.449 nan 8.280 nan 0.000 0.531 62 E N 1.809 122.100 120.200 0.151 0.000 2.545 62 E HA 0.035 4.385 4.350 0.000 0.000 0.271 62 E C -1.048 175.595 176.600 0.071 0.000 1.508 62 E CA -0.855 55.609 56.400 0.107 0.000 1.774 62 E CB 0.383 30.125 29.700 0.071 0.000 1.460 62 E HN 0.488 nan 8.360 nan 0.000 0.449 63 P HA 0.126 nan 4.420 nan 0.000 0.244 63 P C -0.006 177.343 177.300 0.082 0.000 1.191 63 P CA 0.018 63.122 63.100 0.006 0.000 0.829 63 P CB 0.437 32.030 31.700 -0.177 0.000 1.008 64 A N 1.186 124.128 122.820 0.204 0.000 2.566 64 A HA -0.038 4.282 4.320 0.000 0.000 0.245 64 A C 0.678 178.306 177.584 0.075 0.000 1.056 64 A CA 0.550 52.614 52.037 0.045 0.000 0.757 64 A CB -0.609 18.209 19.000 -0.304 0.000 0.979 64 A HN 0.285 nan 8.150 nan 0.000 0.508 65 H N 1.965 121.186 119.070 0.251 0.000 3.046 65 H HA 0.045 4.601 4.556 0.000 0.000 0.262 65 H C 1.608 177.051 175.328 0.192 0.000 1.044 65 H CA 0.783 57.004 56.048 0.288 0.000 1.209 65 H CB 0.439 30.320 29.762 0.199 0.000 1.507 65 H HN 0.513 nan 8.280 nan 0.000 0.507 66 V N 0.924 120.965 119.914 0.212 0.000 2.568 66 V HA -0.201 3.919 4.120 0.000 0.000 0.253 66 V C 2.634 178.752 176.094 0.040 0.000 1.072 66 V CA 2.011 64.379 62.300 0.113 0.000 1.084 66 V CB -0.837 31.035 31.823 0.082 0.000 0.676 66 V HN 0.508 nan 8.190 nan 0.000 0.469 67 G N -0.813 107.960 108.800 -0.044 0.000 2.448 67 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 67 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 67 G C 1.062 175.722 174.900 -0.399 0.000 1.127 67 G CA 0.462 45.389 45.100 -0.287 0.000 0.766 67 G HN 0.577 nan 8.290 nan 0.000 0.552 68 F N 0.626 120.627 119.950 0.086 0.000 2.639 68 F HA 0.466 4.993 4.527 0.000 0.000 0.300 68 F C 0.790 176.575 175.800 -0.024 0.000 1.109 68 F CA -0.795 57.242 58.000 0.060 0.000 1.335 68 F CB 0.136 39.184 39.000 0.079 0.000 1.014 68 F HN -0.084 nan 8.300 nan 0.000 0.537 69 I N 0.419 121.040 120.570 0.084 0.000 2.581 69 I HA 0.573 4.743 4.170 0.000 0.000 0.288 69 I C 0.835 176.937 176.117 -0.025 0.000 1.047 69 I CA 0.057 61.372 61.300 0.025 0.000 1.374 69 I CB 0.671 38.689 38.000 0.030 0.000 1.423 69 I HN 0.295 nan 8.210 nan 0.000 0.549 70 G N 4.251 113.017 108.800 -0.057 0.000 2.371 70 G HA2 -0.105 3.856 3.960 0.000 0.000 0.663 70 G HA3 -0.105 3.856 3.960 0.000 0.000 0.663 70 G C -0.828 173.977 174.900 -0.158 0.000 1.311 70 G CA -0.958 44.070 45.100 -0.119 0.000 0.985 70 G HN 0.709 nan 8.290 nan 0.000 0.566 71 K N 0.471 120.744 120.400 -0.212 0.000 2.473 71 K HA 0.359 4.679 4.320 0.000 0.000 0.277 71 K C 1.529 177.993 176.600 -0.226 0.000 1.052 71 K CA 1.907 58.070 56.287 -0.207 0.000 1.114 71 K CB -0.332 32.028 32.500 -0.235 0.000 0.869 71 K HN 2.375 nan 8.250 nan 0.000 0.481 72 G N 2.906 111.596 108.800 -0.184 0.000 2.232 72 G HA2 -0.248 3.712 3.960 0.000 0.000 0.226 72 G HA3 -0.248 3.712 3.960 0.000 0.000 0.226 72 G C 0.134 174.925 174.900 -0.182 0.000 0.996 72 G CA 0.324 45.304 45.100 -0.200 0.000 0.626 72 G HN 0.588 nan 8.290 nan 0.000 0.509 73 M N -1.372 118.142 119.600 -0.143 0.000 2.990 73 M HA 0.585 5.065 4.480 0.000 0.000 0.462 73 M C -0.683 175.574 176.300 -0.071 0.000 1.961 73 M CA -0.904 54.333 55.300 -0.105 0.000 0.798 73 M CB 0.053 32.599 32.600 -0.090 0.000 3.332 73 M HN -0.051 nan 8.290 nan 0.000 0.541 74 L N 1.494 122.672 121.223 -0.076 0.000 2.559 74 L HA -0.021 4.319 4.340 0.000 0.000 0.282 74 L C 1.254 178.101 176.870 -0.038 0.000 1.232 74 L CA 1.005 55.801 54.840 -0.074 0.000 0.885 74 L CB -0.210 41.782 42.059 -0.112 0.000 1.131 74 L HN 0.677 nan 8.230 nan 0.000 0.498 75 T N 1.651 116.191 114.554 -0.023 0.000 2.852 75 T HA 0.306 4.657 4.350 0.000 0.000 0.256 75 T C 0.518 175.217 174.700 -0.001 0.000 1.038 75 T CA 1.079 63.172 62.100 -0.011 0.000 1.141 75 T CB 0.180 69.048 68.868 0.001 0.000 0.869 75 T HN 0.717 nan 8.240 nan 0.000 0.439 76 A N -0.098 122.726 122.820 0.006 0.000 2.594 76 A HA 0.849 5.169 4.320 0.000 0.000 0.291 76 A C -1.703 175.901 177.584 0.033 0.000 1.105 76 A CA -0.551 51.498 52.037 0.019 0.000 0.694 76 A CB 1.293 20.303 19.000 0.016 0.000 1.291 76 A HN 0.398 nan 8.150 nan 0.000 0.410 77 A N 0.201 123.053 122.820 0.054 0.000 2.398 77 A HA 0.658 4.978 4.320 0.000 0.000 0.301 77 A C -1.138 176.500 177.584 0.092 0.000 1.041 77 A CA -0.428 51.660 52.037 0.085 0.000 0.711 77 A CB 1.314 20.393 19.000 0.131 0.000 1.240 77 A HN 1.471 nan 8.150 nan 0.000 0.420 78 V N 1.573 121.560 119.914 0.121 0.000 2.333 78 V HA 0.310 4.430 4.120 0.000 0.000 0.274 78 V C -0.225 175.943 176.094 0.124 0.000 1.028 78 V CA -0.635 61.716 62.300 0.085 0.000 0.851 78 V CB 0.465 32.296 31.823 0.014 0.000 1.000 78 V HN 0.924 nan 8.190 nan 0.000 0.456 79 C N 4.482 123.835 119.300 0.090 0.000 2.273 79 C HA 0.832 5.292 4.460 0.000 0.000 0.328 79 C C 1.140 176.166 174.990 0.060 0.000 1.275 79 C CA -0.645 58.434 59.018 0.101 0.000 1.704 79 C CB 0.083 27.878 27.740 0.091 0.000 2.326 79 C HN 1.012 nan 8.230 nan 0.000 0.517 80 G N 1.836 110.681 108.800 0.076 0.000 2.613 80 G HA2 0.490 4.450 3.960 0.000 0.000 0.303 80 G HA3 0.490 4.450 3.960 0.000 0.000 0.303 80 G C -0.642 174.269 174.900 0.018 0.000 1.312 80 G CA -0.206 44.917 45.100 0.039 0.000 1.036 80 G HN 0.731 nan 8.290 nan 0.000 0.513 81 D N -1.845 118.549 120.400 -0.010 0.000 2.278 81 D HA 0.128 4.768 4.640 0.000 0.000 0.240 81 D C 0.737 176.999 176.300 -0.063 0.000 1.347 81 D CA 0.043 54.013 54.000 -0.050 0.000 0.945 81 D CB 0.498 41.260 40.800 -0.063 0.000 1.175 81 D HN 0.110 nan 8.370 nan 0.000 0.519 82 V N 2.217 122.040 119.914 -0.150 0.000 2.493 82 V HA 0.003 4.123 4.120 0.000 0.000 0.292 82 V C 0.348 176.381 176.094 -0.100 0.000 1.016 82 V CA 0.413 62.547 62.300 -0.276 0.000 1.097 82 V CB -0.883 30.666 31.823 -0.456 0.000 0.947 82 V HN 0.685 nan 8.190 nan 0.000 0.479 83 F N 1.362 121.278 119.950 -0.057 0.000 3.067 83 F HA -0.232 4.295 4.527 0.000 0.000 0.279 83 F C 0.642 176.463 175.800 0.034 0.000 0.945 83 F CA 0.309 58.352 58.000 0.071 0.000 0.948 83 F CB -0.840 38.218 39.000 0.097 0.000 0.898 83 F HN 0.785 nan 8.300 nan 0.000 0.746 84 A N 0.455 123.385 122.820 0.184 0.000 2.488 84 A HA 0.583 4.903 4.320 0.000 0.000 0.295 84 A C -0.154 177.485 177.584 0.091 0.000 1.045 84 A CA 0.072 52.157 52.037 0.081 0.000 0.703 84 A CB 1.572 20.597 19.000 0.041 0.000 1.271 84 A HN 0.303 nan 8.150 nan 0.000 0.400 85 S N 2.153 117.904 115.700 0.084 0.000 2.569 85 S HA 0.430 4.900 4.470 0.000 0.000 0.274 85 S C -1.920 172.727 174.600 0.079 0.000 1.353 85 S CA -0.296 57.985 58.200 0.135 0.000 1.023 85 S CB -0.032 63.263 63.200 0.158 0.000 0.876 85 S HN 0.506 nan 8.310 nan 0.000 0.540 86 P HA 0.208 nan 4.420 nan 0.000 0.277 86 P C -0.582 176.669 177.300 -0.081 0.000 1.276 86 P CA -0.576 62.505 63.100 -0.031 0.000 0.788 86 P CB 0.314 31.957 31.700 -0.095 0.000 1.114 87 S N -1.108 114.533 115.700 -0.099 0.000 2.634 87 S HA 0.130 4.600 4.470 0.000 0.000 0.261 87 S C 1.261 175.770 174.600 -0.153 0.000 1.271 87 S CA -0.554 57.588 58.200 -0.096 0.000 0.985 87 S CB -0.069 63.086 63.200 -0.076 0.000 0.968 87 S HN 0.165 nan 8.310 nan 0.000 0.568 88 V N 0.698 120.539 119.914 -0.121 0.000 2.323 88 V HA -0.111 4.009 4.120 0.000 0.000 0.244 88 V C 2.228 178.237 176.094 -0.142 0.000 1.041 88 V CA 1.991 64.208 62.300 -0.139 0.000 1.025 88 V CB -1.383 30.391 31.823 -0.082 0.000 0.656 88 V HN 0.877 nan 8.190 nan 0.000 0.451 89 D N 0.629 120.967 120.400 -0.103 0.000 2.170 89 D HA -0.226 4.414 4.640 0.000 0.000 0.193 89 D C 2.099 178.333 176.300 -0.110 0.000 1.004 89 D CA 1.917 55.863 54.000 -0.090 0.000 0.860 89 D CB -0.191 40.569 40.800 -0.068 0.000 0.931 89 D HN 0.466 nan 8.370 nan 0.000 0.448 90 A N -0.449 122.291 122.820 -0.133 0.000 1.898 90 A HA -0.036 4.284 4.320 0.000 0.000 0.214 90 A C 2.368 179.834 177.584 -0.197 0.000 1.183 90 A CA 0.786 52.739 52.037 -0.141 0.000 0.622 90 A CB -0.476 18.447 19.000 -0.128 0.000 0.824 90 A HN 0.143 nan 8.150 nan 0.000 0.444 91 V N -0.054 119.674 119.914 -0.310 0.000 2.490 91 V HA -0.212 3.908 4.120 0.000 0.000 0.250 91 V C 2.453 178.407 176.094 -0.233 0.000 1.061 91 V CA 1.876 63.932 62.300 -0.405 0.000 1.064 91 V CB -0.726 30.645 31.823 -0.754 0.000 0.670 91 V HN 0.573 nan 8.190 nan 0.000 0.461 92 L N 0.053 121.162 121.223 -0.191 0.000 2.007 92 L HA -0.109 4.231 4.340 0.000 0.000 0.205 92 L C 2.527 179.299 176.870 -0.162 0.000 1.073 92 L CA 2.470 57.214 54.840 -0.161 0.000 0.744 92 L CB -1.147 40.836 42.059 -0.126 0.000 0.898 92 L HN 0.287 nan 8.230 nan 0.000 0.435 93 T N 0.173 114.650 114.554 -0.128 0.000 2.751 93 T HA -0.278 4.072 4.350 0.000 0.000 0.268 93 T C 1.799 176.436 174.700 -0.105 0.000 1.045 93 T CA 1.468 63.506 62.100 -0.103 0.000 1.142 93 T CB -0.539 68.283 68.868 -0.076 0.000 0.851 93 T HN 0.569 nan 8.240 nan 0.000 0.474 94 A N 0.851 123.606 122.820 -0.109 0.000 1.872 94 A HA 0.051 4.371 4.320 0.000 0.000 0.214 94 A C 2.241 179.765 177.584 -0.099 0.000 1.187 94 A CA 1.014 53.002 52.037 -0.083 0.000 0.614 94 A CB -0.594 18.367 19.000 -0.065 0.000 0.826 94 A HN 0.527 nan 8.150 nan 0.000 0.442 95 I N -0.196 120.288 120.570 -0.144 0.000 2.099 95 I HA -0.368 3.802 4.170 0.000 0.000 0.239 95 I C 2.855 178.790 176.117 -0.302 0.000 1.066 95 I CA 1.806 62.990 61.300 -0.192 0.000 1.324 95 I CB -0.733 37.120 38.000 -0.244 0.000 1.037 95 I HN 0.438 nan 8.210 nan 0.000 0.401 96 Q N 0.897 120.438 119.800 -0.432 0.000 1.975 96 Q HA -0.256 4.084 4.340 0.000 0.000 0.205 96 Q C 2.533 178.469 176.000 -0.107 0.000 0.990 96 Q CA 1.963 57.512 55.803 -0.423 0.000 0.845 96 Q CB -0.514 28.059 28.738 -0.275 0.000 0.913 96 Q HN 0.604 nan 8.270 nan 0.000 0.420 97 A N 0.776 123.550 122.820 -0.077 0.000 1.971 97 A HA -0.199 4.121 4.320 0.000 0.000 0.222 97 A C 2.118 179.702 177.584 -0.000 0.000 1.182 97 A CA 2.382 54.406 52.037 -0.023 0.000 0.649 97 A CB -0.611 18.372 19.000 -0.027 0.000 0.818 97 A HN 0.406 nan 8.150 nan 0.000 0.458 98 V N -4.782 115.127 119.914 -0.009 0.000 3.432 98 V HA 0.267 4.387 4.120 0.000 0.000 0.298 98 V C 0.377 176.492 176.094 0.034 0.000 1.464 98 V CA 0.400 62.708 62.300 0.013 0.000 1.046 98 V CB -0.262 31.565 31.823 0.006 0.000 0.887 98 V HN 0.203 nan 8.190 nan 0.000 0.441 99 T N 2.209 116.791 114.554 0.047 0.000 2.817 99 T HA 0.660 5.010 4.350 0.000 0.000 0.293 99 T C 0.752 175.546 174.700 0.158 0.000 0.964 99 T CA 0.532 62.692 62.100 0.101 0.000 1.085 99 T CB 1.386 70.327 68.868 0.122 0.000 0.921 99 T HN 0.617 nan 8.240 nan 0.000 0.502 100 G N 0.966 109.832 108.800 0.110 0.000 2.773 100 G HA2 0.266 4.226 3.960 0.000 0.000 0.186 100 G HA3 0.266 4.226 3.960 0.000 0.000 0.186 100 G C 0.627 175.573 174.900 0.076 0.000 1.411 100 G CA -0.351 44.800 45.100 0.085 0.000 1.054 100 G HN 0.720 nan 8.290 nan 0.000 0.579 101 E N -0.995 119.227 120.200 0.037 0.000 2.340 101 E HA 0.158 4.508 4.350 0.000 0.000 0.194 101 E C 2.395 179.011 176.600 0.027 0.000 0.996 101 E CA 0.564 56.974 56.400 0.016 0.000 0.869 101 E CB -0.003 29.695 29.700 -0.004 0.000 0.835 101 E HN 0.376 nan 8.360 nan 0.000 0.493 102 A N 0.852 123.694 122.820 0.036 0.000 2.172 102 A HA 0.229 4.549 4.320 0.000 0.000 0.216 102 A C 1.193 178.808 177.584 0.052 0.000 1.154 102 A CA 1.177 53.237 52.037 0.039 0.000 0.701 102 A CB -0.562 18.464 19.000 0.042 0.000 0.789 102 A HN 0.418 nan 8.150 nan 0.000 0.465 103 G N -2.231 106.609 108.800 0.066 0.000 2.610 103 G HA2 0.127 4.087 3.960 0.000 0.000 0.304 103 G HA3 0.127 4.087 3.960 0.000 0.000 0.304 103 G C -0.184 174.764 174.900 0.080 0.000 1.309 103 G CA -0.224 44.925 45.100 0.082 0.000 0.906 103 G HN 2.154 nan 8.290 nan 0.000 0.521 104 C N -1.512 117.834 119.300 0.077 0.000 2.985 104 C HA 0.856 5.316 4.460 0.000 0.000 0.314 104 C C -0.587 174.437 174.990 0.058 0.000 1.215 104 C CA -0.714 58.342 59.018 0.063 0.000 1.414 104 C CB 1.000 28.774 27.740 0.056 0.000 1.842 104 C HN 2.171 nan 8.230 nan 0.000 0.477 105 L N 3.880 125.135 121.223 0.054 0.000 2.316 105 L HA 0.678 5.018 4.340 0.000 0.000 0.280 105 L C -0.732 176.167 176.870 0.049 0.000 1.006 105 L CA -0.497 54.371 54.840 0.048 0.000 0.836 105 L CB 0.894 42.980 42.059 0.044 0.000 1.221 105 L HN 0.814 nan 8.230 nan 0.000 0.418 106 L N 6.385 127.638 121.223 0.050 0.000 2.313 106 L HA 0.376 4.716 4.340 0.000 0.000 0.282 106 L C -0.253 176.603 176.870 -0.024 0.000 1.092 106 L CA -0.111 54.758 54.840 0.048 0.000 0.831 106 L CB 0.711 42.838 42.059 0.113 0.000 1.159 106 L HN 0.589 nan 8.230 nan 0.000 0.442 107 I N 4.625 125.166 120.570 -0.049 0.000 2.337 107 I HA 0.282 4.452 4.170 0.000 0.000 0.285 107 I C -0.356 175.638 176.117 -0.205 0.000 1.041 107 I CA -0.444 60.812 61.300 -0.074 0.000 1.199 107 I CB 1.472 39.496 38.000 0.039 0.000 1.370 107 I HN 0.265 nan 8.210 nan 0.000 0.470 108 V N 6.610 126.372 119.914 -0.254 0.000 2.513 108 V HA 0.303 4.423 4.120 0.000 0.000 0.299 108 V C 0.273 176.269 176.094 -0.165 0.000 1.035 108 V CA -0.996 61.091 62.300 -0.354 0.000 0.889 108 V CB 1.999 33.553 31.823 -0.447 0.000 0.988 108 V HN 0.598 nan 8.190 nan 0.000 0.440 109 K N 2.817 123.175 120.400 -0.069 0.000 2.322 109 K HA 0.166 4.486 4.320 0.000 0.000 0.283 109 K C 0.200 176.891 176.600 0.152 0.000 1.042 109 K CA -0.407 55.946 56.287 0.111 0.000 0.958 109 K CB 0.294 32.981 32.500 0.312 0.000 0.984 109 K HN 0.515 nan 8.250 nan 0.000 0.473 110 N N 3.582 122.224 118.700 -0.097 0.000 2.416 110 N HA -0.053 4.687 4.740 0.000 0.000 0.291 110 N C -1.702 173.438 175.510 -0.617 0.000 1.257 110 N CA 0.654 53.542 53.050 -0.270 0.000 1.043 110 N CB -0.379 37.952 38.487 -0.261 0.000 1.441 110 N HN 0.336 nan 8.380 nan 0.000 0.490 111 Y N -0.818 119.459 120.300 -0.039 0.000 2.442 111 Y HA 0.097 4.647 4.550 0.000 0.000 0.330 111 Y C 1.585 177.445 175.900 -0.066 0.000 1.100 111 Y CA -0.943 57.132 58.100 -0.043 0.000 1.034 111 Y CB 1.130 39.580 38.460 -0.018 0.000 1.285 111 Y HN 0.286 nan 8.280 nan 0.000 0.440 112 T N -1.263 113.306 114.554 0.025 0.000 2.760 112 T HA -0.210 4.140 4.350 0.000 0.000 0.269 112 T C 1.850 176.569 174.700 0.031 0.000 1.047 112 T CA 2.052 64.140 62.100 -0.020 0.000 1.139 112 T CB -0.515 68.328 68.868 -0.042 0.000 0.855 112 T HN 0.903 nan 8.240 nan 0.000 0.471 113 G N 1.467 110.304 108.800 0.062 0.000 2.464 113 G HA2 -0.144 3.816 3.960 0.000 0.000 0.214 113 G HA3 -0.144 3.816 3.960 0.000 0.000 0.214 113 G C 1.286 176.257 174.900 0.119 0.000 1.218 113 G CA 0.984 46.122 45.100 0.062 0.000 0.794 113 G HN 0.547 nan 8.290 nan 0.000 0.542 114 D N 0.554 121.055 120.400 0.168 0.000 2.116 114 D HA -0.085 4.555 4.640 0.000 0.000 0.193 114 D C 2.620 179.071 176.300 0.251 0.000 0.998 114 D CA 0.839 55.000 54.000 0.268 0.000 0.836 114 D CB -0.279 40.624 40.800 0.172 0.000 0.951 114 D HN 0.265 nan 8.370 nan 0.000 0.449 115 R N 0.191 120.763 120.500 0.121 0.000 2.097 115 R HA -0.086 4.254 4.340 0.000 0.000 0.236 115 R C 2.578 178.939 176.300 0.101 0.000 1.135 115 R CA 0.909 57.054 56.100 0.074 0.000 0.934 115 R CB -0.680 29.619 30.300 -0.001 0.000 0.846 115 R HN 0.206 nan 8.270 nan 0.000 0.431 116 L N 0.757 122.022 121.223 0.069 0.000 2.013 116 L HA -0.267 4.073 4.340 0.000 0.000 0.212 116 L C 2.038 178.949 176.870 0.068 0.000 1.073 116 L CA 1.493 56.364 54.840 0.052 0.000 0.753 116 L CB -0.614 41.462 42.059 0.029 0.000 0.890 116 L HN 0.272 nan 8.230 nan 0.000 0.432 117 N N -0.321 118.435 118.700 0.092 0.000 2.080 117 N HA -0.140 4.600 4.740 0.000 0.000 0.189 117 N C 1.655 177.182 175.510 0.027 0.000 1.036 117 N CA 1.296 54.370 53.050 0.041 0.000 0.846 117 N CB -0.428 38.068 38.487 0.015 0.000 1.015 117 N HN 0.102 nan 8.380 nan 0.000 0.423 118 F N 0.662 120.611 119.950 -0.002 0.000 2.269 118 F HA 0.010 4.537 4.527 0.000 0.000 0.301 118 F C 2.322 178.117 175.800 -0.007 0.000 1.082 118 F CA 1.064 59.061 58.000 -0.006 0.000 1.360 118 F CB -0.690 38.310 39.000 -0.001 0.000 1.041 118 F HN 0.094 nan 8.300 nan 0.000 0.512 119 G N -0.148 108.758 108.800 0.177 0.000 2.434 119 G HA2 -0.231 3.729 3.960 0.000 0.000 0.214 119 G HA3 -0.231 3.729 3.960 0.000 0.000 0.214 119 G C 1.605 176.537 174.900 0.053 0.000 1.202 119 G CA 0.718 45.876 45.100 0.097 0.000 0.788 119 G HN 0.273 nan 8.290 nan 0.000 0.539 120 L N 1.676 122.918 121.223 0.033 0.000 2.081 120 L HA 0.014 4.354 4.340 0.000 0.000 0.212 120 L C 3.013 179.883 176.870 0.000 0.000 1.080 120 L CA 2.071 56.918 54.840 0.011 0.000 0.754 120 L CB -0.878 41.181 42.059 -0.000 0.000 0.893 120 L HN 0.282 nan 8.230 nan 0.000 0.433 121 A N -0.203 122.609 122.820 -0.014 0.000 1.834 121 A HA -0.193 4.128 4.320 0.000 0.000 0.216 121 A C 2.496 180.074 177.584 -0.011 0.000 1.203 121 A CA 2.494 54.505 52.037 -0.043 0.000 0.621 121 A CB -1.556 17.383 19.000 -0.101 0.000 0.841 121 A HN 0.603 nan 8.150 nan 0.000 0.446 122 A N -0.884 121.951 122.820 0.025 0.000 2.009 122 A HA -0.261 4.059 4.320 0.000 0.000 0.222 122 A C 1.923 179.529 177.584 0.037 0.000 1.175 122 A CA 2.199 54.260 52.037 0.040 0.000 0.651 122 A CB -0.522 18.517 19.000 0.066 0.000 0.815 122 A HN 0.578 nan 8.150 nan 0.000 0.459 123 E N -0.099 120.119 120.200 0.030 0.000 2.016 123 E HA -0.108 4.242 4.350 0.000 0.000 0.190 123 E C 1.922 178.540 176.600 0.030 0.000 0.985 123 E CA 1.156 57.574 56.400 0.030 0.000 0.802 123 E CB -0.477 29.236 29.700 0.023 0.000 0.762 123 E HN 0.662 nan 8.360 nan 0.000 0.448 124 K N 0.700 121.110 120.400 0.018 0.000 2.286 124 K HA -0.116 4.204 4.320 0.000 0.000 0.203 124 K C 1.938 178.562 176.600 0.041 0.000 1.045 124 K CA 1.019 57.317 56.287 0.019 0.000 0.935 124 K CB -0.056 32.444 32.500 -0.001 0.000 0.737 124 K HN 0.050 nan 8.250 nan 0.000 0.460 125 A N 1.261 124.103 122.820 0.037 0.000 1.878 125 A HA -0.060 4.260 4.320 0.000 0.000 0.213 125 A C 1.953 179.643 177.584 0.176 0.000 1.192 125 A CA 0.553 52.635 52.037 0.074 0.000 0.619 125 A CB -0.118 18.873 19.000 -0.014 0.000 0.837 125 A HN 0.089 nan 8.150 nan 0.000 0.446 126 R N -0.086 120.481 120.500 0.111 0.000 2.103 126 R HA -0.179 4.161 4.340 0.000 0.000 0.242 126 R C 2.276 178.628 176.300 0.086 0.000 1.142 126 R CA 1.634 57.793 56.100 0.098 0.000 0.960 126 R CB -0.663 29.673 30.300 0.060 0.000 0.858 126 R HN 0.650 nan 8.270 nan 0.000 0.439 127 R N 1.352 121.897 120.500 0.075 0.000 2.241 127 R HA -0.060 4.280 4.340 0.000 0.000 0.224 127 R C 1.298 177.637 176.300 0.065 0.000 1.101 127 R CA 0.978 57.111 56.100 0.056 0.000 0.995 127 R CB -0.031 30.296 30.300 0.045 0.000 0.870 127 R HN 0.225 nan 8.270 nan 0.000 0.463 128 L N -0.238 121.060 121.223 0.125 0.000 2.741 128 L HA 0.274 4.614 4.340 0.000 0.000 0.237 128 L C 1.069 177.912 176.870 -0.045 0.000 1.178 128 L CA 0.426 55.336 54.840 0.116 0.000 0.973 128 L CB 0.623 42.867 42.059 0.309 0.000 1.255 128 L HN 0.538 nan 8.230 nan 0.000 0.498 129 G N -0.911 107.872 108.800 -0.029 0.000 2.241 129 G HA2 -0.331 3.629 3.960 0.000 0.000 0.244 129 G HA3 -0.331 3.629 3.960 0.000 0.000 0.244 129 G C 0.104 174.927 174.900 -0.129 0.000 0.998 129 G CA -0.335 44.693 45.100 -0.120 0.000 0.621 129 G HN 0.294 nan 8.290 nan 0.000 0.519 130 Y N 1.917 122.221 120.300 0.007 0.000 2.632 130 Y HA 0.249 4.799 4.550 0.000 0.000 0.329 130 Y C 1.117 177.024 175.900 0.012 0.000 1.174 130 Y CA -0.158 57.948 58.100 0.010 0.000 1.469 130 Y CB 0.368 38.834 38.460 0.011 0.000 1.242 130 Y HN 0.063 nan 8.280 nan 0.000 0.540 131 N N 3.814 122.594 118.700 0.134 0.000 2.421 131 N HA 0.119 4.859 4.740 0.000 0.000 0.260 131 N C -0.990 174.579 175.510 0.098 0.000 1.173 131 N CA 0.062 53.164 53.050 0.087 0.000 0.960 131 N CB 0.587 39.107 38.487 0.056 0.000 1.273 131 N HN 0.280 nan 8.380 nan 0.000 0.497 132 V N 1.790 121.758 119.914 0.091 0.000 2.713 132 V HA 0.416 4.536 4.120 0.000 0.000 0.307 132 V C 0.223 176.350 176.094 0.055 0.000 1.052 132 V CA -0.534 61.811 62.300 0.075 0.000 0.967 132 V CB 2.139 34.007 31.823 0.074 0.000 1.019 132 V HN 0.410 nan 8.190 nan 0.000 0.459 133 E N 2.595 122.825 120.200 0.050 0.000 2.321 133 E HA 0.525 4.875 4.350 0.000 0.000 0.278 133 E C -1.299 175.321 176.600 0.034 0.000 0.902 133 E CA -0.459 55.963 56.400 0.037 0.000 0.758 133 E CB 2.123 31.840 29.700 0.029 0.000 1.213 133 E HN 0.702 nan 8.360 nan 0.000 0.426 134 M N 4.201 123.815 119.600 0.024 0.000 2.253 134 M HA 0.475 4.955 4.480 0.000 0.000 0.314 134 M C -1.606 174.687 176.300 -0.012 0.000 1.019 134 M CA -1.142 54.166 55.300 0.012 0.000 0.932 134 M CB 1.131 33.747 32.600 0.026 0.000 1.606 134 M HN 0.386 nan 8.290 nan 0.000 0.430 135 L N 7.378 128.581 121.223 -0.033 0.000 2.316 135 L HA 0.591 4.931 4.340 0.000 0.000 0.280 135 L C -1.441 175.384 176.870 -0.074 0.000 1.006 135 L CA -0.252 54.560 54.840 -0.047 0.000 0.836 135 L CB 1.103 43.135 42.059 -0.044 0.000 1.221 135 L HN 0.691 nan 8.230 nan 0.000 0.418 136 I N 5.696 126.225 120.570 -0.068 0.000 2.416 136 I HA 0.289 4.459 4.170 0.000 0.000 0.288 136 I C -0.329 175.732 176.117 -0.093 0.000 1.051 136 I CA -0.573 60.678 61.300 -0.082 0.000 1.375 136 I CB 1.194 39.156 38.000 -0.064 0.000 1.407 136 I HN 0.288 nan 8.210 nan 0.000 0.516 137 V N 5.225 125.074 119.914 -0.109 0.000 2.435 137 V HA 0.680 4.800 4.120 0.000 0.000 0.290 137 V C 0.483 176.501 176.094 -0.127 0.000 1.030 137 V CA -0.445 61.780 62.300 -0.125 0.000 0.881 137 V CB 1.494 33.231 31.823 -0.143 0.000 0.983 137 V HN 0.945 nan 8.190 nan 0.000 0.445 138 G N 2.725 111.442 108.800 -0.139 0.000 2.845 138 G HA2 0.536 4.496 3.960 0.000 0.000 0.282 138 G HA3 0.536 4.496 3.960 0.000 0.000 0.282 138 G C -0.203 174.604 174.900 -0.155 0.000 1.546 138 G CA -0.343 44.672 45.100 -0.142 0.000 1.089 138 G HN 0.722 nan 8.290 nan 0.000 0.558 139 D N 1.102 121.414 120.400 -0.146 0.000 2.479 139 D HA 0.020 4.660 4.640 0.000 0.000 0.216 139 D C 0.103 176.353 176.300 -0.083 0.000 1.110 139 D CA -0.261 53.640 54.000 -0.165 0.000 0.841 139 D CB 0.474 41.171 40.800 -0.172 0.000 1.040 139 D HN 0.343 nan 8.370 nan 0.000 0.505 140 D N 1.556 121.919 120.400 -0.063 0.000 2.458 140 D HA 0.002 4.642 4.640 0.000 0.000 0.243 140 D C 1.291 177.591 176.300 -0.000 0.000 1.146 140 D CA -0.068 53.917 54.000 -0.026 0.000 0.877 140 D CB 0.627 41.404 40.800 -0.037 0.000 1.176 140 D HN 0.319 nan 8.370 nan 0.000 0.461 141 I N 0.714 121.304 120.570 0.033 0.000 4.009 141 I HA 0.147 4.317 4.170 0.000 0.000 0.331 141 I C 1.047 177.177 176.117 0.023 0.000 1.462 141 I CA -0.282 61.049 61.300 0.051 0.000 1.117 141 I CB 0.143 38.209 38.000 0.110 0.000 1.091 141 I HN 0.244 nan 8.210 nan 0.000 0.410 142 S N 1.582 117.287 115.700 0.008 0.000 2.481 142 S HA 0.134 4.604 4.470 0.000 0.000 0.231 142 S C 0.898 175.495 174.600 -0.005 0.000 0.996 142 S CA 0.388 58.587 58.200 -0.002 0.000 0.942 142 S CB -0.410 62.785 63.200 -0.008 0.000 0.768 142 S HN 0.580 nan 8.310 nan 0.000 0.520 143 L N 1.682 122.901 121.223 -0.007 0.000 2.511 143 L HA 0.369 4.709 4.340 0.000 0.000 0.252 143 L C -1.901 174.960 176.870 -0.015 0.000 1.542 143 L CA -1.361 53.472 54.840 -0.011 0.000 0.822 143 L CB 1.622 43.675 42.059 -0.011 0.000 1.050 143 L HN -0.033 nan 8.230 nan 0.000 0.516 144 P HA -0.195 nan 4.420 nan 0.000 0.218 144 P C 0.407 177.693 177.300 -0.024 0.000 1.146 144 P CA 1.262 64.354 63.100 -0.013 0.000 0.813 144 P CB 0.419 32.114 31.700 -0.007 0.000 0.778 145 D N -0.808 119.578 120.400 -0.023 0.000 2.363 145 D HA 0.012 4.652 4.640 0.000 0.000 0.226 145 D C 0.420 176.698 176.300 -0.037 0.000 1.020 145 D CA 0.542 54.526 54.000 -0.028 0.000 0.892 145 D CB -0.275 40.513 40.800 -0.022 0.000 0.900 145 D HN 0.222 nan 8.370 nan 0.000 0.531 146 N N 0.826 119.502 118.700 -0.041 0.000 2.421 146 N HA 0.032 4.772 4.740 0.000 0.000 0.285 146 N C 1.154 176.604 175.510 -0.100 0.000 1.027 146 N CA -0.294 52.725 53.050 -0.053 0.000 0.918 146 N CB 2.286 40.757 38.487 -0.028 0.000 1.152 146 N HN -0.193 nan 8.380 nan 0.000 0.485 147 K N 1.740 122.041 120.400 -0.166 0.000 2.052 147 K HA -0.189 4.131 4.320 0.000 0.000 0.215 147 K C -0.248 176.073 176.600 -0.464 0.000 1.053 147 K CA 1.823 57.894 56.287 -0.361 0.000 0.934 147 K CB -0.256 31.931 32.500 -0.522 0.000 0.717 147 K HN 0.635 nan 8.250 nan 0.000 0.450 148 H N 0.236 119.271 119.070 -0.058 0.000 2.691 148 H HA 0.325 4.881 4.556 0.000 0.000 0.281 148 H C -2.360 172.896 175.328 -0.120 0.000 1.121 148 H CA -2.461 53.535 56.048 -0.087 0.000 1.254 148 H CB 1.000 30.706 29.762 -0.093 0.000 1.390 148 H HN 0.110 nan 8.280 nan 0.000 0.491 149 P HA 0.001 nan 4.420 nan 0.000 0.263 149 P C 0.003 177.210 177.300 -0.155 0.000 1.195 149 P CA 0.004 63.058 63.100 -0.077 0.000 0.762 149 P CB 0.615 32.272 31.700 -0.073 0.000 0.799 150 R N 1.809 122.196 120.500 -0.188 0.000 2.734 150 R HA 0.378 4.718 4.340 0.000 0.000 0.266 150 R C 0.982 177.119 176.300 -0.271 0.000 1.044 150 R CA 0.150 56.032 56.100 -0.364 0.000 1.128 150 R CB 0.262 30.446 30.300 -0.194 0.000 1.010 150 R HN 0.540 nan 8.270 nan 0.000 0.461 151 G N 2.309 110.903 108.800 -0.343 0.000 2.332 151 G HA2 0.549 4.509 3.960 0.000 0.000 0.310 151 G HA3 0.549 4.509 3.960 0.000 0.000 0.310 151 G C -0.256 174.696 174.900 0.087 0.000 1.123 151 G CA -0.530 44.532 45.100 -0.064 0.000 0.873 151 G HN 0.668 nan 8.290 nan 0.000 0.460 152 I N -1.145 119.424 120.570 -0.001 0.000 3.524 152 I HA 0.724 4.894 4.170 0.000 0.000 0.312 152 I C 1.616 177.703 176.117 -0.050 0.000 1.203 152 I CA -0.729 60.556 61.300 -0.026 0.000 0.974 152 I CB 0.874 38.858 38.000 -0.027 0.000 1.352 152 I HN 0.640 nan 8.210 nan 0.000 0.475 153 A N 0.963 123.754 122.820 -0.047 0.000 1.962 153 A HA -0.326 3.994 4.320 0.000 0.000 0.239 153 A C 2.042 179.596 177.584 -0.050 0.000 1.810 153 A CA 3.526 55.543 52.037 -0.033 0.000 0.738 153 A CB -2.334 16.668 19.000 0.003 0.000 0.839 153 A HN 1.325 nan 8.150 nan 0.000 0.533 154 G N -2.421 106.346 108.800 -0.056 0.000 2.462 154 G HA2 -0.105 3.855 3.960 0.000 0.000 0.220 154 G HA3 -0.105 3.855 3.960 0.000 0.000 0.220 154 G C 1.431 176.250 174.900 -0.135 0.000 1.121 154 G CA 1.755 46.808 45.100 -0.079 0.000 0.758 154 G HN 0.532 nan 8.290 nan 0.000 0.559 155 T N 1.918 116.380 114.554 -0.153 0.000 2.649 155 T HA -0.300 4.050 4.350 0.000 0.000 0.268 155 T C 2.380 176.816 174.700 -0.439 0.000 1.036 155 T CA 1.695 63.642 62.100 -0.256 0.000 1.157 155 T CB -0.370 68.415 68.868 -0.139 0.000 0.861 155 T HN 0.636 nan 8.240 nan 0.000 0.445 156 I N -0.265 120.135 120.570 -0.283 0.000 2.335 156 I HA -0.125 4.045 4.170 0.000 0.000 0.251 156 I C 2.144 178.173 176.117 -0.146 0.000 1.129 156 I CA 1.545 62.706 61.300 -0.232 0.000 1.402 156 I CB -0.761 36.930 38.000 -0.515 0.000 1.069 156 I HN 0.197 nan 8.210 nan 0.000 0.424 157 L N 0.832 121.999 121.223 -0.093 0.000 2.056 157 L HA -0.127 4.213 4.340 0.000 0.000 0.207 157 L C 2.804 179.601 176.870 -0.122 0.000 1.078 157 L CA 0.909 55.727 54.840 -0.037 0.000 0.749 157 L CB -0.706 41.347 42.059 -0.011 0.000 0.901 157 L HN 0.168 nan 8.230 nan 0.000 0.433 158 V N -0.343 119.452 119.914 -0.198 0.000 2.469 158 V HA -0.326 3.794 4.120 0.000 0.000 0.251 158 V C 2.267 178.280 176.094 -0.136 0.000 1.064 158 V CA 1.922 64.107 62.300 -0.193 0.000 1.066 158 V CB -0.914 30.753 31.823 -0.261 0.000 0.667 158 V HN 0.505 nan 8.190 nan 0.000 0.461 159 H N -0.335 118.674 119.070 -0.102 0.000 2.299 159 H HA -0.158 4.398 4.556 0.000 0.000 0.302 159 H C 2.383 177.619 175.328 -0.153 0.000 1.078 159 H CA 1.551 57.535 56.048 -0.105 0.000 1.323 159 H CB -0.036 29.658 29.762 -0.113 0.000 1.381 159 H HN 0.218 nan 8.280 nan 0.000 0.498 160 K N 0.918 121.239 120.400 -0.131 0.000 2.089 160 K HA -0.158 4.162 4.320 0.000 0.000 0.210 160 K C 1.796 178.295 176.600 -0.168 0.000 1.048 160 K CA 1.351 57.444 56.287 -0.323 0.000 0.926 160 K CB -0.317 31.869 32.500 -0.523 0.000 0.714 160 K HN 0.197 nan 8.250 nan 0.000 0.448 161 I N 0.382 120.898 120.570 -0.091 0.000 2.162 161 I HA -0.148 4.022 4.170 0.000 0.000 0.238 161 I C 2.340 178.534 176.117 0.128 0.000 1.076 161 I CA 1.557 62.850 61.300 -0.012 0.000 1.353 161 I CB -1.689 36.330 38.000 0.030 0.000 1.063 161 I HN 0.247 nan 8.210 nan 0.000 0.408 162 A N 1.189 124.079 122.820 0.117 0.000 1.903 162 A HA -0.200 4.120 4.320 0.000 0.000 0.219 162 A C 2.485 180.148 177.584 0.132 0.000 1.191 162 A CA 2.315 54.442 52.037 0.150 0.000 0.638 162 A CB -1.494 17.565 19.000 0.098 0.000 0.823 162 A HN 0.476 nan 8.150 nan 0.000 0.451 163 G N -1.968 106.865 108.800 0.056 0.000 2.422 163 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 163 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 163 G C 1.462 176.349 174.900 -0.022 0.000 1.146 163 G CA 1.257 46.356 45.100 -0.001 0.000 0.769 163 G HN 0.618 nan 8.290 nan 0.000 0.547 164 Y N 0.944 121.124 120.300 -0.199 0.000 1.979 164 Y HA -0.247 4.303 4.550 0.000 0.000 0.262 164 Y C 2.517 178.225 175.900 -0.319 0.000 1.142 164 Y CA 2.299 60.191 58.100 -0.346 0.000 1.096 164 Y CB -0.567 37.537 38.460 -0.593 0.000 0.958 164 Y HN 0.163 nan 8.280 nan 0.000 0.484 165 F N 0.172 120.217 119.950 0.158 0.000 2.202 165 F HA -0.228 4.299 4.527 0.000 0.000 0.301 165 F C 2.564 178.384 175.800 0.033 0.000 1.082 165 F CA 1.187 59.151 58.000 -0.060 0.000 1.313 165 F CB -1.323 37.546 39.000 -0.218 0.000 1.024 165 F HN 0.228 nan 8.300 nan 0.000 0.495 166 A N -0.020 122.905 122.820 0.175 0.000 1.865 166 A HA -0.186 4.134 4.320 0.000 0.000 0.217 166 A C 2.272 179.898 177.584 0.071 0.000 1.191 166 A CA 1.763 53.873 52.037 0.122 0.000 0.623 166 A CB -0.625 18.416 19.000 0.070 0.000 0.826 166 A HN 0.256 nan 8.150 nan 0.000 0.444 167 E N -0.225 119.965 120.200 -0.017 0.000 2.110 167 E HA -0.141 4.209 4.350 0.000 0.000 0.193 167 E C 2.042 178.616 176.600 -0.044 0.000 0.988 167 E CA 0.628 56.991 56.400 -0.062 0.000 0.804 167 E CB -0.332 29.284 29.700 -0.141 0.000 0.745 167 E HN 0.399 nan 8.360 nan 0.000 0.458 168 R N -0.371 120.113 120.500 -0.027 0.000 2.293 168 R HA -0.071 4.269 4.340 0.000 0.000 0.219 168 R C 1.415 177.776 176.300 0.102 0.000 1.091 168 R CA 0.893 57.027 56.100 0.056 0.000 1.004 168 R CB -0.444 30.009 30.300 0.255 0.000 0.865 168 R HN 0.333 nan 8.270 nan 0.000 0.469 169 G N -0.184 108.697 108.800 0.136 0.000 2.131 169 G HA2 -0.272 3.688 3.960 0.000 0.000 0.223 169 G HA3 -0.272 3.688 3.960 0.000 0.000 0.223 169 G C -0.245 174.700 174.900 0.075 0.000 0.990 169 G CA -0.222 44.916 45.100 0.063 0.000 0.671 169 G HN 0.239 nan 8.290 nan 0.000 0.521 170 Y N 0.751 121.093 120.300 0.070 0.000 2.357 170 Y HA 0.339 4.889 4.550 0.000 0.000 0.340 170 Y C 1.215 177.144 175.900 0.048 0.000 1.260 170 Y CA -0.287 57.860 58.100 0.079 0.000 1.425 170 Y CB 0.391 38.937 38.460 0.144 0.000 1.326 170 Y HN 0.197 nan 8.280 nan 0.000 0.580 171 N N 1.774 120.588 118.700 0.189 0.000 2.492 171 N HA -0.079 4.661 4.740 0.000 0.000 0.260 171 N C 1.028 176.597 175.510 0.098 0.000 1.215 171 N CA -0.224 52.887 53.050 0.102 0.000 0.923 171 N CB 0.741 39.266 38.487 0.063 0.000 1.092 171 N HN 0.765 nan 8.380 nan 0.000 0.448 172 L N 5.358 126.622 121.223 0.068 0.000 2.010 172 L HA -0.235 4.105 4.340 0.000 0.000 0.219 172 L C 2.187 179.077 176.870 0.033 0.000 1.077 172 L CA 2.591 57.463 54.840 0.054 0.000 0.773 172 L CB -1.361 40.726 42.059 0.046 0.000 0.892 172 L HN 0.738 nan 8.230 nan 0.000 0.436 173 A N -1.909 120.925 122.820 0.023 0.000 2.076 173 A HA -0.191 4.129 4.320 0.000 0.000 0.220 173 A C 2.130 179.699 177.584 -0.024 0.000 1.160 173 A CA 2.202 54.239 52.037 0.001 0.000 0.653 173 A CB -1.113 17.887 19.000 0.001 0.000 0.801 173 A HN 0.655 nan 8.150 nan 0.000 0.455 174 T N -1.292 113.255 114.554 -0.012 0.000 2.978 174 T HA 0.022 4.372 4.350 0.000 0.000 0.262 174 T C 1.785 176.372 174.700 -0.188 0.000 1.063 174 T CA 0.966 63.017 62.100 -0.082 0.000 1.140 174 T CB -0.265 68.619 68.868 0.028 0.000 0.886 174 T HN 0.130 nan 8.240 nan 0.000 0.470 175 V N 1.899 121.771 119.914 -0.070 0.000 2.223 175 V HA -0.119 4.001 4.120 0.000 0.000 0.244 175 V C 2.431 178.489 176.094 -0.060 0.000 1.045 175 V CA 1.442 63.717 62.300 -0.042 0.000 1.000 175 V CB -0.840 31.017 31.823 0.056 0.000 0.635 175 V HN 0.302 nan 8.190 nan 0.000 0.445 176 L N 0.261 121.466 121.223 -0.030 0.000 2.010 176 L HA -0.263 4.077 4.340 0.000 0.000 0.219 176 L C 2.567 179.406 176.870 -0.051 0.000 1.077 176 L CA 2.421 57.245 54.840 -0.027 0.000 0.773 176 L CB -0.810 41.240 42.059 -0.016 0.000 0.892 176 L HN 0.220 nan 8.230 nan 0.000 0.436 177 R N -0.820 119.631 120.500 -0.082 0.000 2.097 177 R HA -0.198 4.142 4.340 0.000 0.000 0.236 177 R C 2.219 178.455 176.300 -0.106 0.000 1.135 177 R CA 1.947 57.989 56.100 -0.098 0.000 0.934 177 R CB -0.293 29.927 30.300 -0.134 0.000 0.846 177 R HN 0.435 nan 8.270 nan 0.000 0.431 178 E N -0.095 119.973 120.200 -0.220 0.000 2.153 178 E HA -0.174 4.176 4.350 0.000 0.000 0.194 178 E C 1.790 178.389 176.600 -0.002 0.000 0.988 178 E CA 1.189 57.465 56.400 -0.207 0.000 0.811 178 E CB -0.181 29.092 29.700 -0.712 0.000 0.746 178 E HN 0.459 nan 8.360 nan 0.000 0.466 179 A N 1.141 123.951 122.820 -0.016 0.000 1.855 179 A HA -0.248 4.072 4.320 0.000 0.000 0.215 179 A C 2.223 179.802 177.584 -0.008 0.000 1.191 179 A CA 1.910 53.952 52.037 0.008 0.000 0.613 179 A CB -0.590 18.411 19.000 0.001 0.000 0.829 179 A HN 0.198 nan 8.150 nan 0.000 0.442 180 Q N -1.618 118.178 119.800 -0.007 0.000 2.135 180 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 180 Q C 1.804 177.817 176.000 0.022 0.000 0.981 180 Q CA 2.176 57.972 55.803 -0.011 0.000 0.856 180 Q CB -0.625 28.110 28.738 -0.005 0.000 0.902 180 Q HN 0.680 nan 8.270 nan 0.000 0.425 181 Y N 0.208 120.461 120.300 -0.078 0.000 2.081 181 Y HA -0.261 4.289 4.550 0.000 0.000 0.280 181 Y C 2.095 177.957 175.900 -0.064 0.000 1.163 181 Y CA 1.868 59.928 58.100 -0.067 0.000 1.135 181 Y CB -1.061 37.357 38.460 -0.070 0.000 0.970 181 Y HN 0.205 nan 8.280 nan 0.000 0.498 182 A N 0.531 123.268 122.820 -0.139 0.000 1.865 182 A HA -0.179 4.141 4.320 0.000 0.000 0.217 182 A C 2.539 179.978 177.584 -0.241 0.000 1.191 182 A CA 2.654 54.555 52.037 -0.227 0.000 0.623 182 A CB -1.710 17.227 19.000 -0.105 0.000 0.826 182 A HN 0.665 nan 8.150 nan 0.000 0.444 183 A N -0.513 122.197 122.820 -0.183 0.000 1.896 183 A HA -0.210 4.110 4.320 0.000 0.000 0.220 183 A C 2.342 179.756 177.584 -0.284 0.000 1.206 183 A CA 2.474 54.385 52.037 -0.210 0.000 0.647 183 A CB -1.195 17.710 19.000 -0.157 0.000 0.828 183 A HN 0.530 nan 8.150 nan 0.000 0.455 184 S N -0.104 115.453 115.700 -0.238 0.000 2.595 184 S HA -0.020 4.450 4.470 0.000 0.000 0.235 184 S C 1.035 175.446 174.600 -0.316 0.000 0.974 184 S CA 0.583 58.634 58.200 -0.249 0.000 0.942 184 S CB -0.319 62.815 63.200 -0.110 0.000 0.766 184 S HN 0.612 nan 8.310 nan 0.000 0.536 185 N N 1.216 119.703 118.700 -0.356 0.000 2.235 185 N HA 0.106 4.846 4.740 0.000 0.000 0.231 185 N C -0.801 174.563 175.510 -0.243 0.000 1.177 185 N CA 0.183 53.101 53.050 -0.220 0.000 0.874 185 N CB 1.142 39.452 38.487 -0.296 0.000 1.097 185 N HN 0.186 nan 8.380 nan 0.000 0.518 186 T N 0.680 114.887 114.554 -0.579 0.000 2.807 186 T HA 0.549 4.899 4.350 0.000 0.000 0.279 186 T C -0.707 173.495 174.700 -0.829 0.000 0.993 186 T CA -0.255 61.579 62.100 -0.445 0.000 0.970 186 T CB 0.928 69.623 68.868 -0.287 0.000 0.950 186 T HN -0.091 nan 8.240 nan 0.000 0.441 187 F N 1.865 121.790 119.950 -0.042 0.000 2.562 187 F HA 0.550 5.077 4.527 0.000 0.000 0.319 187 F C 0.455 176.244 175.800 -0.020 0.000 1.154 187 F CA -0.907 57.074 58.000 -0.032 0.000 0.931 187 F CB 1.886 40.870 39.000 -0.027 0.000 1.198 187 F HN 0.572 nan 8.300 nan 0.000 0.444 188 S N 3.292 119.047 115.700 0.093 0.000 2.536 188 S HA 0.920 5.390 4.470 0.000 0.000 0.298 188 S C -1.492 173.140 174.600 0.053 0.000 1.083 188 S CA -0.735 57.501 58.200 0.061 0.000 0.995 188 S CB 2.326 65.532 63.200 0.011 0.000 1.058 188 S HN 0.649 nan 8.310 nan 0.000 0.488 189 L N 1.514 122.763 121.223 0.043 0.000 2.505 189 L HA 0.836 5.176 4.340 0.000 0.000 0.266 189 L C -0.237 176.619 176.870 -0.024 0.000 0.954 189 L CA 0.123 54.971 54.840 0.014 0.000 0.852 189 L CB 1.668 43.742 42.059 0.025 0.000 1.282 189 L HN 1.082 nan 8.230 nan 0.000 0.403 190 G N 2.700 111.460 108.800 -0.067 0.000 2.511 190 G HA2 0.730 4.690 3.960 0.000 0.000 0.318 190 G HA3 0.730 4.690 3.960 0.000 0.000 0.318 190 G C -1.888 172.880 174.900 -0.221 0.000 1.210 190 G CA -0.673 44.338 45.100 -0.147 0.000 0.969 190 G HN 0.623 nan 8.290 nan 0.000 0.484 191 V N -0.613 119.069 119.914 -0.387 0.000 3.049 191 V HA 0.886 5.006 4.120 0.000 0.000 0.309 191 V C -0.746 175.184 176.094 -0.274 0.000 1.148 191 V CA -0.143 61.952 62.300 -0.341 0.000 0.990 191 V CB 2.081 33.625 31.823 -0.466 0.000 1.039 191 V HN 1.576 nan 8.190 nan 0.000 0.430 192 A N 4.194 126.942 122.820 -0.120 0.000 2.547 192 A HA 0.690 5.010 4.320 0.000 0.000 0.297 192 A C -0.217 177.379 177.584 0.020 0.000 1.056 192 A CA -0.469 51.539 52.037 -0.048 0.000 0.688 192 A CB 1.667 20.648 19.000 -0.032 0.000 1.282 192 A HN 0.785 nan 8.150 nan 0.000 0.400 193 L N 0.814 122.068 121.223 0.051 0.000 2.249 193 L HA 0.161 4.501 4.340 0.000 0.000 0.207 193 L C 0.987 177.943 176.870 0.143 0.000 1.090 193 L CA 1.377 56.281 54.840 0.107 0.000 0.802 193 L CB -0.078 42.051 42.059 0.117 0.000 0.947 193 L HN 0.866 nan 8.230 nan 0.000 0.453 194 S N -2.363 113.375 115.700 0.063 0.000 2.537 194 S HA 0.357 4.827 4.470 0.000 0.000 0.271 194 S C -0.453 174.125 174.600 -0.038 0.000 1.148 194 S CA -0.721 57.492 58.200 0.022 0.000 0.868 194 S CB 2.051 65.221 63.200 -0.050 0.000 1.115 194 S HN 0.003 nan 8.310 nan 0.000 0.461 195 S N 0.035 115.703 115.700 -0.054 0.000 2.618 195 S HA 0.479 4.949 4.470 0.000 0.000 0.254 195 S C 0.717 175.266 174.600 -0.084 0.000 1.284 195 S CA 0.097 58.272 58.200 -0.042 0.000 0.975 195 S CB -0.578 62.610 63.200 -0.019 0.000 1.022 195 S HN 1.552 nan 8.310 nan 0.000 0.571 196 C N -0.288 118.999 119.300 -0.022 0.000 2.401 196 C HA 0.752 5.212 4.460 0.000 0.000 0.356 196 C C -0.139 174.843 174.990 -0.013 0.000 1.192 196 C CA -1.033 57.969 59.018 -0.026 0.000 2.028 196 C CB -0.560 27.274 27.740 0.156 0.000 2.344 196 C HN 0.904 nan 8.230 nan 0.000 0.525 197 H N 0.179 119.338 119.070 0.148 0.000 2.525 197 H HA 0.618 5.174 4.556 0.000 0.000 0.339 197 H C -0.084 175.372 175.328 0.213 0.000 1.109 197 H CA -0.219 55.924 56.048 0.160 0.000 1.352 197 H CB 0.749 30.605 29.762 0.156 0.000 1.461 197 H HN 0.521 nan 8.280 nan 0.000 0.533 198 L N 3.485 124.846 121.223 0.229 0.000 2.332 198 L HA 0.330 4.670 4.340 0.000 0.000 0.269 198 L C -1.936 174.749 176.870 -0.308 0.000 1.016 198 L CA -2.269 52.542 54.840 -0.049 0.000 0.809 198 L CB 1.496 43.525 42.059 -0.051 0.000 1.280 198 L HN 0.507 nan 8.230 nan 0.000 0.447 199 P HA 0.077 nan 4.420 nan 0.000 0.220 199 P C -1.267 175.702 177.300 -0.552 0.000 1.778 199 P CA 0.013 62.418 63.100 -1.159 0.000 0.912 199 P CB -0.050 30.558 31.700 -1.820 0.000 1.861 200 Q N -1.329 118.360 119.800 -0.184 0.000 2.647 200 Q HA 0.296 4.636 4.340 0.000 0.000 0.283 200 Q C -1.401 174.609 176.000 0.017 0.000 0.943 200 Q CA -0.918 54.856 55.803 -0.049 0.000 0.813 200 Q CB 1.195 29.876 28.738 -0.095 0.000 1.477 200 Q HN 0.082 nan 8.270 nan 0.000 0.393 201 E N 1.817 122.039 120.200 0.037 0.000 2.344 201 E HA 0.349 4.699 4.350 0.000 0.000 0.270 201 E C -0.383 176.231 176.600 0.024 0.000 1.021 201 E CA 0.367 56.787 56.400 0.033 0.000 0.887 201 E CB 0.914 30.632 29.700 0.029 0.000 0.997 201 E HN 0.670 nan 8.360 nan 0.000 0.429 202 T N -0.702 113.870 114.554 0.030 0.000 2.883 202 T HA 0.171 4.521 4.350 0.000 0.000 0.296 202 T C 0.496 175.215 174.700 0.032 0.000 1.117 202 T CA -0.958 61.161 62.100 0.031 0.000 1.006 202 T CB 1.738 70.632 68.868 0.044 0.000 1.191 202 T HN 0.205 nan 8.240 nan 0.000 0.508 203 D N 1.216 121.634 120.400 0.030 0.000 2.240 203 D HA -0.021 4.619 4.640 0.000 0.000 0.204 203 D C 0.998 177.317 176.300 0.032 0.000 1.018 203 D CA 1.999 56.016 54.000 0.028 0.000 0.887 203 D CB -0.286 40.531 40.800 0.028 0.000 1.087 203 D HN 0.857 nan 8.370 nan 0.000 0.464 204 A N -0.419 122.425 122.820 0.039 0.000 2.387 204 A HA 0.655 4.976 4.320 0.000 0.000 0.298 204 A C -0.205 177.415 177.584 0.059 0.000 1.165 204 A CA 0.032 52.096 52.037 0.044 0.000 0.814 204 A CB 1.140 20.165 19.000 0.041 0.000 1.357 204 A HN 0.290 nan 8.150 nan 0.000 0.443 205 A N 0.273 123.131 122.820 0.064 0.000 2.532 205 A HA 0.458 4.778 4.320 0.000 0.000 0.248 205 A C -2.111 175.517 177.584 0.073 0.000 1.118 205 A CA -0.100 51.989 52.037 0.086 0.000 0.805 205 A CB -1.300 17.740 19.000 0.067 0.000 1.068 205 A HN 0.590 nan 8.150 nan 0.000 0.518 206 P HA 0.295 nan 4.420 nan 0.000 0.272 206 P C -0.019 177.284 177.300 0.005 0.000 1.223 206 P CA -0.409 62.700 63.100 0.014 0.000 0.784 206 P CB 0.375 32.028 31.700 -0.079 0.000 0.923 207 R N 2.035 122.527 120.500 -0.012 0.000 2.619 207 R HA 0.085 4.425 4.340 0.000 0.000 0.268 207 R C -0.451 175.798 176.300 -0.086 0.000 0.990 207 R CA 0.808 56.870 56.100 -0.063 0.000 1.092 207 R CB -0.147 30.105 30.300 -0.079 0.000 0.935 207 R HN 0.650 nan 8.270 nan 0.000 0.415 208 H N 1.821 120.689 119.070 -0.337 0.000 3.123 208 H HA 0.281 4.838 4.556 0.000 0.000 0.346 208 H C -1.735 173.387 175.328 -0.343 0.000 1.138 208 H CA -0.814 55.045 56.048 -0.314 0.000 1.273 208 H CB 0.873 30.559 29.762 -0.126 0.000 1.926 208 H HN 0.688 nan 8.280 nan 0.000 0.524 209 H N 4.926 123.672 119.070 -0.540 0.000 2.736 209 H HA 0.269 4.825 4.556 0.000 0.000 0.271 209 H C -2.572 172.358 175.328 -0.664 0.000 1.184 209 H CA -2.426 53.362 56.048 -0.434 0.000 1.378 209 H CB 0.733 30.439 29.762 -0.094 0.000 1.428 209 H HN 0.450 nan 8.280 nan 0.000 0.500 210 P HA -0.067 nan 4.420 nan 0.000 0.255 210 P C 1.245 178.238 177.300 -0.512 0.000 1.161 210 P CA 1.496 64.325 63.100 -0.451 0.000 0.768 210 P CB 0.304 31.867 31.700 -0.227 0.000 0.746 211 G N 1.805 110.439 108.800 -0.277 0.000 2.284 211 G HA2 -0.262 3.698 3.960 0.000 0.000 0.261 211 G HA3 -0.262 3.698 3.960 0.000 0.000 0.261 211 G C 0.146 174.984 174.900 -0.104 0.000 0.997 211 G CA 0.231 45.204 45.100 -0.212 0.000 0.621 211 G HN 0.686 nan 8.290 nan 0.000 0.534 212 H N -0.042 119.031 119.070 0.005 0.000 2.649 212 H HA 0.781 5.337 4.556 0.000 0.000 0.337 212 H C 0.285 175.648 175.328 0.057 0.000 1.282 212 H CA -0.584 55.476 56.048 0.021 0.000 1.333 212 H CB 1.742 31.499 29.762 -0.008 0.000 1.787 212 H HN 0.669 nan 8.280 nan 0.000 0.632 213 A N 0.729 123.673 122.820 0.207 0.000 2.398 213 A HA 0.299 4.619 4.320 0.000 0.000 0.301 213 A C -0.885 176.778 177.584 0.131 0.000 1.041 213 A CA -0.672 51.451 52.037 0.144 0.000 0.711 213 A CB 1.292 20.346 19.000 0.090 0.000 1.240 213 A HN 0.779 nan 8.150 nan 0.000 0.420 214 E N 1.949 122.246 120.200 0.162 0.000 2.229 214 E HA 0.467 4.817 4.350 0.000 0.000 0.283 214 E C -1.188 175.430 176.600 0.029 0.000 1.030 214 E CA -0.388 56.094 56.400 0.137 0.000 0.836 214 E CB 0.813 30.642 29.700 0.213 0.000 1.068 214 E HN 0.609 nan 8.360 nan 0.000 0.401 215 L N 4.417 125.642 121.223 0.005 0.000 2.289 215 L HA 0.509 4.849 4.340 0.000 0.000 0.285 215 L C 0.688 177.546 176.870 -0.022 0.000 1.049 215 L CA 0.695 55.517 54.840 -0.030 0.000 0.804 215 L CB 1.187 43.227 42.059 -0.031 0.000 1.195 215 L HN 0.840 nan 8.230 nan 0.000 0.428 216 G N 4.038 112.816 108.800 -0.037 0.000 2.149 216 G HA2 -0.330 3.630 3.960 0.000 0.000 0.235 216 G HA3 -0.330 3.630 3.960 0.000 0.000 0.235 216 G C 0.124 175.018 174.900 -0.010 0.000 1.018 216 G CA 0.291 45.378 45.100 -0.022 0.000 0.728 216 G HN 0.646 nan 8.290 nan 0.000 0.508 217 M N 1.735 121.325 119.600 -0.016 0.000 2.268 217 M HA 0.511 4.991 4.480 0.000 0.000 0.349 217 M C 1.205 177.497 176.300 -0.012 0.000 1.485 217 M CA 0.829 56.127 55.300 -0.004 0.000 1.094 217 M CB 0.299 32.895 32.600 -0.008 0.000 1.843 217 M HN 0.475 nan 8.290 nan 0.000 0.460 218 G N 4.659 113.462 108.800 0.005 0.000 2.554 218 G HA2 0.239 4.199 3.960 0.000 0.000 0.238 218 G HA3 0.239 4.199 3.960 0.000 0.000 0.238 218 G C 0.791 175.646 174.900 -0.074 0.000 1.259 218 G CA -0.418 44.691 45.100 0.015 0.000 0.843 218 G HN 1.077 nan 8.290 nan 0.000 0.582 219 I N -1.587 118.895 120.570 -0.148 0.000 2.916 219 I HA -0.030 4.140 4.170 0.000 0.000 0.267 219 I C 1.528 177.313 176.117 -0.553 0.000 1.263 219 I CA 0.962 62.097 61.300 -0.275 0.000 1.471 219 I CB -0.270 37.486 38.000 -0.406 0.000 1.089 219 I HN 0.496 nan 8.210 nan 0.000 0.468 220 H N 1.482 120.321 119.070 -0.384 0.000 2.548 220 H HA 0.346 4.902 4.556 0.000 0.000 0.265 220 H C 1.637 176.575 175.328 -0.650 0.000 0.969 220 H CA 0.718 56.237 56.048 -0.881 0.000 1.155 220 H CB 0.561 30.027 29.762 -0.494 0.000 1.394 220 H HN 0.568 nan 8.280 nan 0.000 0.570 221 G N 0.572 109.233 108.800 -0.233 0.000 2.163 221 G HA2 -0.262 3.698 3.960 0.000 0.000 0.213 221 G HA3 -0.262 3.698 3.960 0.000 0.000 0.213 221 G C -0.068 174.822 174.900 -0.018 0.000 0.991 221 G CA -0.196 44.853 45.100 -0.084 0.000 0.653 221 G HN 0.386 nan 8.290 nan 0.000 0.518 222 E N 1.383 121.586 120.200 0.005 0.000 2.461 222 E HA 0.329 4.679 4.350 0.000 0.000 0.263 222 E C -1.782 174.839 176.600 0.035 0.000 1.143 222 E CA -0.108 56.316 56.400 0.040 0.000 0.994 222 E CB 0.459 30.209 29.700 0.083 0.000 0.973 222 E HN 0.313 nan 8.360 nan 0.000 0.457 223 P HA 0.051 nan 4.420 nan 0.000 0.276 223 P C -0.073 177.253 177.300 0.042 0.000 1.230 223 P CA -0.046 63.084 63.100 0.050 0.000 0.776 223 P CB 1.068 32.798 31.700 0.051 0.000 0.888 224 G N 1.872 110.699 108.800 0.045 0.000 2.514 224 G HA2 0.370 4.330 3.960 0.000 0.000 0.245 224 G HA3 0.370 4.330 3.960 0.000 0.000 0.245 224 G C 0.888 175.798 174.900 0.017 0.000 1.488 224 G CA 0.248 45.364 45.100 0.027 0.000 1.063 224 G HN 0.494 nan 8.290 nan 0.000 0.557 225 A N -1.199 121.623 122.820 0.005 0.000 1.922 225 A HA 0.502 4.822 4.320 0.000 0.000 0.216 225 A C 1.678 179.254 177.584 -0.014 0.000 1.370 225 A CA 1.689 53.723 52.037 -0.005 0.000 0.627 225 A CB -0.765 18.229 19.000 -0.010 0.000 1.060 225 A HN 0.903 nan 8.150 nan 0.000 0.487 226 S N -2.091 113.597 115.700 -0.021 0.000 2.776 226 S HA 0.634 5.104 4.470 0.000 0.000 0.306 226 S C -1.153 173.417 174.600 -0.050 0.000 1.114 226 S CA -0.302 57.873 58.200 -0.040 0.000 0.973 226 S CB 1.433 64.609 63.200 -0.041 0.000 1.250 226 S HN 0.562 nan 8.310 nan 0.000 0.549 227 V N 2.084 121.948 119.914 -0.083 0.000 2.567 227 V HA 0.434 4.554 4.120 0.000 0.000 0.298 227 V C -0.673 175.357 176.094 -0.107 0.000 1.047 227 V CA -0.561 61.676 62.300 -0.105 0.000 0.880 227 V CB 1.324 33.011 31.823 -0.227 0.000 1.009 227 V HN 0.773 nan 8.190 nan 0.000 0.429 228 I N 4.307 124.844 120.570 -0.054 0.000 2.474 228 I HA 0.200 4.370 4.170 0.000 0.000 0.287 228 I C 1.161 177.224 176.117 -0.090 0.000 1.048 228 I CA -0.272 60.996 61.300 -0.053 0.000 1.383 228 I CB 0.990 38.989 38.000 -0.002 0.000 1.412 228 I HN 0.775 nan 8.210 nan 0.000 0.531 229 D N 3.039 123.354 120.400 -0.143 0.000 2.348 229 D HA -0.042 4.598 4.640 0.000 0.000 0.248 229 D C 0.435 176.763 176.300 0.046 0.000 1.142 229 D CA 0.272 54.139 54.000 -0.221 0.000 0.904 229 D CB 0.103 40.787 40.800 -0.193 0.000 0.901 229 D HN 0.559 nan 8.370 nan 0.000 0.523 230 T N -1.372 113.240 114.554 0.097 0.000 2.762 230 T HA 0.276 4.626 4.350 0.000 0.000 0.301 230 T C -0.794 173.979 174.700 0.121 0.000 1.299 230 T CA -0.504 61.672 62.100 0.127 0.000 1.005 230 T CB 1.851 70.764 68.868 0.075 0.000 1.377 230 T HN -0.097 nan 8.240 nan 0.000 0.504 231 Q N 0.443 120.305 119.800 0.104 0.000 2.164 231 Q HA 0.289 4.629 4.340 0.000 0.000 0.226 231 Q C 0.222 176.278 176.000 0.095 0.000 0.813 231 Q CA -0.276 55.589 55.803 0.102 0.000 0.978 231 Q CB 0.396 29.190 28.738 0.094 0.000 1.149 231 Q HN 0.594 nan 8.270 nan 0.000 0.489 232 N N 0.989 119.737 118.700 0.079 0.000 2.414 232 N HA -0.084 4.656 4.740 0.000 0.000 0.268 232 N C 0.925 176.482 175.510 0.078 0.000 1.286 232 N CA 0.689 53.779 53.050 0.067 0.000 0.896 232 N CB 1.004 39.522 38.487 0.052 0.000 1.093 232 N HN 0.295 nan 8.380 nan 0.000 0.480 233 S N 4.714 120.457 115.700 0.071 0.000 2.377 233 S HA -0.285 4.185 4.470 0.000 0.000 0.224 233 S C 2.002 176.639 174.600 0.063 0.000 1.042 233 S CA 1.489 59.731 58.200 0.071 0.000 1.086 233 S CB -0.878 62.337 63.200 0.026 0.000 0.995 233 S HN 0.686 nan 8.310 nan 0.000 0.428 234 A N 1.889 124.731 122.820 0.036 0.000 1.869 234 A HA -0.249 4.071 4.320 0.000 0.000 0.218 234 A C 2.424 180.034 177.584 0.043 0.000 1.203 234 A CA 2.156 54.210 52.037 0.029 0.000 0.638 234 A CB -1.292 17.718 19.000 0.017 0.000 0.831 234 A HN 0.725 nan 8.150 nan 0.000 0.450 235 Q N -0.796 119.030 119.800 0.044 0.000 1.985 235 Q HA -0.178 4.162 4.340 0.000 0.000 0.207 235 Q C 2.218 178.253 176.000 0.060 0.000 0.996 235 Q CA 2.042 57.871 55.803 0.043 0.000 0.851 235 Q CB -0.568 28.193 28.738 0.039 0.000 0.921 235 Q HN 0.469 nan 8.270 nan 0.000 0.418 236 V N 0.435 120.398 119.914 0.083 0.000 2.282 236 V HA -0.279 3.841 4.120 0.000 0.000 0.249 236 V C 2.296 178.476 176.094 0.143 0.000 1.057 236 V CA 1.769 64.133 62.300 0.108 0.000 1.032 236 V CB -0.576 31.334 31.823 0.145 0.000 0.645 236 V HN 0.226 nan 8.190 nan 0.000 0.447 237 V N 0.319 120.336 119.914 0.172 0.000 2.343 237 V HA -0.238 3.882 4.120 0.000 0.000 0.247 237 V C 2.329 178.487 176.094 0.107 0.000 1.051 237 V CA 2.096 64.504 62.300 0.180 0.000 1.036 237 V CB -0.878 31.011 31.823 0.110 0.000 0.654 237 V HN 0.564 nan 8.190 nan 0.000 0.451 238 N N 0.394 119.136 118.700 0.070 0.000 2.043 238 N HA -0.177 4.564 4.740 0.000 0.000 0.193 238 N C 1.800 177.335 175.510 0.042 0.000 1.037 238 N CA 1.804 54.881 53.050 0.046 0.000 0.851 238 N CB -0.733 37.773 38.487 0.032 0.000 1.027 238 N HN 0.436 nan 8.380 nan 0.000 0.422 239 L N 1.170 122.417 121.223 0.040 0.000 2.021 239 L HA -0.150 4.190 4.340 0.000 0.000 0.215 239 L C 2.111 178.998 176.870 0.028 0.000 1.074 239 L CA 1.713 56.569 54.840 0.027 0.000 0.760 239 L CB -0.884 41.188 42.059 0.022 0.000 0.889 239 L HN 0.167 nan 8.230 nan 0.000 0.433 240 M N -1.373 118.256 119.600 0.048 0.000 2.108 240 M HA -0.204 4.276 4.480 0.000 0.000 0.261 240 M C 2.096 178.424 176.300 0.046 0.000 1.066 240 M CA 1.957 57.286 55.300 0.049 0.000 1.107 240 M CB -0.580 32.073 32.600 0.088 0.000 1.356 240 M HN 0.254 nan 8.290 nan 0.000 0.406 241 V N 0.426 120.372 119.914 0.052 0.000 2.287 241 V HA -0.289 3.831 4.120 0.000 0.000 0.248 241 V C 1.882 177.983 176.094 0.012 0.000 1.053 241 V CA 1.905 64.227 62.300 0.037 0.000 1.027 241 V CB -0.890 30.956 31.823 0.039 0.000 0.646 241 V HN 0.407 nan 8.190 nan 0.000 0.447 242 D N 0.540 120.946 120.400 0.009 0.000 2.108 242 D HA -0.193 4.447 4.640 0.000 0.000 0.190 242 D C 2.196 178.485 176.300 -0.018 0.000 0.995 242 D CA 1.530 55.526 54.000 -0.006 0.000 0.834 242 D CB -0.351 40.447 40.800 -0.004 0.000 0.967 242 D HN 0.431 nan 8.370 nan 0.000 0.446 243 K N 0.233 120.627 120.400 -0.010 0.000 2.286 243 K HA -0.114 4.206 4.320 0.000 0.000 0.203 243 K C 2.287 178.871 176.600 -0.027 0.000 1.045 243 K CA 0.369 56.647 56.287 -0.016 0.000 0.935 243 K CB -0.064 32.433 32.500 -0.005 0.000 0.737 243 K HN 0.212 nan 8.250 nan 0.000 0.460 244 L N 0.501 121.711 121.223 -0.021 0.000 2.102 244 L HA -0.071 4.269 4.340 0.000 0.000 0.202 244 L C 2.234 179.041 176.870 -0.106 0.000 1.076 244 L CA 0.575 55.392 54.840 -0.038 0.000 0.761 244 L CB -0.058 42.004 42.059 0.006 0.000 0.921 244 L HN 0.146 nan 8.230 nan 0.000 0.444 245 L N -0.564 120.614 121.223 -0.075 0.000 2.131 245 L HA -0.178 4.162 4.340 0.000 0.000 0.210 245 L C 2.641 179.441 176.870 -0.117 0.000 1.092 245 L CA 0.974 55.759 54.840 -0.092 0.000 0.759 245 L CB -0.494 41.534 42.059 -0.052 0.000 0.903 245 L HN 0.271 nan 8.230 nan 0.000 0.435 246 A N -0.433 122.329 122.820 -0.097 0.000 2.070 246 A HA -0.027 4.293 4.320 0.000 0.000 0.220 246 A C 2.009 179.512 177.584 -0.135 0.000 1.159 246 A CA 1.592 53.574 52.037 -0.091 0.000 0.656 246 A CB -0.339 18.626 19.000 -0.059 0.000 0.800 246 A HN 0.409 nan 8.150 nan 0.000 0.453 247 A N -1.439 121.249 122.820 -0.220 0.000 2.508 247 A HA 0.621 4.941 4.320 0.000 0.000 0.257 247 A C 0.289 177.441 177.584 -0.720 0.000 1.226 247 A CA -0.280 51.550 52.037 -0.346 0.000 0.947 247 A CB 0.086 18.934 19.000 -0.254 0.000 1.079 247 A HN 0.320 nan 8.150 nan 0.000 0.531 248 L N 0.578 121.475 121.223 -0.543 0.000 2.330 248 L HA 0.455 4.795 4.340 0.000 0.000 0.271 248 L C -2.304 174.410 176.870 -0.260 0.000 1.013 248 L CA -2.367 52.153 54.840 -0.533 0.000 0.816 248 L CB 1.524 43.369 42.059 -0.356 0.000 1.287 248 L HN -0.002 nan 8.230 nan 0.000 0.435 249 P HA -0.089 nan 4.420 nan 0.000 0.267 249 P C 0.222 177.478 177.300 -0.073 0.000 1.195 249 P CA -0.019 63.030 63.100 -0.084 0.000 0.773 249 P CB 0.406 32.084 31.700 -0.037 0.000 0.837 250 E N 0.445 120.615 120.200 -0.050 0.000 2.347 250 E HA -0.066 4.284 4.350 0.000 0.000 0.196 250 E C -0.032 176.551 176.600 -0.030 0.000 1.008 250 E CA 0.627 57.003 56.400 -0.040 0.000 0.852 250 E CB -0.126 29.556 29.700 -0.030 0.000 0.783 250 E HN 0.526 nan 8.360 nan 0.000 0.505 251 T N -2.698 111.842 114.554 -0.023 0.000 2.923 251 T HA 0.655 5.005 4.350 0.000 0.000 0.311 251 T C -0.207 174.489 174.700 -0.006 0.000 1.183 251 T CA -0.340 61.752 62.100 -0.013 0.000 1.020 251 T CB 2.063 70.928 68.868 -0.006 0.000 1.165 251 T HN 0.407 nan 8.240 nan 0.000 0.482 252 G N 1.797 110.597 108.800 -0.001 0.000 2.312 252 G HA2 0.369 4.329 3.960 0.000 0.000 0.322 252 G HA3 0.369 4.329 3.960 0.000 0.000 0.322 252 G C -1.131 173.777 174.900 0.014 0.000 1.645 252 G CA -1.240 43.867 45.100 0.012 0.000 0.919 252 G HN 0.728 nan 8.290 nan 0.000 0.699 253 R N -0.294 120.223 120.500 0.027 0.000 2.707 253 R HA 0.790 5.130 4.340 0.000 0.000 0.270 253 R C 0.299 176.635 176.300 0.061 0.000 1.083 253 R CA -0.250 55.871 56.100 0.035 0.000 1.182 253 R CB 0.434 30.765 30.300 0.053 0.000 1.084 253 R HN 1.166 nan 8.270 nan 0.000 0.528 254 L N -2.801 118.469 121.223 0.079 0.000 2.775 254 L HA 0.763 5.104 4.340 0.000 0.000 0.263 254 L C -1.016 175.949 176.870 0.158 0.000 1.017 254 L CA -1.351 53.552 54.840 0.106 0.000 0.891 254 L CB 1.056 43.158 42.059 0.072 0.000 1.482 254 L HN 0.601 nan 8.230 nan 0.000 0.410 255 A N 0.573 123.495 122.820 0.170 0.000 2.337 255 A HA 0.932 5.252 4.320 0.000 0.000 0.329 255 A C -0.857 176.808 177.584 0.135 0.000 1.146 255 A CA -0.756 51.405 52.037 0.207 0.000 0.800 255 A CB 1.586 20.696 19.000 0.184 0.000 1.220 255 A HN 0.714 nan 8.150 nan 0.000 0.472 256 V N 2.984 122.974 119.914 0.127 0.000 2.495 256 V HA 0.495 4.615 4.120 0.000 0.000 0.298 256 V C -0.144 175.999 176.094 0.081 0.000 1.031 256 V CA -0.320 62.037 62.300 0.095 0.000 0.871 256 V CB 1.598 33.470 31.823 0.082 0.000 0.988 256 V HN 0.967 nan 8.190 nan 0.000 0.432 257 M N 6.343 125.985 119.600 0.069 0.000 2.066 257 M HA 0.576 5.056 4.480 0.000 0.000 0.340 257 M C -1.225 175.110 176.300 0.059 0.000 1.053 257 M CA -0.369 54.959 55.300 0.047 0.000 0.983 257 M CB 0.761 33.382 32.600 0.035 0.000 1.520 257 M HN 0.552 nan 8.290 nan 0.000 0.428 258 I N 4.745 125.342 120.570 0.045 0.000 2.291 258 I HA 0.204 4.374 4.170 0.000 0.000 0.292 258 I C -0.311 175.846 176.117 0.066 0.000 1.064 258 I CA -0.478 60.857 61.300 0.058 0.000 1.269 258 I CB 0.401 38.405 38.000 0.006 0.000 1.418 258 I HN 0.680 nan 8.210 nan 0.000 0.485 259 N N 5.740 124.509 118.700 0.114 0.000 2.438 259 N HA 0.137 4.877 4.740 0.000 0.000 0.282 259 N C -0.467 175.134 175.510 0.152 0.000 1.037 259 N CA -0.409 52.708 53.050 0.111 0.000 0.942 259 N CB 0.936 39.482 38.487 0.098 0.000 1.136 259 N HN 0.410 nan 8.380 nan 0.000 0.481 260 N N 4.875 123.646 118.700 0.119 0.000 2.420 260 N HA 0.090 4.830 4.740 0.000 0.000 0.249 260 N C 0.465 176.047 175.510 0.119 0.000 1.033 260 N CA -0.350 52.778 53.050 0.130 0.000 0.944 260 N CB 0.541 39.080 38.487 0.088 0.000 1.113 260 N HN 0.542 nan 8.380 nan 0.000 0.502 261 L N 3.121 124.419 121.223 0.125 0.000 2.549 261 L HA 0.009 4.349 4.340 0.000 0.000 0.230 261 L C 1.669 178.603 176.870 0.105 0.000 1.162 261 L CA 1.596 56.498 54.840 0.103 0.000 0.834 261 L CB -1.446 40.659 42.059 0.077 0.000 0.947 261 L HN 0.926 nan 8.230 nan 0.000 0.452 262 G N -1.727 107.130 108.800 0.095 0.000 2.617 262 G HA2 -0.168 3.792 3.960 0.000 0.000 0.197 262 G HA3 -0.168 3.792 3.960 0.000 0.000 0.197 262 G C 0.981 175.921 174.900 0.066 0.000 1.017 262 G CA -0.111 45.038 45.100 0.082 0.000 0.713 262 G HN 0.398 nan 8.290 nan 0.000 0.481 263 G N 0.348 109.187 108.800 0.065 0.000 3.651 263 G HA2 0.532 4.492 3.960 0.000 0.000 0.279 263 G HA3 0.532 4.492 3.960 0.000 0.000 0.279 263 G C 0.063 174.997 174.900 0.058 0.000 1.024 263 G CA 0.634 45.766 45.100 0.052 0.000 0.813 263 G HN 0.843 nan 8.290 nan 0.000 0.518 264 V N 1.922 121.881 119.914 0.074 0.000 2.509 264 V HA 0.446 4.566 4.120 0.000 0.000 0.284 264 V C 0.857 176.983 176.094 0.053 0.000 1.047 264 V CA -0.851 61.496 62.300 0.079 0.000 0.952 264 V CB 1.380 33.274 31.823 0.119 0.000 0.988 264 V HN 0.413 nan 8.190 nan 0.000 0.469 265 S N 3.335 119.060 115.700 0.042 0.000 2.579 265 S HA 0.168 4.638 4.470 0.000 0.000 0.275 265 S C 1.146 175.755 174.600 0.016 0.000 1.345 265 S CA -0.511 57.705 58.200 0.026 0.000 1.031 265 S CB 1.258 64.471 63.200 0.021 0.000 0.892 265 S HN 0.446 nan 8.310 nan 0.000 0.529 266 V N 2.531 122.451 119.914 0.010 0.000 2.392 266 V HA -0.214 3.906 4.120 0.000 0.000 0.249 266 V C 2.946 179.035 176.094 -0.009 0.000 1.059 266 V CA 2.237 64.537 62.300 0.000 0.000 1.051 266 V CB -2.051 29.772 31.823 -0.001 0.000 0.658 266 V HN 1.031 nan 8.190 nan 0.000 0.455 267 A N -0.039 122.777 122.820 -0.006 0.000 1.865 267 A HA -0.272 4.048 4.320 0.000 0.000 0.217 267 A C 2.215 179.787 177.584 -0.020 0.000 1.191 267 A CA 2.079 54.110 52.037 -0.011 0.000 0.623 267 A CB -0.558 18.439 19.000 -0.005 0.000 0.826 267 A HN 0.613 nan 8.150 nan 0.000 0.444 268 E N -0.894 119.299 120.200 -0.011 0.000 2.058 268 E HA -0.204 4.146 4.350 0.000 0.000 0.194 268 E C 2.124 178.686 176.600 -0.063 0.000 0.997 268 E CA 1.438 57.827 56.400 -0.018 0.000 0.801 268 E CB -0.268 29.442 29.700 0.016 0.000 0.746 268 E HN 0.444 nan 8.360 nan 0.000 0.450 269 M N 0.258 119.824 119.600 -0.056 0.000 2.144 269 M HA -0.196 4.284 4.480 0.000 0.000 0.260 269 M C 2.368 178.600 176.300 -0.113 0.000 1.067 269 M CA 1.400 56.641 55.300 -0.098 0.000 1.095 269 M CB -0.990 31.583 32.600 -0.045 0.000 1.365 269 M HN 0.157 nan 8.290 nan 0.000 0.406 270 A N 0.176 122.952 122.820 -0.073 0.000 1.873 270 A HA -0.108 4.212 4.320 0.000 0.000 0.215 270 A C 2.224 179.762 177.584 -0.077 0.000 1.186 270 A CA 1.182 53.181 52.037 -0.064 0.000 0.616 270 A CB -0.709 18.267 19.000 -0.041 0.000 0.823 270 A HN 0.446 nan 8.150 nan 0.000 0.442 271 I N -0.081 120.444 120.570 -0.075 0.000 2.163 271 I HA -0.291 3.879 4.170 0.000 0.000 0.243 271 I C 2.247 178.298 176.117 -0.110 0.000 1.085 271 I CA 1.573 62.829 61.300 -0.072 0.000 1.347 271 I CB -0.427 37.541 38.000 -0.053 0.000 1.044 271 I HN 0.299 nan 8.210 nan 0.000 0.408 272 I N 0.431 120.892 120.570 -0.183 0.000 2.399 272 I HA -0.289 3.881 4.170 0.000 0.000 0.254 272 I C 2.383 178.366 176.117 -0.223 0.000 1.146 272 I CA 1.474 62.594 61.300 -0.301 0.000 1.412 272 I CB -0.639 36.963 38.000 -0.663 0.000 1.076 272 I HN 0.294 nan 8.210 nan 0.000 0.432 273 T N 0.035 114.493 114.554 -0.160 0.000 2.857 273 T HA -0.113 4.237 4.350 0.000 0.000 0.266 273 T C 2.090 176.750 174.700 -0.067 0.000 1.048 273 T CA 0.720 62.760 62.100 -0.099 0.000 1.139 273 T CB -0.189 68.636 68.868 -0.071 0.000 0.874 273 T HN 0.238 nan 8.240 nan 0.000 0.455 274 R N 1.338 121.797 120.500 -0.067 0.000 2.115 274 R HA -0.063 4.277 4.340 0.000 0.000 0.230 274 R C 1.897 178.166 176.300 -0.051 0.000 1.111 274 R CA 1.225 57.293 56.100 -0.054 0.000 0.976 274 R CB -0.281 29.989 30.300 -0.050 0.000 0.870 274 R HN 0.329 nan 8.270 nan 0.000 0.445 275 E N 1.031 121.197 120.200 -0.057 0.000 2.031 275 E HA -0.197 4.153 4.350 0.000 0.000 0.193 275 E C 2.064 178.650 176.600 -0.023 0.000 0.994 275 E CA 1.055 57.431 56.400 -0.039 0.000 0.800 275 E CB -0.591 29.083 29.700 -0.042 0.000 0.752 275 E HN 0.353 nan 8.360 nan 0.000 0.447 276 L N 0.311 121.518 121.223 -0.027 0.000 2.201 276 L HA -0.047 4.293 4.340 0.000 0.000 0.212 276 L C 2.172 179.057 176.870 0.025 0.000 1.105 276 L CA 1.364 56.208 54.840 0.007 0.000 0.775 276 L CB -0.152 41.910 42.059 0.006 0.000 0.913 276 L HN 0.031 nan 8.230 nan 0.000 0.440 277 A N -0.872 121.949 122.820 0.002 0.000 1.930 277 A HA -0.122 4.198 4.320 0.000 0.000 0.217 277 A C 2.182 179.724 177.584 -0.070 0.000 1.175 277 A CA 1.746 53.784 52.037 0.001 0.000 0.627 277 A CB -0.551 18.426 19.000 -0.039 0.000 0.815 277 A HN 0.489 nan 8.150 nan 0.000 0.443 278 S N -0.057 115.603 115.700 -0.067 0.000 2.634 278 S HA 0.149 4.619 4.470 0.000 0.000 0.221 278 S C 0.819 175.406 174.600 -0.022 0.000 0.952 278 S CA 0.355 58.508 58.200 -0.078 0.000 0.930 278 S CB -0.320 62.841 63.200 -0.065 0.000 0.780 278 S HN 0.593 nan 8.310 nan 0.000 0.498 279 S N 2.085 117.794 115.700 0.015 0.000 2.592 279 S HA 0.243 4.713 4.470 0.000 0.000 0.271 279 S C -2.067 172.566 174.600 0.054 0.000 1.326 279 S CA -1.314 56.907 58.200 0.035 0.000 1.024 279 S CB 0.805 64.032 63.200 0.044 0.000 0.921 279 S HN -0.046 nan 8.310 nan 0.000 0.527 280 P HA -0.010 nan 4.420 nan 0.000 0.234 280 P C 0.855 178.181 177.300 0.042 0.000 1.162 280 P CA 0.372 63.494 63.100 0.036 0.000 0.759 280 P CB 0.085 31.796 31.700 0.019 0.000 0.813 281 L N -2.059 119.196 121.223 0.053 0.000 2.477 281 L HA 0.049 4.389 4.340 0.000 0.000 0.220 281 L C 2.180 179.080 176.870 0.050 0.000 1.106 281 L CA 1.145 56.009 54.840 0.041 0.000 0.851 281 L CB -1.019 41.063 42.059 0.038 0.000 0.994 281 L HN -0.017 nan 8.230 nan 0.000 0.462 282 H N 0.330 119.396 119.070 -0.006 0.000 2.265 282 H HA -0.226 4.330 4.556 0.000 0.000 0.293 282 H C 2.120 177.438 175.328 -0.017 0.000 1.089 282 H CA 2.248 58.289 56.048 -0.012 0.000 1.244 282 H CB -0.427 29.325 29.762 -0.016 0.000 1.355 282 H HN 0.474 nan 8.280 nan 0.000 0.485 283 S N -0.216 115.392 115.700 -0.152 0.000 2.559 283 S HA -0.144 4.326 4.470 0.000 0.000 0.250 283 S C 1.372 175.872 174.600 -0.167 0.000 0.977 283 S CA 1.352 59.442 58.200 -0.185 0.000 0.958 283 S CB -0.245 62.942 63.200 -0.022 0.000 0.751 283 S HN 0.596 nan 8.310 nan 0.000 0.534 284 R N -0.336 120.070 120.500 -0.156 0.000 2.549 284 R HA 0.416 4.756 4.340 0.000 0.000 0.361 284 R C -0.619 175.629 176.300 -0.088 0.000 0.969 284 R CA -0.150 55.893 56.100 -0.095 0.000 1.158 284 R CB 0.506 30.778 30.300 -0.047 0.000 1.456 284 R HN 0.400 nan 8.270 nan 0.000 0.540 285 I N 1.955 122.439 120.570 -0.144 0.000 2.297 285 I HA 0.128 4.298 4.170 0.000 0.000 0.291 285 I C 0.126 176.151 176.117 -0.154 0.000 1.033 285 I CA -0.125 61.120 61.300 -0.091 0.000 1.253 285 I CB 1.295 39.260 38.000 -0.058 0.000 1.396 285 I HN -0.041 nan 8.210 nan 0.000 0.476 286 D N 4.924 125.246 120.400 -0.130 0.000 2.360 286 D HA 0.089 4.729 4.640 0.000 0.000 0.210 286 D C -0.579 175.265 176.300 -0.759 0.000 1.047 286 D CA 0.713 54.468 54.000 -0.409 0.000 0.854 286 D CB 0.365 40.958 40.800 -0.346 0.000 0.936 286 D HN 0.385 nan 8.370 nan 0.000 0.514 287 W N 0.291 121.590 121.300 -0.001 0.000 3.213 287 W HA 0.483 5.143 4.660 0.000 0.000 0.318 287 W C -0.948 175.577 176.519 0.010 0.000 1.248 287 W CA -0.716 56.636 57.345 0.012 0.000 1.187 287 W CB 1.297 30.773 29.460 0.027 0.000 1.403 287 W HN -0.403 nan 8.180 nan 0.000 0.556 288 L N 3.315 124.706 121.223 0.281 0.000 2.386 288 L HA 0.614 4.954 4.340 0.000 0.000 0.271 288 L C -0.641 176.296 176.870 0.112 0.000 0.993 288 L CA -1.016 53.913 54.840 0.148 0.000 0.819 288 L CB 1.799 43.912 42.059 0.089 0.000 1.294 288 L HN 0.393 nan 8.230 nan 0.000 0.414 289 I N 3.141 123.739 120.570 0.048 0.000 2.502 289 I HA 0.622 4.792 4.170 0.000 0.000 0.276 289 I C 0.387 176.475 176.117 -0.048 0.000 1.057 289 I CA -0.253 61.020 61.300 -0.044 0.000 1.163 289 I CB 1.235 39.184 38.000 -0.085 0.000 1.288 289 I HN 0.810 nan 8.210 nan 0.000 0.479 290 G N 6.118 114.890 108.800 -0.046 0.000 2.334 290 G HA2 0.015 3.975 3.960 0.000 0.000 0.315 290 G HA3 0.015 3.975 3.960 0.000 0.000 0.315 290 G C -3.233 171.655 174.900 -0.019 0.000 1.284 290 G CA -1.055 44.026 45.100 -0.033 0.000 0.985 290 G HN 0.265 nan 8.290 nan 0.000 0.504 291 P HA 0.556 nan 4.420 nan 0.000 0.269 291 P C 0.023 177.317 177.300 -0.011 0.000 1.209 291 P CA 1.024 64.114 63.100 -0.018 0.000 0.776 291 P CB 1.312 32.993 31.700 -0.031 0.000 0.876 292 A N 1.168 123.991 122.820 0.006 0.000 2.569 292 A HA 0.501 4.821 4.320 0.000 0.000 0.292 292 A C -1.007 176.602 177.584 0.042 0.000 1.032 292 A CA -0.557 51.487 52.037 0.012 0.000 0.669 292 A CB 0.499 19.492 19.000 -0.011 0.000 1.290 292 A HN 0.252 nan 8.150 nan 0.000 0.422 293 S N 1.105 116.834 115.700 0.049 0.000 2.409 293 S HA 0.479 4.949 4.470 0.000 0.000 0.308 293 S C 0.748 175.411 174.600 0.104 0.000 1.080 293 S CA -0.374 57.871 58.200 0.075 0.000 1.081 293 S CB -0.165 63.073 63.200 0.064 0.000 1.009 293 S HN 0.516 nan 8.310 nan 0.000 0.502 294 L N 2.701 124.011 121.223 0.144 0.000 2.435 294 L HA 0.370 4.710 4.340 0.000 0.000 0.195 294 L C -0.096 176.935 176.870 0.269 0.000 1.072 294 L CA 0.201 55.201 54.840 0.267 0.000 0.833 294 L CB 0.099 42.311 42.059 0.254 0.000 1.081 294 L HN 0.329 nan 8.230 nan 0.000 0.485 295 V N 1.311 121.317 119.914 0.152 0.000 2.327 295 V HA 0.244 4.364 4.120 0.000 0.000 0.272 295 V C 0.134 176.291 176.094 0.104 0.000 1.019 295 V CA -0.463 61.897 62.300 0.100 0.000 0.814 295 V CB 0.973 32.795 31.823 -0.002 0.000 1.040 295 V HN 0.385 nan 8.190 nan 0.000 0.440 296 T N 1.190 115.844 114.554 0.166 0.000 2.849 296 T HA 0.800 5.150 4.350 0.000 0.000 0.276 296 T C 0.185 175.077 174.700 0.321 0.000 0.971 296 T CA -0.196 62.015 62.100 0.185 0.000 0.949 296 T CB 2.118 71.078 68.868 0.154 0.000 1.093 296 T HN 0.855 nan 8.240 nan 0.000 0.545 297 A N 1.360 124.345 122.820 0.275 0.000 3.159 297 A HA 0.638 4.958 4.320 0.000 0.000 0.330 297 A C 0.665 178.436 177.584 0.311 0.000 1.032 297 A CA -0.790 51.470 52.037 0.371 0.000 0.841 297 A CB -1.034 18.091 19.000 0.209 0.000 1.093 297 A HN 1.059 nan 8.150 nan 0.000 0.478 298 L N -0.226 121.140 121.223 0.238 0.000 6.223 298 L HA -0.347 3.993 4.340 0.000 0.000 0.053 298 L C 1.208 178.152 176.870 0.123 0.000 2.244 298 L CA 1.785 56.720 54.840 0.158 0.000 1.647 298 L CB -0.454 41.723 42.059 0.197 0.000 2.769 298 L HN 0.783 nan 8.230 nan 0.000 1.016 299 D N 0.197 120.661 120.400 0.107 0.000 2.388 299 D HA 0.140 4.780 4.640 0.000 0.000 0.221 299 D C 0.699 177.021 176.300 0.036 0.000 1.133 299 D CA -0.107 53.931 54.000 0.064 0.000 0.831 299 D CB 0.165 41.002 40.800 0.061 0.000 0.962 299 D HN 0.478 nan 8.370 nan 0.000 0.502 300 M N 1.702 121.336 119.600 0.056 0.000 2.323 300 M HA -0.120 4.360 4.480 0.000 0.000 0.386 300 M C 0.304 176.623 176.300 0.032 0.000 1.525 300 M CA 0.356 55.674 55.300 0.030 0.000 0.914 300 M CB 0.500 33.134 32.600 0.056 0.000 2.042 300 M HN -0.215 nan 8.290 nan 0.000 0.483 301 K N 4.756 125.164 120.400 0.012 0.000 2.155 301 K HA 0.429 4.749 4.320 0.000 0.000 0.240 301 K C -0.547 176.087 176.600 0.056 0.000 1.193 301 K CA 0.040 56.351 56.287 0.041 0.000 1.104 301 K CB -0.229 32.288 32.500 0.028 0.000 1.558 301 K HN 0.794 nan 8.250 nan 0.000 0.313 302 G N 2.081 110.923 108.800 0.070 0.000 2.677 302 G HA2 0.559 4.519 3.960 0.000 0.000 0.291 302 G HA3 0.559 4.519 3.960 0.000 0.000 0.291 302 G C -1.619 173.347 174.900 0.110 0.000 1.435 302 G CA -0.993 44.123 45.100 0.027 0.000 0.826 302 G HN 0.370 nan 8.290 nan 0.000 0.491 303 F N -0.392 119.578 119.950 0.033 0.000 2.640 303 F HA 0.915 5.442 4.527 0.000 0.000 0.324 303 F C -0.084 175.734 175.800 0.029 0.000 1.077 303 F CA -1.213 56.805 58.000 0.031 0.000 0.965 303 F CB 1.952 40.969 39.000 0.029 0.000 1.351 303 F HN 0.783 nan 8.300 nan 0.000 0.487 304 S N 1.410 117.277 115.700 0.278 0.000 2.632 304 S HA 0.854 5.324 4.470 0.000 0.000 0.289 304 S C -1.760 172.993 174.600 0.255 0.000 1.115 304 S CA -0.777 57.509 58.200 0.144 0.000 0.889 304 S CB 1.796 65.031 63.200 0.060 0.000 1.116 304 S HN 0.875 nan 8.310 nan 0.000 0.486 305 L N 1.895 123.222 121.223 0.173 0.000 2.406 305 L HA 0.545 4.885 4.340 0.000 0.000 0.272 305 L C -0.831 176.103 176.870 0.108 0.000 0.980 305 L CA -0.468 54.468 54.840 0.160 0.000 0.831 305 L CB 2.431 44.599 42.059 0.182 0.000 1.253 305 L HN 0.767 nan 8.230 nan 0.000 0.406 306 T N 2.230 116.840 114.554 0.094 0.000 2.812 306 T HA 0.694 5.044 4.350 0.000 0.000 0.282 306 T C -0.321 174.436 174.700 0.094 0.000 0.990 306 T CA -0.476 61.673 62.100 0.082 0.000 0.960 306 T CB 1.878 70.775 68.868 0.049 0.000 0.948 306 T HN 0.610 nan 8.240 nan 0.000 0.438 307 A N 3.503 126.400 122.820 0.128 0.000 2.337 307 A HA 0.902 5.222 4.320 0.000 0.000 0.329 307 A C -0.770 176.911 177.584 0.161 0.000 1.146 307 A CA -0.773 51.347 52.037 0.138 0.000 0.800 307 A CB 0.715 19.796 19.000 0.136 0.000 1.220 307 A HN 0.912 nan 8.150 nan 0.000 0.472 308 I N 2.628 123.268 120.570 0.117 0.000 2.534 308 I HA 0.420 4.590 4.170 0.000 0.000 0.288 308 I C -1.049 175.112 176.117 0.073 0.000 1.077 308 I CA -0.829 60.519 61.300 0.079 0.000 1.051 308 I CB 1.927 39.939 38.000 0.020 0.000 1.234 308 I HN 0.419 nan 8.210 nan 0.000 0.425 309 V N 7.723 127.675 119.914 0.063 0.000 2.572 309 V HA 0.076 4.197 4.120 0.000 0.000 0.291 309 V C 1.092 177.194 176.094 0.013 0.000 1.039 309 V CA -0.155 62.170 62.300 0.042 0.000 1.055 309 V CB 1.237 33.083 31.823 0.037 0.000 0.969 309 V HN 0.686 nan 8.190 nan 0.000 0.482 310 L N 2.570 123.821 121.223 0.047 0.000 2.627 310 L HA 0.129 4.469 4.340 0.000 0.000 0.233 310 L C 0.973 177.883 176.870 0.066 0.000 1.144 310 L CA -0.024 54.850 54.840 0.057 0.000 0.892 310 L CB -0.334 41.786 42.059 0.101 0.000 1.039 310 L HN 0.657 nan 8.230 nan 0.000 0.442 311 E N 2.031 122.273 120.200 0.071 0.000 2.653 311 E HA -0.099 4.251 4.350 0.000 0.000 0.264 311 E C 0.640 177.344 176.600 0.174 0.000 0.949 311 E CA 0.455 56.929 56.400 0.123 0.000 0.953 311 E CB 0.151 29.954 29.700 0.171 0.000 0.925 311 E HN 0.316 nan 8.360 nan 0.000 0.475 312 E N 0.691 120.974 120.200 0.138 0.000 3.492 312 E HA -0.348 4.002 4.350 0.000 0.000 0.303 312 E C 1.263 177.920 176.600 0.095 0.000 1.507 312 E CA 1.188 57.658 56.400 0.117 0.000 2.055 312 E CB -1.365 28.410 29.700 0.124 0.000 1.950 312 E HN 0.682 nan 8.360 nan 0.000 0.470 313 S N 0.646 116.402 115.700 0.093 0.000 2.400 313 S HA -0.276 4.194 4.470 0.000 0.000 0.234 313 S C 1.925 176.500 174.600 -0.042 0.000 1.049 313 S CA 1.972 60.194 58.200 0.038 0.000 1.039 313 S CB -0.702 62.584 63.200 0.143 0.000 0.856 313 S HN 0.430 nan 8.310 nan 0.000 0.465 314 I N 2.180 122.774 120.570 0.040 0.000 2.093 314 I HA -0.378 3.792 4.170 0.000 0.000 0.239 314 I C 2.957 179.007 176.117 -0.110 0.000 1.026 314 I CA 2.465 63.744 61.300 -0.035 0.000 1.295 314 I CB -0.598 37.388 38.000 -0.023 0.000 1.007 314 I HN 0.496 nan 8.210 nan 0.000 0.401 315 E N 1.125 121.285 120.200 -0.067 0.000 2.070 315 E HA -0.329 4.021 4.350 0.000 0.000 0.197 315 E C 2.219 178.722 176.600 -0.162 0.000 1.004 315 E CA 1.917 58.260 56.400 -0.096 0.000 0.805 315 E CB -0.092 29.611 29.700 0.005 0.000 0.744 315 E HN 0.316 nan 8.360 nan 0.000 0.451 316 K N -0.131 120.177 120.400 -0.155 0.000 2.044 316 K HA -0.223 4.097 4.320 0.000 0.000 0.210 316 K C 2.010 178.432 176.600 -0.296 0.000 1.049 316 K CA 1.607 57.782 56.287 -0.186 0.000 0.927 316 K CB -0.256 32.127 32.500 -0.194 0.000 0.713 316 K HN 0.212 nan 8.250 nan 0.000 0.443 317 A N 0.903 123.399 122.820 -0.541 0.000 1.968 317 A HA -0.052 4.268 4.320 0.000 0.000 0.217 317 A C 2.056 179.493 177.584 -0.244 0.000 1.169 317 A CA 0.882 52.562 52.037 -0.594 0.000 0.638 317 A CB -0.433 18.033 19.000 -0.891 0.000 0.812 317 A HN 0.295 nan 8.150 nan 0.000 0.446 318 L N -0.490 120.605 121.223 -0.214 0.000 1.933 318 L HA -0.240 4.100 4.340 0.000 0.000 0.220 318 L C 2.532 179.348 176.870 -0.090 0.000 1.078 318 L CA 1.780 56.545 54.840 -0.125 0.000 0.773 318 L CB -0.783 41.192 42.059 -0.140 0.000 0.890 318 L HN 0.385 nan 8.230 nan 0.000 0.434 319 L N -0.673 120.424 121.223 -0.210 0.000 2.197 319 L HA -0.180 4.160 4.340 0.000 0.000 0.215 319 L C 1.028 177.870 176.870 -0.047 0.000 1.095 319 L CA 0.479 55.196 54.840 -0.206 0.000 0.764 319 L CB -1.194 40.664 42.059 -0.334 0.000 0.897 319 L HN 0.279 nan 8.230 nan 0.000 0.436 320 T N 1.365 115.906 114.554 -0.023 0.000 2.871 320 T HA 0.026 4.376 4.350 0.000 0.000 0.296 320 T C 0.444 175.151 174.700 0.012 0.000 0.998 320 T CA -0.149 61.964 62.100 0.021 0.000 1.162 320 T CB 0.129 69.047 68.868 0.083 0.000 0.947 320 T HN 0.364 nan 8.240 nan 0.000 0.536 321 E N 2.503 122.725 120.200 0.038 0.000 2.390 321 E HA 0.425 4.775 4.350 0.000 0.000 0.261 321 E C -0.066 176.522 176.600 -0.021 0.000 1.076 321 E CA -0.937 55.508 56.400 0.075 0.000 0.905 321 E CB 0.682 30.450 29.700 0.113 0.000 0.984 321 E HN 0.383 nan 8.360 nan 0.000 0.427 322 V N -0.953 118.945 119.914 -0.026 0.000 3.158 322 V HA 0.428 4.548 4.120 0.000 0.000 0.311 322 V C -0.463 175.455 176.094 -0.294 0.000 1.181 322 V CA -1.143 61.050 62.300 -0.179 0.000 1.054 322 V CB 1.832 33.500 31.823 -0.257 0.000 1.085 322 V HN 0.827 nan 8.190 nan 0.000 0.446 323 E N 1.666 121.520 120.200 -0.576 0.000 2.989 323 E HA 0.359 4.709 4.350 0.000 0.000 0.224 323 E C -0.088 175.986 176.600 -0.876 0.000 1.175 323 E CA -0.177 55.436 56.400 -1.312 0.000 1.300 323 E CB 0.778 29.586 29.700 -1.486 0.000 1.422 323 E HN 0.970 nan 8.360 nan 0.000 0.439 324 T N -3.360 111.005 114.554 -0.315 0.000 2.876 324 T HA 0.284 4.635 4.350 0.000 0.000 0.277 324 T C 1.114 175.917 174.700 0.171 0.000 0.997 324 T CA -0.590 61.480 62.100 -0.048 0.000 0.966 324 T CB 1.714 70.642 68.868 0.099 0.000 1.312 324 T HN -0.023 nan 8.240 nan 0.000 0.598 325 S N -0.321 115.441 115.700 0.104 0.000 2.398 325 S HA 0.082 4.552 4.470 0.000 0.000 0.220 325 S C 1.259 175.886 174.600 0.044 0.000 1.046 325 S CA 0.503 58.772 58.200 0.115 0.000 0.953 325 S CB -0.626 62.587 63.200 0.023 0.000 0.856 325 S HN 0.758 nan 8.310 nan 0.000 0.506 326 N N -0.037 118.590 118.700 -0.123 0.000 2.177 326 N HA 0.179 4.919 4.740 0.000 0.000 0.218 326 N C -0.498 174.986 175.510 -0.044 0.000 1.182 326 N CA -0.277 52.683 53.050 -0.149 0.000 0.882 326 N CB 0.207 38.517 38.487 -0.294 0.000 1.052 326 N HN 0.467 nan 8.380 nan 0.000 0.519 327 W N 5.245 126.527 121.300 -0.031 0.000 2.397 327 W HA 0.144 4.804 4.660 0.000 0.000 0.327 327 W C -2.361 174.258 176.519 0.166 0.000 1.421 327 W CA -0.970 56.516 57.345 0.234 0.000 1.288 327 W CB 0.464 30.098 29.460 0.290 0.000 1.312 327 W HN 0.047 nan 8.180 nan 0.000 0.559 328 P HA 0.155 nan 4.420 nan 0.000 0.276 328 P C -0.875 175.966 177.300 -0.765 0.000 1.244 328 P CA -0.068 62.678 63.100 -0.590 0.000 0.801 328 P CB 1.371 32.789 31.700 -0.470 0.000 1.006 329 T N 2.614 117.009 114.554 -0.265 0.000 2.801 329 T HA 0.333 4.683 4.350 0.000 0.000 0.306 329 T C -2.297 172.387 174.700 -0.028 0.000 1.020 329 T CA -1.175 60.888 62.100 -0.062 0.000 0.948 329 T CB 0.033 68.944 68.868 0.071 0.000 0.962 329 T HN 0.313 nan 8.240 nan 0.000 0.465 330 P HA 0.029 nan 4.420 nan 0.000 0.264 330 P C -1.010 176.454 177.300 0.274 0.000 1.156 330 P CA 0.133 63.272 63.100 0.065 0.000 0.756 330 P CB 0.385 32.014 31.700 -0.119 0.000 0.764 331 V N 5.809 125.936 119.914 0.355 0.000 2.623 331 V HA 0.331 4.451 4.120 0.000 0.000 0.304 331 V C -2.228 174.013 176.094 0.245 0.000 1.054 331 V CA -1.892 60.600 62.300 0.321 0.000 0.882 331 V CB 2.319 34.230 31.823 0.146 0.000 1.002 331 V HN 0.519 nan 8.190 nan 0.000 0.424 332 P HA 0.181 nan 4.420 nan 0.000 0.268 332 P C -2.754 174.506 177.300 -0.067 0.000 1.204 332 P CA -1.475 61.509 63.100 -0.193 0.000 0.768 332 P CB 0.060 31.498 31.700 -0.437 0.000 0.842 333 P HA 0.022 nan 4.420 nan 0.000 0.256 333 P C 0.322 177.623 177.300 0.002 0.000 1.189 333 P CA 0.578 63.684 63.100 0.009 0.000 0.808 333 P CB 0.078 31.810 31.700 0.054 0.000 0.793 334 R N 2.784 123.285 120.500 0.002 0.000 2.707 334 R HA 0.171 4.511 4.340 0.000 0.000 0.270 334 R C 0.662 176.962 176.300 0.000 0.000 1.083 334 R CA -0.142 55.955 56.100 -0.004 0.000 1.182 334 R CB 0.073 30.372 30.300 -0.002 0.000 1.084 334 R HN 0.484 nan 8.270 nan 0.000 0.528 335 E N 2.154 122.351 120.200 -0.005 0.000 2.133 335 E HA 0.176 4.526 4.350 0.000 0.000 0.274 335 E C -0.412 176.178 176.600 -0.017 0.000 0.930 335 E CA -0.920 55.474 56.400 -0.011 0.000 0.770 335 E CB 0.747 30.443 29.700 -0.006 0.000 1.104 335 E HN 0.435 nan 8.360 nan 0.000 0.403 336 I N 2.373 122.928 120.570 -0.024 0.000 2.668 336 I HA 0.143 4.313 4.170 0.000 0.000 0.285 336 I C -0.102 176.003 176.117 -0.020 0.000 1.168 336 I CA 0.240 61.527 61.300 -0.023 0.000 1.424 336 I CB 0.665 38.648 38.000 -0.029 0.000 1.377 336 I HN 0.363 nan 8.210 nan 0.000 0.560 337 T N 3.085 117.629 114.554 -0.016 0.000 2.887 337 T HA 0.610 4.960 4.350 0.000 0.000 0.288 337 T C -0.561 174.131 174.700 -0.013 0.000 1.021 337 T CA -0.749 61.343 62.100 -0.013 0.000 1.000 337 T CB 1.171 70.033 68.868 -0.009 0.000 1.034 337 T HN 0.741 nan 8.240 nan 0.000 0.467 338 C N 3.305 122.598 119.300 -0.013 0.000 2.239 338 C HA 0.592 5.052 4.460 0.000 0.000 0.323 338 C C 0.604 175.588 174.990 -0.009 0.000 1.205 338 C CA -0.790 58.220 59.018 -0.013 0.000 1.584 338 C CB -0.738 26.994 27.740 -0.015 0.000 2.201 338 C HN 0.810 nan 8.230 nan 0.000 0.475 339 V N 4.927 124.837 119.914 -0.008 0.000 2.649 339 V HA 0.391 4.511 4.120 0.000 0.000 0.292 339 V C 0.322 176.413 176.094 -0.004 0.000 1.055 339 V CA 0.010 62.307 62.300 -0.004 0.000 1.023 339 V CB 1.454 33.276 31.823 -0.002 0.000 0.992 339 V HN 0.664 nan 8.190 nan 0.000 0.480 340 V N 3.591 123.506 119.914 0.001 0.000 2.881 340 V HA 0.757 4.877 4.120 0.000 0.000 0.316 340 V C 0.034 176.137 176.094 0.015 0.000 1.070 340 V CA -0.437 61.867 62.300 0.006 0.000 0.976 340 V CB 2.179 34.007 31.823 0.008 0.000 1.038 340 V HN 1.016 nan 8.190 nan 0.000 0.446 341 S N 0.337 116.053 115.700 0.027 0.000 2.634 341 S HA 0.547 5.017 4.470 0.000 0.000 0.296 341 S C -0.253 174.387 174.600 0.066 0.000 1.104 341 S CA -0.420 57.806 58.200 0.043 0.000 0.920 341 S CB 1.802 65.032 63.200 0.051 0.000 1.111 341 S HN 0.976 nan 8.310 nan 0.000 0.493 342 S N 0.662 116.397 115.700 0.057 0.000 3.869 342 S HA 0.192 4.662 4.470 0.000 0.000 0.241 342 S C -0.142 174.499 174.600 0.068 0.000 1.363 342 S CA -0.554 57.676 58.200 0.050 0.000 0.894 342 S CB -1.254 61.960 63.200 0.024 0.000 1.519 342 S HN 0.940 nan 8.310 nan 0.000 0.470 343 H N 2.491 121.562 119.070 0.002 0.000 3.067 343 H HA 0.565 5.121 4.556 0.000 0.000 0.265 343 H C 0.310 175.640 175.328 0.004 0.000 1.234 343 H CA -0.326 55.723 56.048 0.003 0.000 1.452 343 H CB -0.102 29.661 29.762 0.002 0.000 1.527 343 H HN 0.638 nan 8.280 nan 0.000 0.486 344 A N 4.590 127.235 122.820 -0.292 0.000 2.492 344 A HA 0.224 4.544 4.320 0.000 0.000 0.254 344 A C 0.705 178.040 177.584 -0.415 0.000 1.091 344 A CA 0.128 51.993 52.037 -0.287 0.000 0.768 344 A CB -0.301 18.624 19.000 -0.126 0.000 1.028 344 A HN 0.942 nan 8.150 nan 0.000 0.498 345 S N 2.303 117.801 115.700 -0.337 0.000 2.560 345 S HA 0.314 4.784 4.470 0.000 0.000 0.284 345 S C 1.099 175.637 174.600 -0.102 0.000 1.327 345 S CA 0.051 58.120 58.200 -0.217 0.000 1.055 345 S CB 0.909 64.046 63.200 -0.106 0.000 0.868 345 S HN 1.525 nan 8.310 nan 0.000 0.506 346 A N 4.584 127.381 122.820 -0.038 0.000 2.044 346 A HA 0.247 4.567 4.320 0.000 0.000 0.213 346 A C 1.099 178.695 177.584 0.020 0.000 1.169 346 A CA -0.190 51.847 52.037 0.000 0.000 0.724 346 A CB -0.355 18.660 19.000 0.026 0.000 0.840 346 A HN 0.900 nan 8.150 nan 0.000 0.463 347 R N 0.700 121.215 120.500 0.026 0.000 3.252 347 R HA -0.002 4.338 4.340 0.000 0.000 0.333 347 R C -0.067 176.272 176.300 0.065 0.000 0.722 347 R CA 0.068 56.196 56.100 0.048 0.000 1.078 347 R CB -0.581 29.746 30.300 0.044 0.000 0.898 347 R HN 0.242 nan 8.270 nan 0.000 0.379 348 V N 3.414 123.381 119.914 0.088 0.000 2.617 348 V HA -0.090 4.030 4.120 0.000 0.000 0.304 348 V C 0.410 176.626 176.094 0.205 0.000 1.040 348 V CA 0.500 62.870 62.300 0.117 0.000 1.149 348 V CB 0.793 32.677 31.823 0.101 0.000 0.914 348 V HN 0.626 nan 8.190 nan 0.000 0.487 349 E N 5.812 126.103 120.200 0.152 0.000 2.277 349 E HA 0.722 5.072 4.350 0.000 0.000 0.274 349 E C -0.721 176.023 176.600 0.239 0.000 1.022 349 E CA -0.057 56.412 56.400 0.115 0.000 0.853 349 E CB 1.322 31.033 29.700 0.018 0.000 1.086 349 E HN 0.645 nan 8.360 nan 0.000 0.397 350 F N -0.938 119.005 119.950 -0.012 0.000 2.703 350 F HA 0.449 4.976 4.527 0.000 0.000 0.308 350 F C -1.410 174.382 175.800 -0.013 0.000 1.126 350 F CA -1.021 56.971 58.000 -0.013 0.000 0.959 350 F CB 1.198 40.190 39.000 -0.014 0.000 1.297 350 F HN 0.189 nan 8.300 nan 0.000 0.441 351 Q N 2.489 122.340 119.800 0.085 0.000 2.327 351 Q HA 0.456 4.796 4.340 0.000 0.000 0.270 351 Q C -2.735 173.335 176.000 0.116 0.000 1.022 351 Q CA -2.007 53.793 55.803 -0.005 0.000 0.773 351 Q CB 2.205 30.934 28.738 -0.016 0.000 1.251 351 Q HN 0.369 nan 8.270 nan 0.000 0.457 352 P HA -0.054 nan 4.420 nan 0.000 0.264 352 P C -0.933 176.413 177.300 0.077 0.000 1.179 352 P CA 0.649 63.834 63.100 0.141 0.000 0.763 352 P CB 0.660 32.422 31.700 0.103 0.000 0.806 353 S N 0.482 116.222 115.700 0.067 0.000 2.607 353 S HA 0.797 5.267 4.470 0.000 0.000 0.273 353 S C -0.954 173.663 174.600 0.028 0.000 1.148 353 S CA -0.567 57.655 58.200 0.037 0.000 0.833 353 S CB 2.041 65.258 63.200 0.029 0.000 1.130 353 S HN 0.509 nan 8.310 nan 0.000 0.470 354 A N 1.493 124.325 122.820 0.019 0.000 2.330 354 A HA 0.902 5.222 4.320 0.000 0.000 0.329 354 A C -0.639 176.951 177.584 0.010 0.000 1.135 354 A CA -0.599 51.447 52.037 0.016 0.000 0.817 354 A CB 0.904 19.914 19.000 0.016 0.000 1.269 354 A HN 0.680 nan 8.150 nan 0.000 0.469 355 N N -0.052 118.653 118.700 0.009 0.000 3.321 355 N HA 0.186 4.926 4.740 0.000 0.000 0.217 355 N C 0.443 175.958 175.510 0.008 0.000 1.405 355 N CA 0.341 53.394 53.050 0.004 0.000 0.799 355 N CB 1.156 39.641 38.487 -0.002 0.000 1.619 355 N HN 0.755 nan 8.380 nan 0.000 0.648 356 A N 3.767 126.593 122.820 0.009 0.000 1.940 356 A HA -0.207 4.113 4.320 0.000 0.000 0.221 356 A C 2.019 179.610 177.584 0.012 0.000 1.190 356 A CA 1.385 53.429 52.037 0.011 0.000 0.647 356 A CB -0.412 18.593 19.000 0.009 0.000 0.821 356 A HN 0.647 nan 8.150 nan 0.000 0.457 357 L N -0.458 120.771 121.223 0.009 0.000 1.937 357 L HA -0.147 4.193 4.340 0.000 0.000 0.213 357 L C 2.525 179.403 176.870 0.014 0.000 1.077 357 L CA 2.220 57.067 54.840 0.011 0.000 0.758 357 L CB -0.754 41.310 42.059 0.009 0.000 0.888 357 L HN 0.284 nan 8.230 nan 0.000 0.433 358 V N 0.802 120.722 119.914 0.010 0.000 2.278 358 V HA -0.382 3.738 4.120 0.000 0.000 0.251 358 V C 2.890 178.993 176.094 0.016 0.000 1.062 358 V CA 2.040 64.348 62.300 0.013 0.000 1.038 358 V CB -1.239 30.583 31.823 -0.002 0.000 0.646 358 V HN 0.674 nan 8.190 nan 0.000 0.447 359 A N 0.298 123.126 122.820 0.013 0.000 1.940 359 A HA -0.155 4.165 4.320 0.000 0.000 0.219 359 A C 2.429 180.027 177.584 0.023 0.000 1.176 359 A CA 2.085 54.132 52.037 0.017 0.000 0.631 359 A CB -1.280 17.733 19.000 0.022 0.000 0.814 359 A HN 0.589 nan 8.150 nan 0.000 0.446 360 G N -0.209 108.604 108.800 0.022 0.000 2.450 360 G HA2 -0.185 3.775 3.960 0.000 0.000 0.220 360 G HA3 -0.185 3.775 3.960 0.000 0.000 0.220 360 G C 1.500 176.412 174.900 0.020 0.000 1.130 360 G CA 1.156 46.269 45.100 0.022 0.000 0.760 360 G HN 0.510 nan 8.290 nan 0.000 0.557 361 I N 0.137 120.719 120.570 0.021 0.000 2.206 361 I HA -0.106 4.064 4.170 0.000 0.000 0.239 361 I C 2.762 178.890 176.117 0.018 0.000 1.078 361 I CA 0.418 61.730 61.300 0.020 0.000 1.367 361 I CB -0.486 37.535 38.000 0.035 0.000 1.078 361 I HN -0.008 nan 8.210 nan 0.000 0.413 362 V N 1.220 121.146 119.914 0.020 0.000 2.370 362 V HA -0.324 3.796 4.120 0.000 0.000 0.252 362 V C 2.503 178.591 176.094 -0.011 0.000 1.068 362 V CA 2.349 64.650 62.300 0.001 0.000 1.061 362 V CB -0.794 31.019 31.823 -0.016 0.000 0.656 362 V HN 0.478 nan 8.190 nan 0.000 0.455 363 E N 0.375 120.580 120.200 0.009 0.000 2.015 363 E HA -0.202 4.148 4.350 0.000 0.000 0.191 363 E C 1.970 178.586 176.600 0.026 0.000 0.991 363 E CA 1.479 57.898 56.400 0.030 0.000 0.802 363 E CB -0.547 29.191 29.700 0.064 0.000 0.759 363 E HN 0.362 nan 8.360 nan 0.000 0.447 364 L N 0.004 121.238 121.223 0.019 0.000 2.012 364 L HA -0.136 4.205 4.340 0.000 0.000 0.210 364 L C 2.321 179.193 176.870 0.004 0.000 1.073 364 L CA 1.603 56.449 54.840 0.011 0.000 0.748 364 L CB -0.722 41.339 42.059 0.003 0.000 0.891 364 L HN 0.161 nan 8.230 nan 0.000 0.431 365 V N -0.251 119.662 119.914 -0.002 0.000 2.223 365 V HA -0.344 3.776 4.120 0.000 0.000 0.244 365 V C 2.741 178.840 176.094 0.008 0.000 1.045 365 V CA 2.410 64.707 62.300 -0.005 0.000 1.000 365 V CB -1.369 30.453 31.823 -0.001 0.000 0.635 365 V HN 0.775 nan 8.190 nan 0.000 0.445 366 T N -0.493 114.060 114.554 -0.002 0.000 2.665 366 T HA -0.264 4.086 4.350 0.000 0.000 0.268 366 T C 1.893 176.599 174.700 0.011 0.000 1.035 366 T CA 1.982 64.076 62.100 -0.010 0.000 1.151 366 T CB -0.693 68.145 68.868 -0.049 0.000 0.862 366 T HN 0.507 nan 8.240 nan 0.000 0.438 367 A N 1.684 124.515 122.820 0.019 0.000 1.877 367 A HA -0.038 4.282 4.320 0.000 0.000 0.216 367 A C 2.704 180.306 177.584 0.031 0.000 1.186 367 A CA 2.296 54.353 52.037 0.033 0.000 0.620 367 A CB -1.612 17.412 19.000 0.039 0.000 0.822 367 A HN 0.571 nan 8.150 nan 0.000 0.443 368 T N 0.740 115.309 114.554 0.025 0.000 2.624 368 T HA -0.206 4.144 4.350 0.000 0.000 0.268 368 T C 1.824 176.550 174.700 0.042 0.000 1.041 368 T CA 1.781 63.896 62.100 0.025 0.000 1.159 368 T CB -0.523 68.356 68.868 0.019 0.000 0.863 368 T HN 0.368 nan 8.240 nan 0.000 0.434 369 L N 0.611 121.869 121.223 0.059 0.000 1.994 369 L HA -0.121 4.219 4.340 0.000 0.000 0.208 369 L C 2.895 179.813 176.870 0.081 0.000 1.071 369 L CA 1.271 56.167 54.840 0.093 0.000 0.745 369 L CB -0.718 41.416 42.059 0.126 0.000 0.892 369 L HN 0.263 nan 8.230 nan 0.000 0.431 370 S N -0.188 115.549 115.700 0.062 0.000 2.407 370 S HA -0.260 4.210 4.470 0.000 0.000 0.235 370 S C 1.397 176.027 174.600 0.050 0.000 1.036 370 S CA 2.173 60.405 58.200 0.054 0.000 1.013 370 S CB -0.346 62.880 63.200 0.042 0.000 0.820 370 S HN 0.481 nan 8.310 nan 0.000 0.476 371 D N 0.634 121.060 120.400 0.043 0.000 2.137 371 D HA 0.071 4.711 4.640 0.000 0.000 0.202 371 D C 1.908 178.233 176.300 0.041 0.000 0.970 371 D CA 0.780 54.801 54.000 0.035 0.000 0.837 371 D CB -0.191 40.622 40.800 0.022 0.000 0.981 371 D HN 0.339 nan 8.370 nan 0.000 0.475 372 L N 0.956 122.206 121.223 0.046 0.000 2.129 372 L HA -0.218 4.122 4.340 0.000 0.000 0.212 372 L C 2.285 179.202 176.870 0.077 0.000 1.087 372 L CA 1.055 55.930 54.840 0.059 0.000 0.757 372 L CB -0.551 41.542 42.059 0.056 0.000 0.896 372 L HN 0.151 nan 8.230 nan 0.000 0.434 373 E N 0.093 120.333 120.200 0.067 0.000 2.434 373 E HA -0.399 3.951 4.350 0.000 0.000 0.245 373 E C 1.888 178.519 176.600 0.051 0.000 1.097 373 E CA 2.955 59.391 56.400 0.060 0.000 1.123 373 E CB -0.189 29.544 29.700 0.056 0.000 0.977 373 E HN 0.513 nan 8.360 nan 0.000 0.480 374 T N -1.254 113.335 114.554 0.058 0.000 2.622 374 T HA -0.215 4.135 4.350 0.000 0.000 0.266 374 T C 1.629 176.364 174.700 0.058 0.000 1.047 374 T CA 1.818 63.949 62.100 0.051 0.000 1.159 374 T CB -0.607 68.293 68.868 0.055 0.000 0.863 374 T HN 0.418 nan 8.240 nan 0.000 0.422 375 H N 0.698 119.763 119.070 -0.008 0.000 2.353 375 H HA 0.073 4.629 4.556 0.000 0.000 0.300 375 H C 2.042 177.351 175.328 -0.032 0.000 1.090 375 H CA 1.258 57.296 56.048 -0.015 0.000 1.327 375 H CB -0.390 29.366 29.762 -0.010 0.000 1.383 375 H HN 0.230 nan 8.280 nan 0.000 0.508 376 L N -0.053 121.202 121.223 0.053 0.000 2.141 376 L HA -0.156 4.184 4.340 0.000 0.000 0.209 376 L C 2.160 178.973 176.870 -0.096 0.000 1.094 376 L CA 0.804 55.615 54.840 -0.047 0.000 0.763 376 L CB -0.348 41.669 42.059 -0.071 0.000 0.908 376 L HN 0.404 nan 8.230 nan 0.000 0.437 377 N N 0.225 118.890 118.700 -0.058 0.000 2.188 377 N HA -0.106 4.634 4.740 0.000 0.000 0.184 377 N C 1.900 177.361 175.510 -0.081 0.000 1.018 377 N CA 1.382 54.400 53.050 -0.053 0.000 0.858 377 N CB -0.036 38.439 38.487 -0.020 0.000 0.989 377 N HN 0.294 nan 8.380 nan 0.000 0.426 378 A N 1.602 124.352 122.820 -0.117 0.000 1.877 378 A HA -0.069 4.251 4.320 0.000 0.000 0.216 378 A C 2.384 179.867 177.584 -0.168 0.000 1.186 378 A CA 0.934 52.884 52.037 -0.145 0.000 0.620 378 A CB -0.773 18.106 19.000 -0.201 0.000 0.822 378 A HN 0.201 nan 8.150 nan 0.000 0.443 379 L N -0.664 120.420 121.223 -0.232 0.000 2.046 379 L HA -0.181 4.159 4.340 0.000 0.000 0.208 379 L C 2.286 179.085 176.870 -0.117 0.000 1.077 379 L CA 1.731 56.460 54.840 -0.184 0.000 0.747 379 L CB -0.659 41.285 42.059 -0.190 0.000 0.896 379 L HN 0.363 nan 8.230 nan 0.000 0.432 380 D N -0.021 120.315 120.400 -0.108 0.000 2.312 380 D HA -0.093 4.547 4.640 0.000 0.000 0.211 380 D C 2.010 178.275 176.300 -0.058 0.000 0.964 380 D CA 0.985 54.938 54.000 -0.078 0.000 0.877 380 D CB 0.319 41.075 40.800 -0.074 0.000 0.924 380 D HN 0.255 nan 8.370 nan 0.000 0.515 381 A N 0.309 123.092 122.820 -0.062 0.000 1.930 381 A HA -0.066 4.254 4.320 0.000 0.000 0.215 381 A C 1.979 179.537 177.584 -0.043 0.000 1.176 381 A CA 0.793 52.802 52.037 -0.046 0.000 0.632 381 A CB -0.132 18.840 19.000 -0.047 0.000 0.819 381 A HN 0.066 nan 8.150 nan 0.000 0.445 382 K N -0.412 119.957 120.400 -0.052 0.000 2.418 382 K HA 0.138 4.458 4.320 0.000 0.000 0.195 382 K C 1.405 177.982 176.600 -0.038 0.000 1.035 382 K CA 0.702 56.963 56.287 -0.044 0.000 1.003 382 K CB 0.137 32.606 32.500 -0.050 0.000 0.793 382 K HN 0.376 nan 8.250 nan 0.000 0.494 383 V N -0.394 119.494 119.914 -0.042 0.000 2.854 383 V HA 0.136 4.256 4.120 0.000 0.000 0.236 383 V C 1.369 177.446 176.094 -0.028 0.000 1.157 383 V CA 1.327 63.606 62.300 -0.036 0.000 1.187 383 V CB 0.767 32.564 31.823 -0.043 0.000 0.949 383 V HN 0.376 nan 8.190 nan 0.000 0.488 384 G N 0.177 108.959 108.800 -0.029 0.000 3.340 384 G HA2 0.233 4.193 3.960 0.000 0.000 0.176 384 G HA3 0.233 4.193 3.960 0.000 0.000 0.176 384 G C -0.635 174.255 174.900 -0.017 0.000 1.103 384 G CA 0.609 45.697 45.100 -0.020 0.000 0.779 384 G HN 0.363 nan 8.290 nan 0.000 0.673 385 D N -0.055 120.339 120.400 -0.010 0.000 2.413 385 D HA 0.251 4.891 4.640 0.000 0.000 0.237 385 D C 1.466 177.762 176.300 -0.008 0.000 1.171 385 D CA 0.244 54.241 54.000 -0.006 0.000 0.839 385 D CB -0.594 40.207 40.800 0.002 0.000 0.950 385 D HN 0.989 nan 8.370 nan 0.000 0.499 386 G N 2.108 110.897 108.800 -0.019 0.000 2.449 386 G HA2 -0.324 3.636 3.960 0.000 0.000 0.304 386 G HA3 -0.324 3.636 3.960 0.000 0.000 0.304 386 G C 0.402 175.295 174.900 -0.011 0.000 0.962 386 G CA 0.866 45.952 45.100 -0.023 0.000 0.943 386 G HN 0.582 nan 8.290 nan 0.000 0.514 387 D N -2.393 118.006 120.400 -0.001 0.000 2.469 387 D HA 0.077 4.717 4.640 0.000 0.000 0.213 387 D C 1.672 177.994 176.300 0.038 0.000 1.135 387 D CA 0.758 54.771 54.000 0.021 0.000 0.834 387 D CB -0.570 40.249 40.800 0.031 0.000 1.009 387 D HN 0.182 nan 8.370 nan 0.000 0.507 388 T N 0.698 115.253 114.554 0.001 0.000 2.555 388 T HA -0.111 4.239 4.350 0.000 0.000 0.264 388 T C 2.059 176.765 174.700 0.011 0.000 1.083 388 T CA 2.588 64.669 62.100 -0.032 0.000 1.179 388 T CB -0.957 67.786 68.868 -0.209 0.000 0.863 388 T HN 0.418 nan 8.240 nan 0.000 0.412 389 G N 0.850 109.632 108.800 -0.030 0.000 2.556 389 G HA2 -0.272 3.688 3.960 0.000 0.000 0.220 389 G HA3 -0.272 3.688 3.960 0.000 0.000 0.220 389 G C 1.939 176.895 174.900 0.094 0.000 1.156 389 G CA 1.509 46.625 45.100 0.026 0.000 0.766 389 G HN 0.515 nan 8.290 nan 0.000 0.583 390 S N 0.049 115.794 115.700 0.076 0.000 2.355 390 S HA -0.107 4.363 4.470 0.000 0.000 0.222 390 S C 2.595 177.262 174.600 0.110 0.000 1.031 390 S CA 1.776 60.023 58.200 0.078 0.000 0.993 390 S CB -0.531 62.701 63.200 0.052 0.000 0.859 390 S HN 0.516 nan 8.310 nan 0.000 0.453 391 T N 1.918 116.560 114.554 0.148 0.000 2.652 391 T HA -0.070 4.280 4.350 0.000 0.000 0.267 391 T C 1.426 176.248 174.700 0.202 0.000 1.039 391 T CA 1.301 63.503 62.100 0.170 0.000 1.153 391 T CB -0.521 68.484 68.868 0.229 0.000 0.863 391 T HN 0.268 nan 8.240 nan 0.000 0.428 392 F N 1.638 121.596 119.950 0.013 0.000 2.216 392 F HA 0.087 4.614 4.527 0.000 0.000 0.300 392 F C 2.586 178.393 175.800 0.011 0.000 1.085 392 F CA 0.242 58.251 58.000 0.015 0.000 1.326 392 F CB -0.961 38.050 39.000 0.018 0.000 1.027 392 F HN 0.151 nan 8.300 nan 0.000 0.497 393 A N -0.198 122.729 122.820 0.178 0.000 1.898 393 A HA 0.016 4.336 4.320 0.000 0.000 0.216 393 A C 2.475 180.085 177.584 0.043 0.000 1.181 393 A CA 1.465 53.559 52.037 0.094 0.000 0.620 393 A CB -1.254 17.795 19.000 0.081 0.000 0.819 393 A HN 0.275 nan 8.150 nan 0.000 0.442 394 A N 0.239 123.082 122.820 0.037 0.000 1.873 394 A HA 0.005 4.326 4.320 0.000 0.000 0.218 394 A C 2.540 180.109 177.584 -0.024 0.000 1.193 394 A CA 2.647 54.688 52.037 0.007 0.000 0.629 394 A CB -1.231 17.774 19.000 0.009 0.000 0.826 394 A HN 1.178 nan 8.150 nan 0.000 0.447 395 A N -0.645 122.146 122.820 -0.049 0.000 1.933 395 A HA 0.156 4.476 4.320 0.000 0.000 0.218 395 A C 2.474 180.005 177.584 -0.088 0.000 1.175 395 A CA 2.276 54.258 52.037 -0.093 0.000 0.628 395 A CB -0.928 17.978 19.000 -0.157 0.000 0.814 395 A HN 1.079 nan 8.150 nan 0.000 0.444 396 A N -0.250 122.539 122.820 -0.050 0.000 1.840 396 A HA -0.080 4.240 4.320 0.000 0.000 0.214 396 A C 2.191 179.743 177.584 -0.053 0.000 1.198 396 A CA 1.186 53.198 52.037 -0.042 0.000 0.608 396 A CB -0.499 18.504 19.000 0.006 0.000 0.839 396 A HN 0.406 nan 8.150 nan 0.000 0.443 397 R N -0.098 120.386 120.500 -0.027 0.000 2.119 397 R HA -0.226 4.114 4.340 0.000 0.000 0.246 397 R C 2.040 178.306 176.300 -0.057 0.000 1.146 397 R CA 1.876 57.960 56.100 -0.027 0.000 0.962 397 R CB -0.776 29.522 30.300 -0.002 0.000 0.863 397 R HN 0.717 nan 8.270 nan 0.000 0.442 398 E N 1.070 121.234 120.200 -0.060 0.000 2.038 398 E HA -0.137 4.213 4.350 0.000 0.000 0.195 398 E C 1.904 178.440 176.600 -0.107 0.000 1.000 398 E CA 1.260 57.617 56.400 -0.072 0.000 0.803 398 E CB -0.137 29.522 29.700 -0.069 0.000 0.750 398 E HN 0.165 nan 8.360 nan 0.000 0.448 399 I N 0.812 121.303 120.570 -0.131 0.000 2.394 399 I HA -0.114 4.056 4.170 0.000 0.000 0.251 399 I C 2.345 178.345 176.117 -0.194 0.000 1.136 399 I CA 1.169 62.372 61.300 -0.162 0.000 1.425 399 I CB -1.644 36.249 38.000 -0.179 0.000 1.079 399 I HN 0.208 nan 8.210 nan 0.000 0.425 400 A N 0.583 123.280 122.820 -0.205 0.000 1.877 400 A HA -0.240 4.080 4.320 0.000 0.000 0.216 400 A C 2.639 179.884 177.584 -0.564 0.000 1.186 400 A CA 2.285 54.109 52.037 -0.354 0.000 0.620 400 A CB -0.871 17.999 19.000 -0.216 0.000 0.822 400 A HN 0.435 nan 8.150 nan 0.000 0.443 401 S N -0.246 115.290 115.700 -0.273 0.000 2.363 401 S HA -0.179 4.291 4.470 0.000 0.000 0.218 401 S C 1.896 176.417 174.600 -0.133 0.000 1.035 401 S CA 1.697 59.810 58.200 -0.145 0.000 1.043 401 S CB -0.681 62.490 63.200 -0.048 0.000 0.986 401 S HN 0.425 nan 8.310 nan 0.000 0.423 402 L N 1.025 122.183 121.223 -0.107 0.000 2.283 402 L HA -0.164 4.176 4.340 0.000 0.000 0.217 402 L C 2.421 179.243 176.870 -0.079 0.000 1.104 402 L CA 1.137 55.932 54.840 -0.074 0.000 0.772 402 L CB -0.557 41.443 42.059 -0.099 0.000 0.899 402 L HN 0.431 nan 8.230 nan 0.000 0.439 403 L N -1.057 120.069 121.223 -0.162 0.000 2.007 403 L HA -0.181 4.159 4.340 0.000 0.000 0.205 403 L C 2.410 179.285 176.870 0.009 0.000 1.073 403 L CA 1.774 56.541 54.840 -0.120 0.000 0.744 403 L CB -0.595 41.332 42.059 -0.220 0.000 0.898 403 L HN 0.249 nan 8.230 nan 0.000 0.435 404 H N -0.648 118.421 119.070 -0.002 0.000 2.387 404 H HA -0.044 4.512 4.556 0.000 0.000 0.299 404 H C 1.416 176.749 175.328 0.008 0.000 1.090 404 H CA 0.983 57.033 56.048 0.003 0.000 1.332 404 H CB -0.055 29.708 29.762 0.002 0.000 1.386 404 H HN 0.286 nan 8.280 nan 0.000 0.516 405 R N 1.058 121.631 120.500 0.122 0.000 2.340 405 R HA -0.046 4.294 4.340 0.000 0.000 0.215 405 R C 0.179 176.519 176.300 0.066 0.000 1.017 405 R CA 0.073 56.220 56.100 0.078 0.000 1.111 405 R CB 0.155 30.490 30.300 0.060 0.000 1.049 405 R HN 0.315 nan 8.270 nan 0.000 0.490 406 Q N -0.032 119.809 119.800 0.069 0.000 2.450 406 Q HA -0.221 4.119 4.340 0.000 0.000 0.255 406 Q C 0.215 176.259 176.000 0.072 0.000 1.003 406 Q CA 0.976 56.815 55.803 0.060 0.000 1.097 406 Q CB -0.808 27.960 28.738 0.050 0.000 1.544 406 Q HN 0.331 nan 8.270 nan 0.000 0.531 407 Q N -0.598 119.251 119.800 0.081 0.000 2.222 407 Q HA 0.207 4.547 4.340 0.000 0.000 0.206 407 Q C -0.002 176.098 176.000 0.168 0.000 0.877 407 Q CA 0.274 56.168 55.803 0.152 0.000 0.958 407 Q CB 0.541 29.373 28.738 0.157 0.000 1.075 407 Q HN 0.463 nan 8.270 nan 0.000 0.483 408 L N 3.115 124.372 121.223 0.056 0.000 2.295 408 L HA 0.294 4.634 4.340 0.000 0.000 0.285 408 L C -1.732 175.145 176.870 0.012 0.000 1.035 408 L CA -1.859 52.957 54.840 -0.041 0.000 0.806 408 L CB 1.559 43.573 42.059 -0.075 0.000 1.214 408 L HN -0.181 nan 8.230 nan 0.000 0.426 409 P HA 0.050 nan 4.420 nan 0.000 0.237 409 P C 1.063 178.356 177.300 -0.013 0.000 1.723 409 P CA -0.055 63.068 63.100 0.039 0.000 0.882 409 P CB -0.027 31.703 31.700 0.050 0.000 1.810 410 L N -0.634 120.580 121.223 -0.015 0.000 2.151 410 L HA -0.267 4.073 4.340 0.000 0.000 0.215 410 L C 2.155 179.008 176.870 -0.030 0.000 1.084 410 L CA 1.512 56.337 54.840 -0.024 0.000 0.764 410 L CB -1.290 40.764 42.059 -0.008 0.000 0.891 410 L HN 0.132 nan 8.230 nan 0.000 0.435 411 N N -0.069 118.621 118.700 -0.016 0.000 2.381 411 N HA -0.097 4.643 4.740 0.000 0.000 0.182 411 N C 0.517 176.004 175.510 -0.040 0.000 1.025 411 N CA 0.721 53.758 53.050 -0.021 0.000 0.888 411 N CB -0.143 38.340 38.487 -0.006 0.000 0.965 411 N HN 0.392 nan 8.380 nan 0.000 0.438 412 N N 0.298 118.970 118.700 -0.047 0.000 2.483 412 N HA 0.172 4.912 4.740 0.000 0.000 0.267 412 N C 0.561 175.992 175.510 -0.132 0.000 0.998 412 N CA -0.224 52.784 53.050 -0.071 0.000 0.918 412 N CB 1.001 39.467 38.487 -0.036 0.000 1.215 412 N HN -0.068 nan 8.380 nan 0.000 0.500 413 L N 2.634 123.729 121.223 -0.213 0.000 1.988 413 L HA -0.094 4.246 4.340 0.000 0.000 0.207 413 L C 2.541 179.141 176.870 -0.450 0.000 1.071 413 L CA 1.315 55.899 54.840 -0.427 0.000 0.744 413 L CB -0.514 41.203 42.059 -0.571 0.000 0.893 413 L HN 0.641 nan 8.230 nan 0.000 0.433 414 A N -0.678 121.962 122.820 -0.300 0.000 2.054 414 A HA -0.259 4.061 4.320 0.000 0.000 0.223 414 A C 2.245 179.793 177.584 -0.059 0.000 1.169 414 A CA 2.595 54.541 52.037 -0.152 0.000 0.655 414 A CB -0.827 18.126 19.000 -0.079 0.000 0.812 414 A HN 0.480 nan 8.150 nan 0.000 0.462 415 T N -1.005 113.506 114.554 -0.071 0.000 2.976 415 T HA 0.049 4.399 4.350 0.000 0.000 0.257 415 T C 1.760 176.434 174.700 -0.044 0.000 1.051 415 T CA 0.926 63.013 62.100 -0.022 0.000 1.141 415 T CB -0.192 68.679 68.868 0.004 0.000 0.881 415 T HN 0.317 nan 8.240 nan 0.000 0.461 416 L N 0.810 121.983 121.223 -0.083 0.000 2.046 416 L HA 0.100 4.440 4.340 0.000 0.000 0.208 416 L C 1.931 178.847 176.870 0.077 0.000 1.077 416 L CA 1.675 56.472 54.840 -0.071 0.000 0.747 416 L CB -0.808 41.206 42.059 -0.075 0.000 0.896 416 L HN 0.303 nan 8.230 nan 0.000 0.432 417 F N -0.423 119.498 119.950 -0.049 0.000 2.051 417 F HA -0.283 4.244 4.527 0.000 0.000 0.296 417 F C 2.563 178.354 175.800 -0.014 0.000 1.122 417 F CA 0.598 58.611 58.000 0.022 0.000 1.201 417 F CB -0.652 38.420 39.000 0.119 0.000 0.978 417 F HN 0.243 nan 8.300 nan 0.000 0.472 418 A N 0.134 123.080 122.820 0.209 0.000 1.997 418 A HA -0.264 4.056 4.320 0.000 0.000 0.221 418 A C 1.948 179.544 177.584 0.021 0.000 1.172 418 A CA 1.849 53.948 52.037 0.103 0.000 0.645 418 A CB -0.988 18.057 19.000 0.074 0.000 0.813 418 A HN 0.418 nan 8.150 nan 0.000 0.454 419 L N -0.349 120.843 121.223 -0.052 0.000 2.023 419 L HA -0.006 4.334 4.340 0.000 0.000 0.205 419 L C 2.253 179.024 176.870 -0.165 0.000 1.073 419 L CA 1.627 56.371 54.840 -0.160 0.000 0.745 419 L CB -0.439 41.404 42.059 -0.360 0.000 0.900 419 L HN 0.415 nan 8.230 nan 0.000 0.435 420 I N -0.188 120.259 120.570 -0.205 0.000 2.163 420 I HA -0.277 3.893 4.170 0.000 0.000 0.243 420 I C 2.470 178.456 176.117 -0.218 0.000 1.085 420 I CA 1.453 62.562 61.300 -0.317 0.000 1.347 420 I CB -1.155 36.453 38.000 -0.653 0.000 1.044 420 I HN 0.474 nan 8.210 nan 0.000 0.408 421 G N -0.009 108.739 108.800 -0.087 0.000 2.476 421 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 421 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 421 G C 1.443 176.352 174.900 0.015 0.000 1.164 421 G CA 0.570 45.703 45.100 0.054 0.000 0.768 421 G HN 0.430 nan 8.290 nan 0.000 0.560 422 E N 0.264 120.460 120.200 -0.006 0.000 2.438 422 E HA 0.013 4.363 4.350 0.000 0.000 0.192 422 E C 1.661 178.246 176.600 -0.025 0.000 1.110 422 E CA 0.002 56.400 56.400 -0.003 0.000 0.893 422 E CB -0.026 29.678 29.700 0.007 0.000 0.990 422 E HN 0.371 nan 8.360 nan 0.000 0.490 423 R N -1.064 119.403 120.500 -0.054 0.000 2.561 423 R HA 0.171 4.511 4.340 0.000 0.000 0.213 423 R C 2.270 178.532 176.300 -0.063 0.000 0.885 423 R CA -0.159 55.904 56.100 -0.062 0.000 1.002 423 R CB -0.050 30.192 30.300 -0.097 0.000 1.432 423 R HN 0.161 nan 8.270 nan 0.000 0.651 424 L N 1.494 122.671 121.223 -0.076 0.000 2.012 424 L HA -0.157 4.183 4.340 0.000 0.000 0.210 424 L C 2.440 179.282 176.870 -0.047 0.000 1.073 424 L CA 2.241 57.036 54.840 -0.075 0.000 0.748 424 L CB -1.162 40.851 42.059 -0.077 0.000 0.891 424 L HN 0.250 nan 8.230 nan 0.000 0.431 425 T N -2.019 112.521 114.554 -0.023 0.000 2.721 425 T HA -0.179 4.171 4.350 0.000 0.000 0.268 425 T C 1.797 176.490 174.700 -0.013 0.000 1.038 425 T CA 1.530 63.623 62.100 -0.012 0.000 1.145 425 T CB -0.912 67.956 68.868 0.001 0.000 0.858 425 T HN 0.127 nan 8.240 nan 0.000 0.459 426 V N 2.284 122.189 119.914 -0.015 0.000 2.244 426 V HA -0.150 3.970 4.120 0.000 0.000 0.244 426 V C 3.032 179.118 176.094 -0.014 0.000 1.042 426 V CA 1.739 64.032 62.300 -0.011 0.000 1.006 426 V CB -0.966 30.851 31.823 -0.010 0.000 0.641 426 V HN 0.552 nan 8.190 nan 0.000 0.446 427 V N -0.571 119.328 119.914 -0.024 0.000 2.490 427 V HA -0.088 4.032 4.120 0.000 0.000 0.250 427 V C 1.050 177.134 176.094 -0.017 0.000 1.061 427 V CA 1.432 63.719 62.300 -0.022 0.000 1.064 427 V CB -1.209 30.594 31.823 -0.034 0.000 0.670 427 V HN 0.639 nan 8.190 nan 0.000 0.461 428 M N 0.839 120.424 119.600 -0.025 0.000 2.181 428 M HA 0.827 5.307 4.480 0.000 0.000 0.323 428 M C 0.137 176.432 176.300 -0.007 0.000 1.004 428 M CA -0.163 55.127 55.300 -0.017 0.000 0.941 428 M CB 1.495 34.067 32.600 -0.047 0.000 1.579 428 M HN 0.019 nan 8.290 nan 0.000 0.427 429 G N 1.507 110.311 108.800 0.007 0.000 2.525 429 G HA2 0.780 4.740 3.960 0.000 0.000 0.287 429 G HA3 0.780 4.740 3.960 0.000 0.000 0.287 429 G C 0.065 174.976 174.900 0.018 0.000 1.350 429 G CA -0.448 44.658 45.100 0.010 0.000 1.039 429 G HN 1.284 nan 8.290 nan 0.000 0.513 430 G N -1.851 106.961 108.800 0.020 0.000 2.819 430 G HA2 0.104 4.064 3.960 0.000 0.000 0.682 430 G HA3 0.104 4.064 3.960 0.000 0.000 0.682 430 G C 1.192 176.110 174.900 0.029 0.000 1.481 430 G CA 0.643 45.760 45.100 0.028 0.000 0.904 430 G HN 1.836 nan 8.290 nan 0.000 0.563 431 S N 0.027 115.747 115.700 0.034 0.000 2.380 431 S HA -0.210 4.260 4.470 0.000 0.000 0.229 431 S C 2.494 177.120 174.600 0.043 0.000 1.043 431 S CA 2.416 60.637 58.200 0.036 0.000 1.038 431 S CB -0.624 62.598 63.200 0.037 0.000 0.872 431 S HN 1.453 nan 8.310 nan 0.000 0.456 432 S N 2.100 117.839 115.700 0.065 0.000 2.369 432 S HA -0.086 4.384 4.470 0.000 0.000 0.225 432 S C 2.245 176.835 174.600 -0.017 0.000 1.043 432 S CA 1.499 59.739 58.200 0.066 0.000 1.074 432 S CB -1.498 61.802 63.200 0.166 0.000 0.962 432 S HN 0.803 nan 8.310 nan 0.000 0.433 433 G N 1.145 109.929 108.800 -0.027 0.000 2.574 433 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 433 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 433 G C 1.473 176.371 174.900 -0.003 0.000 1.173 433 G CA 1.480 46.556 45.100 -0.040 0.000 0.772 433 G HN 0.457 nan 8.290 nan 0.000 0.585 434 V N 0.861 120.784 119.914 0.015 0.000 2.343 434 V HA -0.127 3.993 4.120 0.000 0.000 0.247 434 V C 2.926 179.054 176.094 0.058 0.000 1.051 434 V CA 1.605 63.923 62.300 0.030 0.000 1.036 434 V CB -0.476 31.360 31.823 0.022 0.000 0.654 434 V HN 0.348 nan 8.190 nan 0.000 0.451 435 L N -1.367 119.888 121.223 0.054 0.000 2.017 435 L HA -0.193 4.147 4.340 0.000 0.000 0.208 435 L C 2.477 179.395 176.870 0.079 0.000 1.073 435 L CA 1.567 56.451 54.840 0.074 0.000 0.745 435 L CB -0.509 41.580 42.059 0.050 0.000 0.894 435 L HN 0.294 nan 8.230 nan 0.000 0.432 436 M N -0.867 118.754 119.600 0.035 0.000 2.446 436 M HA -0.145 4.335 4.480 0.000 0.000 0.263 436 M C 2.263 178.714 176.300 0.251 0.000 1.066 436 M CA 1.331 56.677 55.300 0.077 0.000 1.087 436 M CB -0.370 32.210 32.600 -0.033 0.000 1.406 436 M HN 0.060 nan 8.290 nan 0.000 0.459 437 S N -0.426 115.375 115.700 0.168 0.000 2.371 437 S HA 0.125 4.595 4.470 0.000 0.000 0.221 437 S C 1.778 176.492 174.600 0.191 0.000 1.036 437 S CA 0.656 58.962 58.200 0.176 0.000 0.965 437 S CB -0.133 63.121 63.200 0.091 0.000 0.845 437 S HN 0.448 nan 8.310 nan 0.000 0.475 438 I N 0.913 121.585 120.570 0.171 0.000 2.248 438 I HA -0.231 3.939 4.170 0.000 0.000 0.248 438 I C 2.073 178.309 176.117 0.199 0.000 1.107 438 I CA 1.271 62.691 61.300 0.200 0.000 1.373 438 I CB -0.380 37.778 38.000 0.263 0.000 1.055 438 I HN 0.242 nan 8.210 nan 0.000 0.418 439 F N 1.805 121.747 119.950 -0.013 0.000 1.997 439 F HA -0.268 4.259 4.527 0.000 0.000 0.296 439 F C 2.261 177.929 175.800 -0.220 0.000 1.160 439 F CA 1.724 59.613 58.000 -0.185 0.000 1.176 439 F CB -0.904 37.857 39.000 -0.399 0.000 0.964 439 F HN -0.135 nan 8.300 nan 0.000 0.484 440 F N 0.356 120.265 119.950 -0.068 0.000 2.095 440 F HA -0.245 4.282 4.527 0.000 0.000 0.298 440 F C 2.564 178.301 175.800 -0.105 0.000 1.104 440 F CA 1.940 59.779 58.000 -0.268 0.000 1.232 440 F CB -1.462 37.439 39.000 -0.164 0.000 0.987 440 F HN -0.034 nan 8.300 nan 0.000 0.475 441 T N 0.025 114.683 114.554 0.174 0.000 2.635 441 T HA -0.295 4.055 4.350 0.000 0.000 0.267 441 T C 2.221 176.970 174.700 0.082 0.000 1.040 441 T CA 1.670 63.845 62.100 0.125 0.000 1.156 441 T CB -0.757 68.178 68.868 0.113 0.000 0.863 441 T HN 0.347 nan 8.240 nan 0.000 0.430 442 A N 1.092 123.941 122.820 0.048 0.000 1.969 442 A HA 0.236 4.556 4.320 0.000 0.000 0.218 442 A C 2.597 180.162 177.584 -0.032 0.000 1.169 442 A CA 1.745 53.794 52.037 0.021 0.000 0.635 442 A CB -0.989 18.027 19.000 0.027 0.000 0.810 442 A HN 0.518 nan 8.150 nan 0.000 0.445 443 A N -0.200 122.548 122.820 -0.120 0.000 1.845 443 A HA 0.102 4.422 4.320 0.000 0.000 0.215 443 A C 2.463 180.135 177.584 0.146 0.000 1.195 443 A CA 1.915 53.888 52.037 -0.107 0.000 0.616 443 A CB -1.576 17.180 19.000 -0.407 0.000 0.832 443 A HN 0.834 nan 8.150 nan 0.000 0.443 444 G N -1.597 107.359 108.800 0.259 0.000 2.499 444 G HA2 -0.225 3.735 3.960 0.000 0.000 0.221 444 G HA3 -0.225 3.735 3.960 0.000 0.000 0.221 444 G C 1.449 176.406 174.900 0.095 0.000 1.109 444 G CA 1.334 46.569 45.100 0.225 0.000 0.749 444 G HN 0.480 nan 8.290 nan 0.000 0.568 445 Q N -0.859 118.983 119.800 0.070 0.000 2.403 445 Q HA 0.238 4.578 4.340 0.000 0.000 0.203 445 Q C 2.113 178.126 176.000 0.023 0.000 0.932 445 Q CA 0.539 56.365 55.803 0.039 0.000 0.945 445 Q CB 0.396 29.156 28.738 0.036 0.000 1.045 445 Q HN 0.396 nan 8.270 nan 0.000 0.511 446 K N -0.869 119.547 120.400 0.026 0.000 2.262 446 K HA 0.195 4.515 4.320 0.000 0.000 0.200 446 K C 1.448 178.055 176.600 0.010 0.000 1.058 446 K CA 0.520 56.813 56.287 0.011 0.000 0.974 446 K CB -0.024 32.477 32.500 0.002 0.000 0.910 446 K HN 0.152 nan 8.250 nan 0.000 0.484 447 L N 0.898 122.134 121.223 0.020 0.000 2.017 447 L HA -0.160 4.181 4.340 0.000 0.000 0.208 447 L C 2.273 179.128 176.870 -0.024 0.000 1.073 447 L CA 1.678 56.507 54.840 -0.018 0.000 0.745 447 L CB -0.489 41.524 42.059 -0.076 0.000 0.894 447 L HN 0.279 nan 8.230 nan 0.000 0.432 448 E N 1.274 121.467 120.200 -0.012 0.000 2.048 448 E HA -0.275 4.075 4.350 0.000 0.000 0.202 448 E C 1.543 178.138 176.600 -0.009 0.000 1.021 448 E CA 1.589 57.983 56.400 -0.010 0.000 0.825 448 E CB -0.273 29.429 29.700 0.004 0.000 0.756 448 E HN 0.576 nan 8.360 nan 0.000 0.454 449 Q N -0.077 119.720 119.800 -0.004 0.000 2.600 449 Q HA 0.192 4.532 4.340 0.000 0.000 0.276 449 Q C 0.319 176.314 176.000 -0.008 0.000 1.006 449 Q CA 0.270 56.070 55.803 -0.005 0.000 0.942 449 Q CB -0.757 27.979 28.738 -0.003 0.000 1.383 449 Q HN 0.272 nan 8.270 nan 0.000 0.414 450 G N 0.268 109.061 108.800 -0.012 0.000 2.274 450 G HA2 -0.048 3.912 3.960 0.000 0.000 0.251 450 G HA3 -0.048 3.912 3.960 0.000 0.000 0.251 450 G C -0.232 174.661 174.900 -0.011 0.000 0.836 450 G CA 0.166 45.258 45.100 -0.013 0.000 1.246 450 G HN 0.937 nan 8.290 nan 0.000 0.355 451 A N 1.868 124.682 122.820 -0.012 0.000 2.587 451 A HA 0.858 5.178 4.320 0.000 0.000 0.293 451 A C -0.027 177.554 177.584 -0.004 0.000 1.087 451 A CA -0.163 51.871 52.037 -0.005 0.000 0.692 451 A CB 1.027 20.027 19.000 -0.000 0.000 1.291 451 A HN 1.762 nan 8.150 nan 0.000 0.407 452 N N -0.077 118.626 118.700 0.005 0.000 2.399 452 N HA 0.272 5.012 4.740 0.000 0.000 0.250 452 N C 0.863 176.391 175.510 0.030 0.000 1.272 452 N CA 0.003 53.060 53.050 0.012 0.000 0.928 452 N CB 0.519 39.017 38.487 0.018 0.000 1.158 452 N HN 0.346 nan 8.380 nan 0.000 0.463 453 V N 0.007 119.946 119.914 0.041 0.000 2.380 453 V HA -0.249 3.871 4.120 0.000 0.000 0.251 453 V C 2.051 178.218 176.094 0.122 0.000 1.063 453 V CA 1.617 63.973 62.300 0.094 0.000 1.055 453 V CB -0.895 30.988 31.823 0.101 0.000 0.657 453 V HN 0.653 nan 8.190 nan 0.000 0.455 454 V N -0.295 119.674 119.914 0.091 0.000 2.667 454 V HA -0.162 3.958 4.120 0.000 0.000 0.252 454 V C 2.391 178.521 176.094 0.060 0.000 1.065 454 V CA 1.643 63.997 62.300 0.090 0.000 1.083 454 V CB -0.590 31.281 31.823 0.079 0.000 0.692 454 V HN 0.571 nan 8.190 nan 0.000 0.468 455 E N 0.167 120.392 120.200 0.043 0.000 2.208 455 E HA -0.061 4.289 4.350 0.000 0.000 0.193 455 E C 2.287 178.893 176.600 0.009 0.000 0.988 455 E CA 1.019 57.432 56.400 0.022 0.000 0.828 455 E CB -0.146 29.562 29.700 0.014 0.000 0.763 455 E HN 0.612 nan 8.360 nan 0.000 0.478 456 A N 0.914 123.749 122.820 0.025 0.000 1.855 456 A HA -0.094 4.226 4.320 0.000 0.000 0.213 456 A C 2.115 179.637 177.584 -0.104 0.000 1.195 456 A CA 0.669 52.710 52.037 0.006 0.000 0.610 456 A CB -0.589 18.479 19.000 0.114 0.000 0.837 456 A HN 0.118 nan 8.150 nan 0.000 0.444 457 L N 0.079 121.254 121.223 -0.079 0.000 2.013 457 L HA -0.268 4.072 4.340 0.000 0.000 0.212 457 L C 2.610 179.426 176.870 -0.090 0.000 1.073 457 L CA 1.715 56.431 54.840 -0.207 0.000 0.753 457 L CB -0.635 41.453 42.059 0.048 0.000 0.890 457 L HN 0.519 nan 8.230 nan 0.000 0.432 458 N N -0.724 117.980 118.700 0.007 0.000 2.166 458 N HA -0.164 4.576 4.740 0.000 0.000 0.186 458 N C 1.705 177.218 175.510 0.005 0.000 1.019 458 N CA 1.896 54.967 53.050 0.036 0.000 0.856 458 N CB 0.119 38.622 38.487 0.027 0.000 0.993 458 N HN 0.290 nan 8.380 nan 0.000 0.426 459 T N -0.613 113.915 114.554 -0.044 0.000 2.896 459 T HA 0.013 4.363 4.350 0.000 0.000 0.263 459 T C 1.696 176.347 174.700 -0.083 0.000 1.050 459 T CA 1.056 63.123 62.100 -0.055 0.000 1.140 459 T CB -0.453 68.382 68.868 -0.055 0.000 0.877 459 T HN 0.387 nan 8.240 nan 0.000 0.457 460 G N 1.357 110.025 108.800 -0.221 0.000 2.462 460 G HA2 -0.149 3.811 3.960 0.000 0.000 0.220 460 G HA3 -0.149 3.811 3.960 0.000 0.000 0.220 460 G C 1.505 176.453 174.900 0.079 0.000 1.121 460 G CA 0.780 45.670 45.100 -0.350 0.000 0.758 460 G HN 0.430 nan 8.290 nan 0.000 0.559 461 L N 1.098 122.451 121.223 0.216 0.000 2.044 461 L HA 0.316 4.656 4.340 0.000 0.000 0.205 461 L C 3.042 179.986 176.870 0.123 0.000 1.075 461 L CA 2.052 57.070 54.840 0.297 0.000 0.747 461 L CB -0.766 41.437 42.059 0.241 0.000 0.903 461 L HN 0.182 nan 8.230 nan 0.000 0.435 462 A N -0.905 121.949 122.820 0.057 0.000 1.948 462 A HA -0.251 4.069 4.320 0.000 0.000 0.220 462 A C 2.173 179.755 177.584 -0.004 0.000 1.177 462 A CA 1.870 53.916 52.037 0.014 0.000 0.636 462 A CB -0.570 18.417 19.000 -0.022 0.000 0.815 462 A HN 0.624 nan 8.150 nan 0.000 0.449 463 Q N -1.248 118.544 119.800 -0.013 0.000 2.083 463 Q HA -0.058 4.282 4.340 0.000 0.000 0.198 463 Q C 2.115 178.117 176.000 0.003 0.000 0.969 463 Q CA 1.482 57.238 55.803 -0.078 0.000 0.838 463 Q CB -0.506 28.229 28.738 -0.005 0.000 0.900 463 Q HN 0.809 nan 8.270 nan 0.000 0.436 464 M N 0.420 120.088 119.600 0.114 0.000 2.202 464 M HA -0.215 4.265 4.480 0.000 0.000 0.262 464 M C 1.512 177.862 176.300 0.085 0.000 1.063 464 M CA 1.520 56.904 55.300 0.141 0.000 1.097 464 M CB 0.144 32.825 32.600 0.136 0.000 1.382 464 M HN 0.021 nan 8.290 nan 0.000 0.413 465 K N -0.902 119.531 120.400 0.055 0.000 2.076 465 K HA -0.091 4.229 4.320 0.000 0.000 0.204 465 K C 1.689 178.298 176.600 0.016 0.000 1.051 465 K CA 1.271 57.578 56.287 0.033 0.000 0.949 465 K CB -0.323 32.197 32.500 0.033 0.000 0.726 465 K HN 0.243 nan 8.250 nan 0.000 0.443 466 F N 0.825 120.677 119.950 -0.163 0.000 2.095 466 F HA -0.250 4.277 4.527 0.000 0.000 0.298 466 F C 1.658 177.367 175.800 -0.152 0.000 1.104 466 F CA 1.611 59.469 58.000 -0.236 0.000 1.232 466 F CB -0.203 38.525 39.000 -0.453 0.000 0.987 466 F HN 0.034 nan 8.300 nan 0.000 0.475 467 Y N -1.080 119.214 120.300 -0.010 0.000 2.301 467 Y HA 0.116 4.666 4.550 0.000 0.000 0.295 467 Y C 2.652 178.500 175.900 -0.087 0.000 1.119 467 Y CA 0.297 58.340 58.100 -0.094 0.000 1.162 467 Y CB -0.943 37.551 38.460 0.057 0.000 1.046 467 Y HN 0.050 nan 8.280 nan 0.000 0.538 468 G N -0.472 108.399 108.800 0.119 0.000 2.534 468 G HA2 0.095 4.055 3.960 0.000 0.000 0.217 468 G HA3 0.095 4.055 3.960 0.000 0.000 0.217 468 G C 1.665 176.567 174.900 0.003 0.000 1.128 468 G CA 0.668 45.804 45.100 0.059 0.000 0.784 468 G HN 0.572 nan 8.290 nan 0.000 0.542 469 G N -1.064 107.713 108.800 -0.039 0.000 2.189 469 G HA2 0.033 3.993 3.960 0.000 0.000 0.267 469 G HA3 0.033 3.993 3.960 0.000 0.000 0.267 469 G C 0.504 175.385 174.900 -0.032 0.000 0.975 469 G CA 0.631 45.696 45.100 -0.059 0.000 0.644 469 G HN 1.460 nan 8.290 nan 0.000 0.537 470 A N -0.162 122.649 122.820 -0.015 0.000 2.309 470 A HA 0.671 4.991 4.320 0.000 0.000 0.298 470 A C 0.062 177.640 177.584 -0.009 0.000 1.165 470 A CA -0.148 51.883 52.037 -0.011 0.000 0.821 470 A CB 0.808 19.805 19.000 -0.005 0.000 1.102 470 A HN 0.230 nan 8.150 nan 0.000 0.500 471 D N 0.149 120.542 120.400 -0.012 0.000 2.506 471 D HA 0.290 4.930 4.640 0.000 0.000 0.254 471 D C -0.477 175.813 176.300 -0.015 0.000 1.089 471 D CA -0.356 53.638 54.000 -0.011 0.000 1.050 471 D CB 1.248 42.041 40.800 -0.010 0.000 1.221 471 D HN 0.703 nan 8.370 nan 0.000 0.589 472 E N -0.724 119.466 120.200 -0.017 0.000 2.324 472 E HA 0.372 4.722 4.350 0.000 0.000 0.271 472 E C 0.519 177.105 176.600 -0.023 0.000 1.028 472 E CA 0.282 56.668 56.400 -0.023 0.000 0.890 472 E CB 0.245 29.929 29.700 -0.027 0.000 1.004 472 E HN 0.628 nan 8.360 nan 0.000 0.431 473 G N 4.334 113.119 108.800 -0.025 0.000 2.211 473 G HA2 -0.189 3.771 3.960 0.000 0.000 0.201 473 G HA3 -0.189 3.771 3.960 0.000 0.000 0.201 473 G C 0.253 175.140 174.900 -0.021 0.000 0.997 473 G CA 0.096 45.182 45.100 -0.023 0.000 0.652 473 G HN 0.641 nan 8.290 nan 0.000 0.500 474 D N 0.979 121.367 120.400 -0.020 0.000 2.325 474 D HA 0.271 4.911 4.640 0.000 0.000 0.234 474 D C 1.244 177.532 176.300 -0.019 0.000 1.122 474 D CA -0.143 53.846 54.000 -0.018 0.000 0.850 474 D CB -0.147 40.643 40.800 -0.016 0.000 0.921 474 D HN 0.568 nan 8.370 nan 0.000 0.513 475 R N -0.302 120.185 120.500 -0.022 0.000 3.209 475 R HA -0.159 4.181 4.340 0.000 0.000 0.252 475 R C 0.003 176.288 176.300 -0.024 0.000 0.958 475 R CA 0.681 56.767 56.100 -0.024 0.000 0.651 475 R CB -2.399 27.887 30.300 -0.023 0.000 1.142 475 R HN 0.185 nan 8.270 nan 0.000 0.441 476 T N -1.222 113.318 114.554 -0.025 0.000 2.838 476 T HA 0.531 4.881 4.350 0.000 0.000 0.292 476 T C 1.388 176.073 174.700 -0.025 0.000 1.113 476 T CA -0.456 61.631 62.100 -0.021 0.000 1.008 476 T CB 1.306 70.166 68.868 -0.014 0.000 1.259 476 T HN 0.354 nan 8.240 nan 0.000 0.520 477 M N 1.368 120.957 119.600 -0.018 0.000 2.460 477 M HA 0.087 4.567 4.480 0.000 0.000 0.263 477 M C 1.233 177.512 176.300 -0.035 0.000 1.071 477 M CA 1.383 56.672 55.300 -0.019 0.000 1.096 477 M CB -0.420 32.184 32.600 0.008 0.000 1.408 477 M HN 0.413 nan 8.290 nan 0.000 0.463 478 I N 1.941 122.490 120.570 -0.035 0.000 2.454 478 I HA -0.223 3.947 4.170 0.000 0.000 0.254 478 I C 1.139 177.230 176.117 -0.043 0.000 1.156 478 I CA 1.477 62.753 61.300 -0.040 0.000 1.433 478 I CB -1.466 36.519 38.000 -0.026 0.000 1.082 478 I HN 0.325 nan 8.210 nan 0.000 0.432 479 D N 0.937 121.312 120.400 -0.042 0.000 2.309 479 D HA -0.057 4.583 4.640 0.000 0.000 0.212 479 D C 1.972 178.231 176.300 -0.067 0.000 0.968 479 D CA 1.134 55.104 54.000 -0.049 0.000 0.882 479 D CB 0.213 40.987 40.800 -0.044 0.000 0.918 479 D HN 0.372 nan 8.370 nan 0.000 0.503 480 A N -0.776 122.003 122.820 -0.069 0.000 2.074 480 A HA 0.224 4.544 4.320 0.000 0.000 0.200 480 A C 1.885 179.393 177.584 -0.126 0.000 1.335 480 A CA -0.269 51.711 52.037 -0.096 0.000 0.922 480 A CB -0.193 18.770 19.000 -0.061 0.000 0.972 480 A HN 0.130 nan 8.150 nan 0.000 0.475 481 L N -0.363 120.811 121.223 -0.082 0.000 1.961 481 L HA -0.236 4.104 4.340 0.000 0.000 0.210 481 L C 2.791 179.601 176.870 -0.100 0.000 1.072 481 L CA 2.267 57.061 54.840 -0.075 0.000 0.749 481 L CB -0.422 41.597 42.059 -0.067 0.000 0.889 481 L HN 0.625 nan 8.230 nan 0.000 0.432 482 Q N -0.099 119.661 119.800 -0.067 0.000 2.012 482 Q HA -0.249 4.091 4.340 0.000 0.000 0.211 482 Q C -0.592 175.355 176.000 -0.089 0.000 1.009 482 Q CA 3.033 58.804 55.803 -0.054 0.000 0.866 482 Q CB -1.001 27.713 28.738 -0.040 0.000 0.945 482 Q HN 0.271 nan 8.270 nan 0.000 0.414 483 P HA -0.253 nan 4.420 nan 0.000 0.216 483 P C 0.753 177.943 177.300 -0.185 0.000 1.157 483 P CA 2.337 65.358 63.100 -0.132 0.000 0.880 483 P CB -0.284 31.331 31.700 -0.142 0.000 0.791 484 A N -0.857 121.786 122.820 -0.295 0.000 1.883 484 A HA -0.185 4.136 4.320 0.000 0.000 0.217 484 A C 2.249 179.646 177.584 -0.311 0.000 1.186 484 A CA 1.644 53.385 52.037 -0.494 0.000 0.624 484 A CB -1.677 16.678 19.000 -1.075 0.000 0.822 484 A HN 0.120 nan 8.150 nan 0.000 0.444 485 L N -1.002 120.116 121.223 -0.174 0.000 2.156 485 L HA -0.111 4.229 4.340 0.000 0.000 0.208 485 L C 2.610 179.465 176.870 -0.025 0.000 1.095 485 L CA 1.532 56.355 54.840 -0.029 0.000 0.770 485 L CB -0.701 41.387 42.059 0.047 0.000 0.914 485 L HN 0.322 nan 8.230 nan 0.000 0.439 486 T N -1.505 113.018 114.554 -0.050 0.000 2.915 486 T HA -0.152 4.198 4.350 0.000 0.000 0.269 486 T C 2.130 176.808 174.700 -0.036 0.000 1.071 486 T CA 1.515 63.593 62.100 -0.035 0.000 1.132 486 T CB 0.030 68.873 68.868 -0.042 0.000 0.878 486 T HN 0.243 nan 8.240 nan 0.000 0.479 487 S N 0.369 116.034 115.700 -0.059 0.000 2.414 487 S HA 0.148 4.618 4.470 0.000 0.000 0.227 487 S C 1.861 176.456 174.600 -0.009 0.000 1.022 487 S CA 0.405 58.579 58.200 -0.043 0.000 0.958 487 S CB -0.245 62.912 63.200 -0.072 0.000 0.797 487 S HN 0.429 nan 8.310 nan 0.000 0.493 488 L N 0.723 121.949 121.223 0.004 0.000 2.313 488 L HA 0.086 4.426 4.340 0.000 0.000 0.214 488 L C 2.075 178.969 176.870 0.040 0.000 1.119 488 L CA 0.311 55.178 54.840 0.046 0.000 0.809 488 L CB -0.284 41.832 42.059 0.095 0.000 0.933 488 L HN 0.320 nan 8.230 nan 0.000 0.449 489 L N -0.358 120.880 121.223 0.025 0.000 2.291 489 L HA -0.022 4.318 4.340 0.000 0.000 0.214 489 L C 2.276 179.155 176.870 0.015 0.000 1.120 489 L CA 1.465 56.318 54.840 0.021 0.000 0.799 489 L CB -0.505 41.562 42.059 0.013 0.000 0.925 489 L HN 0.134 nan 8.230 nan 0.000 0.446 490 A N -1.235 121.591 122.820 0.011 0.000 1.922 490 A HA 0.056 4.376 4.320 0.000 0.000 0.216 490 A C 0.943 178.536 177.584 0.015 0.000 1.370 490 A CA 0.202 52.244 52.037 0.008 0.000 0.627 490 A CB -0.202 18.799 19.000 0.002 0.000 1.060 490 A HN 0.425 nan 8.150 nan 0.000 0.487 491 Q N 0.270 120.081 119.800 0.018 0.000 2.655 491 Q HA 0.247 4.587 4.340 0.000 0.000 0.228 491 Q C -2.169 173.854 176.000 0.038 0.000 1.186 491 Q CA -1.938 53.880 55.803 0.025 0.000 1.004 491 Q CB 0.766 29.519 28.738 0.025 0.000 1.242 491 Q HN 0.321 nan 8.270 nan 0.000 0.558 492 P HA -0.192 nan 4.420 nan 0.000 0.220 492 P C 0.730 178.067 177.300 0.063 0.000 1.144 492 P CA 1.333 64.464 63.100 0.052 0.000 0.800 492 P CB 0.282 32.008 31.700 0.043 0.000 0.772 493 K N -2.248 118.184 120.400 0.054 0.000 2.355 493 K HA 0.080 4.400 4.320 0.000 0.000 0.198 493 K C 0.455 177.094 176.600 0.064 0.000 1.039 493 K CA -0.125 56.196 56.287 0.057 0.000 1.075 493 K CB 0.104 32.630 32.500 0.043 0.000 0.870 493 K HN -0.056 nan 8.250 nan 0.000 0.540 494 N N 2.141 120.880 118.700 0.065 0.000 2.555 494 N HA 0.054 4.794 4.740 0.000 0.000 0.244 494 N C 0.665 176.235 175.510 0.100 0.000 1.114 494 N CA 0.103 53.195 53.050 0.069 0.000 0.963 494 N CB 0.383 38.903 38.487 0.054 0.000 1.276 494 N HN 0.132 nan 8.380 nan 0.000 0.510 495 L N 1.575 122.869 121.223 0.118 0.000 2.240 495 L HA -0.092 4.248 4.340 0.000 0.000 0.211 495 L C 2.123 179.117 176.870 0.207 0.000 1.106 495 L CA 0.585 55.531 54.840 0.176 0.000 0.793 495 L CB -0.090 42.063 42.059 0.155 0.000 0.927 495 L HN 0.467 nan 8.230 nan 0.000 0.446 496 Q N 0.750 120.645 119.800 0.158 0.000 2.046 496 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 496 Q C 2.254 178.376 176.000 0.204 0.000 0.975 496 Q CA 2.037 57.958 55.803 0.196 0.000 0.836 496 Q CB -0.234 28.578 28.738 0.124 0.000 0.896 496 Q HN 0.375 nan 8.270 nan 0.000 0.428 497 A N 0.566 123.456 122.820 0.117 0.000 1.892 497 A HA -0.152 4.168 4.320 0.000 0.000 0.218 497 A C 2.318 179.916 177.584 0.022 0.000 1.188 497 A CA 2.369 54.443 52.037 0.060 0.000 0.631 497 A CB -1.358 17.666 19.000 0.039 0.000 0.822 497 A HN 0.555 nan 8.150 nan 0.000 0.447 498 A N -1.397 121.446 122.820 0.039 0.000 1.969 498 A HA 0.053 4.373 4.320 0.000 0.000 0.218 498 A C 2.009 179.529 177.584 -0.106 0.000 1.169 498 A CA 1.546 53.538 52.037 -0.076 0.000 0.635 498 A CB -0.672 18.308 19.000 -0.033 0.000 0.810 498 A HN 0.796 nan 8.150 nan 0.000 0.445 499 F N 1.371 121.326 119.950 0.009 0.000 2.051 499 F HA -0.184 4.343 4.527 0.000 0.000 0.296 499 F C 1.712 177.507 175.800 -0.009 0.000 1.122 499 F CA 2.167 60.201 58.000 0.057 0.000 1.201 499 F CB -0.787 38.274 39.000 0.101 0.000 0.978 499 F HN 0.307 nan 8.300 nan 0.000 0.472 500 D N 0.234 120.405 120.400 -0.381 0.000 2.133 500 D HA -0.228 4.412 4.640 0.000 0.000 0.195 500 D C 2.306 178.364 176.300 -0.402 0.000 0.997 500 D CA 1.810 55.525 54.000 -0.475 0.000 0.840 500 D CB -0.451 40.289 40.800 -0.100 0.000 0.947 500 D HN 0.400 nan 8.370 nan 0.000 0.452 501 A N 0.363 123.017 122.820 -0.278 0.000 1.892 501 A HA -0.105 4.215 4.320 0.000 0.000 0.218 501 A C 2.328 179.745 177.584 -0.278 0.000 1.188 501 A CA 2.539 54.435 52.037 -0.236 0.000 0.631 501 A CB -1.105 17.772 19.000 -0.206 0.000 0.822 501 A HN 0.319 nan 8.150 nan 0.000 0.447 502 A N -1.308 121.298 122.820 -0.357 0.000 1.873 502 A HA -0.173 4.147 4.320 0.000 0.000 0.215 502 A C 2.149 179.569 177.584 -0.274 0.000 1.186 502 A CA 2.101 53.960 52.037 -0.297 0.000 0.616 502 A CB -0.585 18.254 19.000 -0.269 0.000 0.823 502 A HN 0.502 nan 8.150 nan 0.000 0.442 503 Q N 0.065 119.594 119.800 -0.452 0.000 2.135 503 Q HA -0.110 4.231 4.340 0.000 0.000 0.204 503 Q C 1.977 177.846 176.000 -0.219 0.000 0.981 503 Q CA 2.199 57.778 55.803 -0.372 0.000 0.856 503 Q CB -0.652 27.692 28.738 -0.657 0.000 0.902 503 Q HN 0.582 nan 8.270 nan 0.000 0.425 504 A N -0.592 122.095 122.820 -0.221 0.000 1.855 504 A HA 0.032 4.352 4.320 0.000 0.000 0.215 504 A C 2.311 179.830 177.584 -0.109 0.000 1.191 504 A CA 1.507 53.460 52.037 -0.139 0.000 0.613 504 A CB -1.351 17.571 19.000 -0.130 0.000 0.829 504 A HN 0.523 nan 8.150 nan 0.000 0.442 505 G N -0.348 108.379 108.800 -0.122 0.000 2.446 505 G HA2 -0.028 3.932 3.960 0.000 0.000 0.217 505 G HA3 -0.028 3.932 3.960 0.000 0.000 0.217 505 G C 1.747 176.602 174.900 -0.075 0.000 1.168 505 G CA 1.557 46.601 45.100 -0.093 0.000 0.771 505 G HN 0.851 nan 8.290 nan 0.000 0.551 506 A N 0.671 123.442 122.820 -0.081 0.000 1.978 506 A HA -0.059 4.261 4.320 0.000 0.000 0.220 506 A C 2.155 179.714 177.584 -0.041 0.000 1.170 506 A CA 2.011 54.016 52.037 -0.053 0.000 0.636 506 A CB -0.342 18.632 19.000 -0.044 0.000 0.810 506 A HN 0.499 nan 8.150 nan 0.000 0.448 507 E N -0.759 119.411 120.200 -0.050 0.000 2.158 507 E HA -0.105 4.245 4.350 0.000 0.000 0.191 507 E C 2.257 178.837 176.600 -0.033 0.000 0.982 507 E CA 0.625 57.004 56.400 -0.036 0.000 0.823 507 E CB -0.075 29.601 29.700 -0.040 0.000 0.766 507 E HN 0.587 nan 8.360 nan 0.000 0.468 508 R N 0.325 120.801 120.500 -0.040 0.000 2.081 508 R HA -0.110 4.230 4.340 0.000 0.000 0.235 508 R C 2.623 178.906 176.300 -0.029 0.000 1.131 508 R CA 1.784 57.863 56.100 -0.034 0.000 0.960 508 R CB -0.742 29.535 30.300 -0.039 0.000 0.856 508 R HN 0.237 nan 8.270 nan 0.000 0.436 509 T N -2.004 112.532 114.554 -0.031 0.000 2.946 509 T HA -0.174 4.176 4.350 0.000 0.000 0.271 509 T C 2.020 176.706 174.700 -0.024 0.000 1.104 509 T CA 1.123 63.207 62.100 -0.028 0.000 1.114 509 T CB -0.518 68.332 68.868 -0.030 0.000 0.867 509 T HN 0.306 nan 8.240 nan 0.000 0.513 510 C N 0.281 119.568 119.300 -0.021 0.000 2.514 510 C HA 0.437 4.897 4.460 0.000 0.000 0.271 510 C C 1.855 176.835 174.990 -0.016 0.000 1.399 510 C CA -0.272 58.736 59.018 -0.017 0.000 1.765 510 C CB -1.313 26.419 27.740 -0.012 0.000 1.893 510 C HN 0.639 nan 8.230 nan 0.000 0.531 511 L N 1.245 122.457 121.223 -0.018 0.000 2.851 511 L HA 0.179 4.519 4.340 0.000 0.000 0.237 511 L C 0.656 177.516 176.870 -0.016 0.000 1.257 511 L CA 0.307 55.137 54.840 -0.016 0.000 1.061 511 L CB -0.374 41.675 42.059 -0.017 0.000 1.372 511 L HN 0.442 nan 8.230 nan 0.000 0.493 512 S N -3.009 112.681 115.700 -0.017 0.000 2.630 512 S HA 0.129 4.599 4.470 0.000 0.000 0.173 512 S C -0.248 174.342 174.600 -0.017 0.000 1.048 512 S CA -0.611 57.579 58.200 -0.016 0.000 1.172 512 S CB 0.464 63.654 63.200 -0.017 0.000 1.638 512 S HN 0.117 nan 8.310 nan 0.000 0.429 513 S N 1.177 116.867 115.700 -0.016 0.000 2.655 513 S HA 0.647 5.117 4.470 0.000 0.000 0.265 513 S C 0.438 175.029 174.600 -0.015 0.000 1.240 513 S CA -0.237 57.953 58.200 -0.017 0.000 0.986 513 S CB 1.225 64.415 63.200 -0.017 0.000 0.985 513 S HN 0.649 nan 8.310 nan 0.000 0.562 514 K N -0.080 120.310 120.400 -0.016 0.000 2.652 514 K HA 0.284 4.604 4.320 0.000 0.000 0.169 514 K C -0.130 176.461 176.600 -0.015 0.000 1.238 514 K CA -0.094 56.185 56.287 -0.014 0.000 1.147 514 K CB 0.299 32.790 32.500 -0.013 0.000 0.985 514 K HN 0.660 nan 8.250 nan 0.000 0.508 530 G N -1.191 107.607 108.800 -0.003 0.000 3.192 530 G HA2 0.106 4.066 3.960 0.000 0.000 0.239 530 G HA3 0.106 4.066 3.960 0.000 0.000 0.239 530 G C 0.641 175.519 174.900 -0.035 0.000 1.084 530 G CA -0.016 45.070 45.100 -0.025 0.000 0.784 530 G HN 0.393 nan 8.290 nan 0.000 0.540 531 N N 0.010 118.695 118.700 -0.024 0.000 2.236 531 N HA 0.210 4.950 4.740 0.000 0.000 0.196 531 N C 0.705 176.198 175.510 -0.028 0.000 1.114 531 N CA -0.350 52.684 53.050 -0.027 0.000 0.859 531 N CB 0.466 38.941 38.487 -0.020 0.000 0.982 531 N HN 0.227 nan 8.380 nan 0.000 0.493 532 M N 1.824 121.410 119.600 -0.024 0.000 2.248 532 M HA -0.034 4.446 4.480 0.000 0.000 0.345 532 M C -0.351 175.926 176.300 -0.038 0.000 1.243 532 M CA 0.249 55.536 55.300 -0.021 0.000 1.090 532 M CB 0.502 33.104 32.600 0.004 0.000 1.683 532 M HN -0.043 nan 8.290 nan 0.000 0.450 533 D N 6.041 126.418 120.400 -0.039 0.000 2.371 533 D HA 0.169 4.809 4.640 0.000 0.000 0.256 533 D C -1.964 174.294 176.300 -0.071 0.000 1.193 533 D CA -1.489 52.480 54.000 -0.053 0.000 0.881 533 D CB 1.140 41.913 40.800 -0.045 0.000 1.143 533 D HN 0.304 nan 8.370 nan 0.000 0.473 534 P HA -0.139 nan 4.420 nan 0.000 0.216 534 P C 1.332 178.499 177.300 -0.222 0.000 1.157 534 P CA 1.484 64.486 63.100 -0.163 0.000 0.880 534 P CB 0.056 31.631 31.700 -0.209 0.000 0.791 535 G N 0.112 108.784 108.800 -0.213 0.000 2.545 535 G HA2 -0.326 3.634 3.960 0.000 0.000 0.217 535 G HA3 -0.326 3.634 3.960 0.000 0.000 0.217 535 G C 1.690 176.541 174.900 -0.081 0.000 1.218 535 G CA 1.516 46.510 45.100 -0.177 0.000 0.787 535 G HN 0.356 nan 8.290 nan 0.000 0.571 536 A N 0.567 123.356 122.820 -0.051 0.000 1.869 536 A HA -0.269 4.051 4.320 0.000 0.000 0.218 536 A C 2.358 179.940 177.584 -0.003 0.000 1.203 536 A CA 2.863 54.886 52.037 -0.024 0.000 0.638 536 A CB -0.924 18.058 19.000 -0.030 0.000 0.831 536 A HN 0.511 nan 8.150 nan 0.000 0.450 537 Q N -0.265 119.530 119.800 -0.008 0.000 2.029 537 Q HA -0.168 4.172 4.340 0.000 0.000 0.209 537 Q C 2.055 178.078 176.000 0.038 0.000 0.999 537 Q CA 3.057 58.876 55.803 0.026 0.000 0.857 537 Q CB -0.778 27.988 28.738 0.046 0.000 0.926 537 Q HN 0.625 nan 8.270 nan 0.000 0.415 538 A N 0.305 123.117 122.820 -0.014 0.000 1.896 538 A HA -0.269 4.051 4.320 0.000 0.000 0.220 538 A C 2.219 179.864 177.584 0.102 0.000 1.206 538 A CA 1.967 54.011 52.037 0.011 0.000 0.647 538 A CB -1.233 17.697 19.000 -0.116 0.000 0.828 538 A HN 0.519 nan 8.150 nan 0.000 0.455 539 L N -0.993 120.298 121.223 0.112 0.000 1.970 539 L HA -0.202 4.138 4.340 0.000 0.000 0.212 539 L C 3.099 180.137 176.870 0.280 0.000 1.071 539 L CA 1.709 56.663 54.840 0.191 0.000 0.751 539 L CB -0.509 41.639 42.059 0.149 0.000 0.889 539 L HN 0.447 nan 8.230 nan 0.000 0.432 540 A N -0.845 122.095 122.820 0.201 0.000 1.892 540 A HA -0.295 4.025 4.320 0.000 0.000 0.218 540 A C 2.183 179.971 177.584 0.340 0.000 1.188 540 A CA 2.258 54.434 52.037 0.232 0.000 0.631 540 A CB -0.576 18.482 19.000 0.098 0.000 0.822 540 A HN 0.437 nan 8.150 nan 0.000 0.447 541 M N -0.537 119.195 119.600 0.222 0.000 2.358 541 M HA -0.066 4.414 4.480 0.000 0.000 0.264 541 M C 2.082 178.467 176.300 0.142 0.000 1.064 541 M CA 0.891 56.294 55.300 0.172 0.000 1.093 541 M CB -1.456 31.196 32.600 0.087 0.000 1.401 541 M HN 0.247 nan 8.290 nan 0.000 0.440 542 V N -0.551 119.451 119.914 0.147 0.000 2.255 542 V HA -0.212 3.908 4.120 0.000 0.000 0.243 542 V C 2.077 178.174 176.094 0.005 0.000 1.038 542 V CA 1.580 63.900 62.300 0.033 0.000 1.008 542 V CB -0.694 31.106 31.823 -0.038 0.000 0.645 542 V HN 0.207 nan 8.190 nan 0.000 0.449 543 F N 0.557 120.603 119.950 0.160 0.000 2.333 543 F HA -0.130 4.397 4.527 0.000 0.000 0.300 543 F C 2.353 178.288 175.800 0.226 0.000 1.083 543 F CA 1.786 59.906 58.000 0.199 0.000 1.395 543 F CB -0.275 38.857 39.000 0.220 0.000 1.056 543 F HN 0.074 nan 8.300 nan 0.000 0.529 544 K N 0.612 121.229 120.400 0.363 0.000 2.062 544 K HA -0.109 4.211 4.320 0.000 0.000 0.205 544 K C 2.315 178.833 176.600 -0.138 0.000 1.051 544 K CA 1.060 57.249 56.287 -0.163 0.000 0.941 544 K CB -0.247 32.129 32.500 -0.206 0.000 0.719 544 K HN 0.175 nan 8.250 nan 0.000 0.440 545 A N 1.863 124.663 122.820 -0.033 0.000 1.865 545 A HA -0.155 4.165 4.320 0.000 0.000 0.217 545 A C 2.159 179.722 177.584 -0.036 0.000 1.191 545 A CA 1.514 53.526 52.037 -0.042 0.000 0.623 545 A CB -0.791 18.195 19.000 -0.023 0.000 0.826 545 A HN 0.323 nan 8.150 nan 0.000 0.444 546 L N -0.809 120.403 121.223 -0.019 0.000 2.012 546 L HA -0.255 4.085 4.340 0.000 0.000 0.210 546 L C 3.106 179.986 176.870 0.017 0.000 1.073 546 L CA 1.358 56.197 54.840 -0.002 0.000 0.748 546 L CB -0.786 41.270 42.059 -0.004 0.000 0.891 546 L HN 0.460 nan 8.230 nan 0.000 0.431 547 A N -0.037 122.800 122.820 0.027 0.000 1.933 547 A HA -0.169 4.151 4.320 0.000 0.000 0.218 547 A C 1.555 179.114 177.584 -0.042 0.000 1.175 547 A CA 1.141 53.184 52.037 0.010 0.000 0.628 547 A CB -0.463 18.540 19.000 0.004 0.000 0.814 547 A HN 0.501 nan 8.150 nan 0.000 0.444 548 E N 0.470 120.619 120.200 -0.085 0.000 2.594 548 E HA 0.162 4.512 4.350 0.000 0.000 0.300 548 E C 0.295 176.870 176.600 -0.041 0.000 1.568 548 E CA 0.430 56.783 56.400 -0.078 0.000 1.811 548 E CB -0.366 29.269 29.700 -0.107 0.000 1.458 548 E HN 0.667 nan 8.360 nan 0.000 0.470 549 S N -1.129 114.558 115.700 -0.022 0.000 2.474 549 S HA 0.059 4.529 4.470 0.000 0.000 0.223 549 S C 0.101 174.702 174.600 0.002 0.000 0.880 549 S CA -0.559 57.636 58.200 -0.009 0.000 1.579 549 S CB 0.423 63.618 63.200 -0.008 0.000 1.264 549 S HN 0.047 nan 8.310 nan 0.000 0.616 550 E N 0.000 120.204 120.200 0.007 0.000 2.725 550 E HA 0.000 4.350 4.350 0.000 0.000 0.291 550 E CA 0.000 56.411 56.400 0.018 0.000 0.976 550 E CB 0.000 29.718 29.700 0.030 0.000 0.812 550 E HN 0.000 nan 8.360 nan 0.000 0.440