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 3iyj_1_F DATA FIRST_RESID 14 DATA SEQUENCE PTPVSKVLCS ETYVQRKSIF YHAETERLLT IGHPYYPVSI GAKTVPKVSA DATA SEQUENCE NQYRVFKIQL PDPNQFALPD RTVHNPSKER LVWAVIGVQV SRGQPLGGTV DATA SEQUENCE TGHPTFNALL DAENVNRKVT TQTTDDRKQT GLDAKQQQIL LLGCTPAEGE DATA SEQUENCE YWTTARPCVT DRLENGACPP LELKNKHIED GDMMEIGFGA ANFKEINASK DATA SEQUENCE SDLPLDIQNE ICLYPDYLKM AEDAAGNSMF FFARKEQVYV RHIWTRGGSE DATA SEQUENCE KEAPTTDFYL KNNKGDATLK IPSVHFGSPS GSLVSTDNQI FNRPYWLFRA DATA SEQUENCE QGMNNGIAWN NLLFLTVGDN TRGTNLTISV ASDGTPLTEY DSSKFNVYHR DATA SEQUENCE HMEEYKLAFI LELCSVEITA QTVSHLQGLM PSVLENWEIG VQPPTSSILE DATA SEQUENCE DTYRYIESPA TKCASNVIPA KEDPYAGFKF WNIDLKEKLS LDLDQFPLGR DATA SEQUENCE RFLAQQGAGC STVRKRRIS 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 14 P HA 0.000 nan 4.420 nan 0.000 0.216 14 P C 0.000 177.305 177.300 0.009 0.000 1.155 14 P CA 0.000 63.104 63.100 0.006 0.000 0.800 14 P CB 0.000 31.705 31.700 0.008 0.000 0.726 15 T N 3.392 117.952 114.554 0.009 0.000 3.410 15 T HA 0.323 4.673 4.350 -0.000 0.000 0.328 15 T C -1.473 173.238 174.700 0.018 0.000 1.567 15 T CA -0.453 61.655 62.100 0.013 0.000 1.626 15 T CB 0.900 69.771 68.868 0.004 0.000 0.939 15 T HN 0.318 nan 8.240 nan 0.000 0.656 16 P HA 0.237 nan 4.420 nan 0.000 0.261 16 P C 0.276 177.599 177.300 0.038 0.000 1.268 16 P CA -0.092 63.024 63.100 0.026 0.000 0.833 16 P CB 0.230 31.944 31.700 0.024 0.000 1.231 17 V N 2.030 121.975 119.914 0.051 0.000 2.673 17 V HA 0.043 4.163 4.120 -0.000 0.000 0.303 17 V C 1.579 177.709 176.094 0.061 0.000 1.046 17 V CA 1.375 63.722 62.300 0.078 0.000 1.126 17 V CB 0.811 32.709 31.823 0.125 0.000 0.934 17 V HN 0.360 nan 8.190 nan 0.000 0.487 18 S N 2.195 117.935 115.700 0.067 0.000 2.648 18 S HA 0.349 4.819 4.470 -0.000 0.000 0.270 18 S C 0.153 174.788 174.600 0.059 0.000 1.080 18 S CA -0.543 57.688 58.200 0.051 0.000 1.159 18 S CB 0.413 63.635 63.200 0.038 0.000 1.091 18 S HN 0.640 nan 8.310 nan 0.000 0.605 19 K N 0.997 121.447 120.400 0.083 0.000 2.477 19 K HA 0.608 4.928 4.320 -0.000 0.000 0.255 19 K C -1.258 175.428 176.600 0.142 0.000 0.952 19 K CA -0.794 55.545 56.287 0.088 0.000 0.826 19 K CB 2.837 35.377 32.500 0.066 0.000 1.331 19 K HN 0.072 nan 8.250 nan 0.000 0.437 20 V N 3.027 123.023 119.914 0.136 0.000 2.673 20 V HA 0.109 4.229 4.120 -0.000 0.000 0.303 20 V C -0.585 175.619 176.094 0.182 0.000 1.046 20 V CA 0.030 62.451 62.300 0.201 0.000 1.126 20 V CB 0.578 32.484 31.823 0.139 0.000 0.934 20 V HN 0.530 nan 8.190 nan 0.000 0.487 21 L N 6.676 128.039 121.223 0.234 0.000 2.286 21 L HA 0.645 4.985 4.340 -0.000 0.000 0.265 21 L C -0.471 176.451 176.870 0.086 0.000 1.012 21 L CA -0.121 54.766 54.840 0.079 0.000 0.818 21 L CB 1.873 43.878 42.059 -0.090 0.000 1.337 21 L HN 0.792 nan 8.230 nan 0.000 0.438 22 C N 0.893 120.184 119.300 -0.015 0.000 2.347 22 C HA 0.309 4.769 4.460 -0.000 0.000 0.353 22 C C 1.915 176.743 174.990 -0.270 0.000 1.273 22 C CA 0.053 59.035 59.018 -0.061 0.000 1.861 22 C CB 0.370 28.082 27.740 -0.046 0.000 2.420 22 C HN 0.948 nan 8.230 nan 0.000 0.542 23 S N 1.625 117.180 115.700 -0.241 0.000 2.419 23 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 23 S C 1.576 175.816 174.600 -0.601 0.000 1.019 23 S CA 1.737 59.616 58.200 -0.534 0.000 0.982 23 S CB -0.438 62.764 63.200 0.005 0.000 0.789 23 S HN 0.890 nan 8.310 nan 0.000 0.490 24 E N 1.210 121.230 120.200 -0.301 0.000 2.118 24 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 24 E C 1.679 178.149 176.600 -0.217 0.000 0.992 24 E CA 1.615 57.901 56.400 -0.189 0.000 0.804 24 E CB -0.423 29.221 29.700 -0.094 0.000 0.741 24 E HN 0.652 nan 8.360 nan 0.000 0.458 25 T N 0.133 114.509 114.554 -0.296 0.000 2.746 25 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 25 T C 1.210 175.860 174.700 -0.083 0.000 1.039 25 T CA 1.725 63.718 62.100 -0.177 0.000 1.142 25 T CB -0.333 68.449 68.868 -0.143 0.000 0.866 25 T HN 0.474 nan 8.240 nan 0.000 0.444 26 Y N -0.166 120.166 120.300 0.052 0.000 2.485 26 Y HA 0.651 5.201 4.550 -0.000 0.000 0.260 26 Y C 0.047 176.012 175.900 0.108 0.000 1.173 26 Y CA -1.313 56.832 58.100 0.074 0.000 1.252 26 Y CB -0.647 37.867 38.460 0.089 0.000 1.123 26 Y HN -0.134 nan 8.280 nan 0.000 0.524 27 V N 2.946 122.953 119.914 0.155 0.000 2.384 27 V HA 0.296 4.416 4.120 -0.000 0.000 0.287 27 V C -0.483 175.653 176.094 0.070 0.000 1.020 27 V CA -0.857 61.547 62.300 0.174 0.000 0.850 27 V CB 1.416 33.304 31.823 0.109 0.000 0.987 27 V HN 0.124 nan 8.190 nan 0.000 0.436 28 Q N 4.318 124.163 119.800 0.075 0.000 2.261 28 Q HA 0.465 4.805 4.340 -0.000 0.000 0.252 28 Q C -0.264 175.748 176.000 0.020 0.000 0.915 28 Q CA -0.166 55.662 55.803 0.042 0.000 0.915 28 Q CB 1.590 30.354 28.738 0.043 0.000 1.204 28 Q HN 0.558 nan 8.270 nan 0.000 0.421 29 R N 2.266 122.773 120.500 0.013 0.000 2.255 29 R HA 0.343 4.683 4.340 -0.000 0.000 0.326 29 R C 0.176 176.480 176.300 0.007 0.000 0.986 29 R CA -0.755 55.342 56.100 -0.005 0.000 0.847 29 R CB 1.228 31.523 30.300 -0.009 0.000 1.111 29 R HN 0.268 nan 8.270 nan 0.000 0.452 30 K N 0.883 121.281 120.400 -0.004 0.000 2.155 30 K HA 0.139 4.459 4.320 -0.000 0.000 0.237 30 K C 0.798 177.409 176.600 0.019 0.000 1.040 30 K CA -0.195 56.106 56.287 0.024 0.000 0.912 30 K CB 0.800 33.319 32.500 0.033 0.000 1.137 30 K HN 0.581 nan 8.250 nan 0.000 0.498 31 S N -0.144 115.606 115.700 0.083 0.000 2.506 31 S HA 0.270 4.740 4.470 -0.000 0.000 0.245 31 S C 0.168 174.938 174.600 0.284 0.000 1.088 31 S CA -0.600 57.717 58.200 0.195 0.000 1.099 31 S CB -0.592 62.740 63.200 0.220 0.000 0.805 31 S HN 0.281 nan 8.310 nan 0.000 0.461 32 I N 1.575 122.175 120.570 0.051 0.000 2.525 32 I HA 0.636 4.806 4.170 -0.000 0.000 0.301 32 I C -0.547 175.489 176.117 -0.135 0.000 0.992 32 I CA -0.871 60.522 61.300 0.154 0.000 1.162 32 I CB 0.785 38.917 38.000 0.220 0.000 1.332 32 I HN 0.123 nan 8.210 nan 0.000 0.458 33 F N 4.113 124.044 119.950 -0.032 0.000 2.577 33 F HA 0.668 5.195 4.527 -0.000 0.000 0.318 33 F C -0.675 174.934 175.800 -0.317 0.000 1.065 33 F CA -0.973 56.971 58.000 -0.092 0.000 0.929 33 F CB 1.397 40.237 39.000 -0.267 0.000 1.237 33 F HN 0.185 nan 8.300 nan 0.000 0.468 34 Y N -0.873 119.393 120.300 -0.058 0.000 2.581 34 Y HA 0.460 5.010 4.550 -0.000 0.000 0.345 34 Y C -0.958 174.822 175.900 -0.201 0.000 1.036 34 Y CA -1.177 56.833 58.100 -0.151 0.000 1.042 34 Y CB 2.066 40.322 38.460 -0.339 0.000 1.289 34 Y HN 0.623 nan 8.280 nan 0.000 0.471 35 H N 0.932 119.884 119.070 -0.196 0.000 2.708 35 H HA 0.765 5.321 4.556 -0.000 0.000 0.320 35 H C -1.416 173.661 175.328 -0.418 0.000 0.991 35 H CA -0.606 55.225 56.048 -0.362 0.000 1.243 35 H CB 0.819 30.199 29.762 -0.636 0.000 1.446 35 H HN 0.745 nan 8.280 nan 0.000 0.502 36 A N 5.052 127.456 122.820 -0.693 0.000 2.322 36 A HA 0.268 4.588 4.320 -0.000 0.000 0.327 36 A C -0.305 177.066 177.584 -0.355 0.000 1.394 36 A CA -0.674 51.117 52.037 -0.410 0.000 0.921 36 A CB 0.035 18.847 19.000 -0.313 0.000 1.153 36 A HN 0.836 nan 8.150 nan 0.000 0.523 37 E N 2.888 122.967 120.200 -0.201 0.000 2.113 37 E HA 0.398 4.748 4.350 -0.000 0.000 0.273 37 E C 0.092 176.705 176.600 0.022 0.000 0.924 37 E CA -0.442 55.959 56.400 0.001 0.000 0.764 37 E CB 0.858 30.739 29.700 0.302 0.000 1.104 37 E HN 0.619 nan 8.360 nan 0.000 0.406 38 T N 2.228 116.775 114.554 -0.013 0.000 2.910 38 T HA 0.229 4.579 4.350 -0.000 0.000 0.293 38 T C 0.203 174.893 174.700 -0.017 0.000 1.015 38 T CA -0.949 61.126 62.100 -0.041 0.000 1.094 38 T CB 1.224 70.016 68.868 -0.126 0.000 0.968 38 T HN 0.353 nan 8.240 nan 0.000 0.521 39 E N 1.997 122.196 120.200 -0.001 0.000 2.366 39 E HA 0.144 4.494 4.350 -0.000 0.000 0.266 39 E C 0.642 177.241 176.600 -0.001 0.000 1.051 39 E CA -0.444 55.967 56.400 0.018 0.000 0.884 39 E CB 0.643 30.365 29.700 0.036 0.000 1.006 39 E HN 0.819 nan 8.360 nan 0.000 0.417 40 R N 1.885 122.390 120.500 0.008 0.000 2.500 40 R HA -0.006 4.334 4.340 -0.000 0.000 0.281 40 R C -0.438 175.887 176.300 0.040 0.000 0.953 40 R CA 0.368 56.472 56.100 0.007 0.000 1.108 40 R CB -0.289 30.018 30.300 0.012 0.000 0.901 40 R HN 0.301 nan 8.270 nan 0.000 0.410 41 L N 4.674 125.929 121.223 0.053 0.000 2.296 41 L HA 0.505 4.845 4.340 -0.000 0.000 0.286 41 L C -0.265 176.770 176.870 0.275 0.000 1.023 41 L CA -0.936 54.013 54.840 0.183 0.000 0.812 41 L CB 1.154 43.261 42.059 0.080 0.000 1.223 41 L HN 0.532 nan 8.230 nan 0.000 0.421 42 L N 2.456 123.855 121.223 0.293 0.000 2.341 42 L HA 0.877 5.217 4.340 -0.000 0.000 0.267 42 L C -0.364 176.660 176.870 0.256 0.000 1.009 42 L CA -0.571 54.409 54.840 0.233 0.000 0.819 42 L CB 2.439 44.569 42.059 0.118 0.000 1.323 42 L HN 0.673 nan 8.230 nan 0.000 0.425 43 T N -0.143 114.531 114.554 0.201 0.000 3.012 43 T HA 0.721 5.071 4.350 -0.000 0.000 0.330 43 T C -0.763 173.990 174.700 0.089 0.000 1.321 43 T CA -0.695 61.477 62.100 0.120 0.000 1.067 43 T CB 1.947 70.891 68.868 0.126 0.000 1.235 43 T HN 0.684 nan 8.240 nan 0.000 0.479 44 I N -1.225 119.375 120.570 0.049 0.000 3.095 44 I HA 0.986 5.156 4.170 -0.000 0.000 0.310 44 I C -0.163 175.976 176.117 0.038 0.000 1.196 44 I CA -1.032 60.294 61.300 0.043 0.000 0.985 44 I CB 1.915 39.930 38.000 0.026 0.000 1.250 44 I HN 1.247 nan 8.210 nan 0.000 0.446 45 G N 1.358 110.186 108.800 0.047 0.000 2.343 45 G HA2 0.176 4.136 3.960 -0.000 0.000 0.289 45 G HA3 0.176 4.136 3.960 -0.000 0.000 0.289 45 G C -2.151 172.777 174.900 0.047 0.000 1.295 45 G CA -0.922 44.203 45.100 0.041 0.000 0.869 45 G HN 1.122 nan 8.290 nan 0.000 0.522 46 H N 2.045 121.077 119.070 -0.063 0.000 2.723 46 H HA 0.498 5.054 4.556 -0.000 0.000 0.294 46 H C -0.988 174.261 175.328 -0.131 0.000 1.079 46 H CA -1.170 54.809 56.048 -0.114 0.000 1.411 46 H CB 1.885 31.540 29.762 -0.178 0.000 1.439 46 H HN 0.185 nan 8.280 nan 0.000 0.474 47 P HA -0.208 nan 4.420 nan 0.000 0.216 47 P C 0.782 177.873 177.300 -0.348 0.000 1.153 47 P CA 1.389 64.231 63.100 -0.431 0.000 0.848 47 P CB 0.165 31.476 31.700 -0.648 0.000 0.787 48 Y N 0.029 120.057 120.300 -0.454 0.000 2.145 48 Y HA -0.110 4.440 4.550 0.000 0.000 0.286 48 Y C 1.314 177.351 175.900 0.229 0.000 1.145 48 Y CA 1.325 59.389 58.100 -0.059 0.000 1.148 48 Y CB -0.704 37.800 38.460 0.072 0.000 0.981 48 Y HN 0.082 nan 8.280 nan 0.000 0.507 49 Y N -4.270 116.312 120.300 0.469 0.000 2.624 49 Y HA 0.516 5.066 4.550 -0.000 0.000 0.334 49 Y C -3.309 172.727 175.900 0.227 0.000 1.155 49 Y CA -3.755 54.505 58.100 0.267 0.000 1.046 49 Y CB 0.427 39.005 38.460 0.197 0.000 1.316 49 Y HN -0.374 nan 8.280 nan 0.000 0.457 50 P HA 0.084 nan 4.420 nan 0.000 0.267 50 P C -0.416 176.979 177.300 0.158 0.000 1.209 50 P CA 0.244 63.436 63.100 0.154 0.000 0.763 50 P CB 1.719 33.495 31.700 0.127 0.000 0.816 51 V N 2.872 122.811 119.914 0.041 0.000 2.973 51 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 51 V C 0.683 176.786 176.094 0.016 0.000 1.066 51 V CA -0.235 62.069 62.300 0.006 0.000 1.021 51 V CB 1.653 33.409 31.823 -0.111 0.000 1.076 51 V HN 0.638 nan 8.190 nan 0.000 0.462 52 S N 2.219 117.926 115.700 0.012 0.000 2.737 52 S HA 0.561 5.031 4.470 -0.000 0.000 0.269 52 S C -0.904 173.695 174.600 -0.002 0.000 1.150 52 S CA -0.576 57.628 58.200 0.008 0.000 1.077 52 S CB 0.452 63.665 63.200 0.021 0.000 1.075 52 S HN 0.655 nan 8.310 nan 0.000 0.476 53 I N 2.446 123.008 120.570 -0.013 0.000 2.378 53 I HA 0.898 5.068 4.170 -0.000 0.000 0.291 53 I C 0.819 176.933 176.117 -0.005 0.000 0.992 53 I CA 0.029 61.322 61.300 -0.012 0.000 1.154 53 I CB 0.949 38.932 38.000 -0.028 0.000 1.315 53 I HN 0.804 nan 8.210 nan 0.000 0.448 54 G N 5.030 113.831 108.800 0.001 0.000 2.561 54 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.289 54 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.289 54 G C 0.497 175.399 174.900 0.002 0.000 1.169 54 G CA 0.548 45.649 45.100 0.003 0.000 0.980 54 G HN 1.630 nan 8.290 nan 0.000 0.550 55 A N -0.041 122.780 122.820 0.001 0.000 2.564 55 A HA 0.647 4.967 4.320 -0.000 0.000 0.279 55 A C 0.701 178.285 177.584 0.000 0.000 1.232 55 A CA 1.032 53.070 52.037 0.002 0.000 0.950 55 A CB 0.214 19.215 19.000 0.001 0.000 1.138 55 A HN 0.577 nan 8.150 nan 0.000 0.526 56 K N -0.303 120.096 120.400 -0.001 0.000 2.313 56 K HA 0.648 4.968 4.320 -0.000 0.000 0.235 56 K C 0.067 176.665 176.600 -0.003 0.000 1.035 56 K CA -0.354 55.931 56.287 -0.003 0.000 0.868 56 K CB 1.549 34.046 32.500 -0.006 0.000 1.232 56 K HN 0.255 nan 8.250 nan 0.000 0.459 57 T N -3.142 111.410 114.554 -0.004 0.000 2.841 57 T HA 0.649 4.999 4.350 -0.000 0.000 0.276 57 T C -0.674 174.021 174.700 -0.008 0.000 1.003 57 T CA -0.768 61.331 62.100 -0.001 0.000 0.995 57 T CB 1.121 69.992 68.868 0.005 0.000 1.260 57 T HN 0.172 nan 8.240 nan 0.000 0.581 58 V N 2.320 122.232 119.914 -0.003 0.000 2.568 58 V HA 0.379 4.499 4.120 -0.000 0.000 0.276 58 V C -2.582 173.517 176.094 0.010 0.000 1.002 58 V CA -1.617 60.680 62.300 -0.006 0.000 0.879 58 V CB 1.184 32.995 31.823 -0.019 0.000 1.040 58 V HN 0.900 nan 8.190 nan 0.000 0.457 59 P HA -0.019 nan 4.420 nan 0.000 0.261 59 P C -0.355 176.960 177.300 0.025 0.000 1.173 59 P CA -0.046 63.059 63.100 0.008 0.000 0.760 59 P CB 0.558 32.246 31.700 -0.020 0.000 0.783 60 K N 2.855 123.281 120.400 0.042 0.000 2.167 60 K HA 0.268 4.588 4.320 -0.000 0.000 0.275 60 K C -0.740 175.864 176.600 0.006 0.000 1.103 60 K CA -0.365 55.949 56.287 0.044 0.000 0.963 60 K CB -0.356 32.202 32.500 0.097 0.000 1.243 60 K HN 0.082 nan 8.250 nan 0.000 0.407 61 V N 3.616 123.526 119.914 -0.006 0.000 2.320 61 V HA 0.167 4.287 4.120 -0.000 0.000 0.265 61 V C 0.121 176.180 176.094 -0.059 0.000 1.048 61 V CA -0.399 61.907 62.300 0.010 0.000 0.865 61 V CB 0.431 32.293 31.823 0.066 0.000 1.043 61 V HN 0.888 nan 8.190 nan 0.000 0.474 62 S N 4.091 119.725 115.700 -0.110 0.000 2.758 62 S HA 0.728 5.198 4.470 -0.000 0.000 0.292 62 S C 1.096 175.553 174.600 -0.238 0.000 1.131 62 S CA 0.133 58.169 58.200 -0.273 0.000 0.997 62 S CB 1.928 64.974 63.200 -0.255 0.000 1.111 62 S HN 0.802 nan 8.310 nan 0.000 0.552 63 A N 1.273 123.866 122.820 -0.379 0.000 2.308 63 A HA 0.350 4.670 4.320 -0.000 0.000 0.217 63 A C 0.491 177.980 177.584 -0.159 0.000 1.216 63 A CA -0.196 51.706 52.037 -0.226 0.000 0.864 63 A CB -0.412 18.412 19.000 -0.293 0.000 0.902 63 A HN 0.795 nan 8.150 nan 0.000 0.499 64 N N 1.361 119.952 118.700 -0.183 0.000 2.818 64 N HA 0.210 4.950 4.740 -0.000 0.000 0.301 64 N C -1.321 174.085 175.510 -0.174 0.000 1.821 64 N CA -0.001 52.942 53.050 -0.179 0.000 0.930 64 N CB 0.661 39.053 38.487 -0.158 0.000 1.263 64 N HN 0.483 nan 8.380 nan 0.000 0.487 65 Q N 0.754 120.449 119.800 -0.175 0.000 2.284 65 Q HA 0.237 4.577 4.340 -0.000 0.000 0.269 65 Q C -1.273 174.644 176.000 -0.137 0.000 1.026 65 Q CA -0.694 55.047 55.803 -0.104 0.000 0.831 65 Q CB 1.774 30.510 28.738 -0.004 0.000 1.322 65 Q HN 0.311 nan 8.270 nan 0.000 0.419 66 Y N 1.738 122.009 120.300 -0.049 0.000 2.730 66 Y HA 0.046 4.596 4.550 -0.000 0.000 0.354 66 Y C 0.499 176.305 175.900 -0.157 0.000 1.139 66 Y CA -0.387 57.655 58.100 -0.096 0.000 1.516 66 Y CB 0.199 38.590 38.460 -0.115 0.000 1.204 66 Y HN 0.163 nan 8.280 nan 0.000 0.520 67 R N 2.856 123.264 120.500 -0.153 0.000 2.404 67 R HA 0.135 4.475 4.340 -0.000 0.000 0.315 67 R C -0.836 175.070 176.300 -0.656 0.000 1.032 67 R CA -0.270 55.587 56.100 -0.405 0.000 0.992 67 R CB 0.169 30.003 30.300 -0.777 0.000 0.959 67 R HN 0.360 nan 8.270 nan 0.000 0.428 68 V N 6.531 126.182 119.914 -0.439 0.000 2.313 68 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 68 V C -0.059 175.827 176.094 -0.347 0.000 1.017 68 V CA -0.558 61.486 62.300 -0.428 0.000 0.823 68 V CB 0.495 32.160 31.823 -0.263 0.000 1.010 68 V HN 0.494 nan 8.190 nan 0.000 0.443 69 F N 3.560 123.428 119.950 -0.137 0.000 2.384 69 F HA 0.469 4.996 4.527 -0.000 0.000 0.338 69 F C 0.575 176.192 175.800 -0.304 0.000 1.103 69 F CA -0.535 57.365 58.000 -0.166 0.000 1.157 69 F CB 1.105 39.954 39.000 -0.252 0.000 1.167 69 F HN 0.268 nan 8.300 nan 0.000 0.529 70 K N 3.913 124.295 120.400 -0.030 0.000 2.334 70 K HA 0.448 4.768 4.320 -0.000 0.000 0.265 70 K C -1.364 175.115 176.600 -0.202 0.000 1.039 70 K CA -0.719 55.355 56.287 -0.356 0.000 0.920 70 K CB 0.545 32.965 32.500 -0.133 0.000 1.160 70 K HN 0.486 nan 8.250 nan 0.000 0.451 71 I N 4.225 124.631 120.570 -0.273 0.000 2.281 71 I HA 0.110 4.280 4.170 -0.000 0.000 0.293 71 I C 0.278 176.247 176.117 -0.246 0.000 1.085 71 I CA 0.011 61.151 61.300 -0.267 0.000 1.257 71 I CB 1.046 38.790 38.000 -0.428 0.000 1.430 71 I HN 0.547 nan 8.210 nan 0.000 0.489 72 Q N 6.015 125.719 119.800 -0.160 0.000 2.279 72 Q HA 0.494 4.834 4.340 -0.000 0.000 0.256 72 Q C -0.832 175.112 176.000 -0.093 0.000 0.937 72 Q CA -0.428 55.315 55.803 -0.099 0.000 0.933 72 Q CB 0.925 29.639 28.738 -0.040 0.000 1.189 72 Q HN 0.592 nan 8.270 nan 0.000 0.417 73 L N 5.015 126.205 121.223 -0.056 0.000 2.431 73 L HA 0.536 4.877 4.340 -0.000 0.000 0.260 73 L C -2.082 174.847 176.870 0.098 0.000 1.098 73 L CA -2.395 52.436 54.840 -0.017 0.000 0.800 73 L CB 0.878 42.970 42.059 0.055 0.000 1.210 73 L HN 0.612 nan 8.230 nan 0.000 0.465 74 P HA 0.098 nan 4.420 nan 0.000 0.293 74 P C -1.186 176.292 177.300 0.298 0.000 1.300 74 P CA -0.508 62.755 63.100 0.272 0.000 0.792 74 P CB 0.654 32.551 31.700 0.328 0.000 0.925 75 D N 5.888 126.436 120.400 0.246 0.000 2.434 75 D HA -0.025 4.615 4.640 -0.000 0.000 0.252 75 D C -1.230 175.098 176.300 0.046 0.000 1.185 75 D CA -1.341 52.734 54.000 0.125 0.000 0.886 75 D CB 0.927 41.812 40.800 0.141 0.000 1.148 75 D HN 0.193 nan 8.370 nan 0.000 0.483 76 P HA -0.141 nan 4.420 nan 0.000 0.217 76 P C 1.249 178.427 177.300 -0.202 0.000 1.151 76 P CA 0.866 63.544 63.100 -0.704 0.000 0.828 76 P CB 0.136 31.096 31.700 -1.234 0.000 0.788 77 N N 0.008 118.697 118.700 -0.018 0.000 2.120 77 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 77 N C 1.292 176.929 175.510 0.212 0.000 1.024 77 N CA 0.436 53.568 53.050 0.137 0.000 0.852 77 N CB -0.161 38.450 38.487 0.207 0.000 1.003 77 N HN 0.132 nan 8.380 nan 0.000 0.424 78 Q N 0.237 120.193 119.800 0.260 0.000 3.027 78 Q HA 0.131 4.471 4.340 -0.000 0.000 0.260 78 Q C -1.599 174.611 176.000 0.350 0.000 1.379 78 Q CA -0.120 55.827 55.803 0.240 0.000 1.038 78 Q CB -0.150 28.681 28.738 0.154 0.000 1.578 78 Q HN 0.175 nan 8.270 nan 0.000 0.571 79 F N -0.425 119.537 119.950 0.021 0.000 2.629 79 F HA 0.539 5.066 4.527 -0.000 0.000 0.316 79 F C -0.227 175.582 175.800 0.015 0.000 1.081 79 F CA -1.226 56.788 58.000 0.023 0.000 0.954 79 F CB 1.343 40.356 39.000 0.022 0.000 1.337 79 F HN 0.225 nan 8.300 nan 0.000 0.474 80 A N 2.884 125.770 122.820 0.110 0.000 2.476 80 A HA 0.457 4.777 4.320 -0.000 0.000 0.275 80 A C -0.673 176.965 177.584 0.089 0.000 1.133 80 A CA -0.069 52.008 52.037 0.067 0.000 0.797 80 A CB -0.898 18.124 19.000 0.037 0.000 1.081 80 A HN 0.617 nan 8.150 nan 0.000 0.510 81 L N 4.759 126.004 121.223 0.037 0.000 2.314 81 L HA 0.278 4.618 4.340 -0.000 0.000 0.275 81 L C -1.835 175.041 176.870 0.009 0.000 1.068 81 L CA -1.395 53.452 54.840 0.011 0.000 0.894 81 L CB 0.921 42.946 42.059 -0.055 0.000 1.275 81 L HN 0.493 nan 8.230 nan 0.000 0.432 82 P HA 0.084 nan 4.420 nan 0.000 0.252 82 P C -0.547 176.761 177.300 0.014 0.000 1.265 82 P CA 0.707 63.821 63.100 0.023 0.000 0.775 82 P CB 0.217 31.939 31.700 0.037 0.000 1.128 83 D N -2.261 118.142 120.400 0.005 0.000 2.812 83 D HA 0.265 4.905 4.640 -0.000 0.000 0.318 83 D C 0.933 177.225 176.300 -0.014 0.000 1.234 83 D CA -0.555 53.446 54.000 0.001 0.000 0.989 83 D CB 1.005 41.812 40.800 0.012 0.000 1.442 83 D HN -0.343 nan 8.370 nan 0.000 0.537 84 R N -0.509 119.986 120.500 -0.008 0.000 2.225 84 R HA 0.154 4.494 4.340 -0.000 0.000 0.194 84 R C 1.577 177.870 176.300 -0.011 0.000 0.957 84 R CA 0.558 56.649 56.100 -0.014 0.000 1.042 84 R CB -0.667 29.630 30.300 -0.006 0.000 1.004 84 R HN 0.375 nan 8.270 nan 0.000 0.509 85 T N 1.250 115.805 114.554 0.002 0.000 3.051 85 T HA 0.039 4.389 4.350 -0.000 0.000 0.269 85 T C 1.024 175.733 174.700 0.015 0.000 1.127 85 T CA 0.319 62.428 62.100 0.014 0.000 1.107 85 T CB -0.017 68.866 68.868 0.025 0.000 0.898 85 T HN -0.142 nan 8.240 nan 0.000 0.517 86 V N 3.759 123.665 119.914 -0.013 0.000 2.843 86 V HA 0.016 4.136 4.120 -0.000 0.000 0.305 86 V C 0.976 177.013 176.094 -0.095 0.000 1.065 86 V CA -0.947 61.323 62.300 -0.050 0.000 1.116 86 V CB 0.157 31.909 31.823 -0.119 0.000 0.968 86 V HN 0.630 nan 8.190 nan 0.000 0.487 87 H N 3.471 122.544 119.070 0.004 0.000 3.064 87 H HA -0.012 4.544 4.556 -0.000 0.000 0.329 87 H C 0.290 175.611 175.328 -0.013 0.000 1.020 87 H CA -0.034 56.010 56.048 -0.007 0.000 1.402 87 H CB -0.038 29.714 29.762 -0.017 0.000 1.379 87 H HN 0.774 nan 8.280 nan 0.000 0.594 88 N N 3.400 122.141 118.700 0.067 0.000 2.441 88 N HA -0.046 4.694 4.740 -0.000 0.000 0.251 88 N C -1.422 174.116 175.510 0.047 0.000 1.242 88 N CA -1.357 51.704 53.050 0.018 0.000 0.898 88 N CB 0.784 39.283 38.487 0.020 0.000 1.100 88 N HN 0.421 nan 8.380 nan 0.000 0.443 89 P HA -0.058 nan 4.420 nan 0.000 0.216 89 P C 0.279 177.585 177.300 0.010 0.000 1.150 89 P CA 1.307 64.414 63.100 0.012 0.000 0.837 89 P CB 0.313 32.005 31.700 -0.013 0.000 0.786 90 S N -1.887 113.807 115.700 -0.010 0.000 2.523 90 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 90 S C 1.425 175.991 174.600 -0.056 0.000 0.996 90 S CA -0.059 58.117 58.200 -0.040 0.000 0.921 90 S CB 0.030 63.207 63.200 -0.038 0.000 0.829 90 S HN 0.180 nan 8.310 nan 0.000 0.495 91 K N 1.395 121.778 120.400 -0.029 0.000 2.005 91 K HA 0.112 4.432 4.320 -0.000 0.000 0.206 91 K C 0.406 176.961 176.600 -0.076 0.000 1.044 91 K CA 0.917 57.181 56.287 -0.037 0.000 0.942 91 K CB 0.138 32.636 32.500 -0.004 0.000 0.727 91 K HN 0.352 nan 8.250 nan 0.000 0.439 92 E N -0.123 120.036 120.200 -0.068 0.000 2.392 92 E HA 0.349 4.699 4.350 -0.000 0.000 0.269 92 E C -0.852 175.565 176.600 -0.305 0.000 0.924 92 E CA -0.941 55.366 56.400 -0.155 0.000 0.784 92 E CB 1.948 31.593 29.700 -0.091 0.000 1.292 92 E HN -0.076 nan 8.360 nan 0.000 0.447 93 R N 0.961 121.219 120.500 -0.404 0.000 2.750 93 R HA 0.571 4.911 4.340 -0.000 0.000 0.281 93 R C -0.780 175.364 176.300 -0.259 0.000 0.972 93 R CA -0.773 55.076 56.100 -0.418 0.000 0.912 93 R CB 1.164 31.045 30.300 -0.698 0.000 1.187 93 R HN 0.460 nan 8.270 nan 0.000 0.464 94 L N 1.510 122.583 121.223 -0.251 0.000 2.334 94 L HA 0.733 5.073 4.340 -0.000 0.000 0.272 94 L C 0.485 177.273 176.870 -0.136 0.000 1.020 94 L CA -0.995 53.708 54.840 -0.229 0.000 0.812 94 L CB 1.724 43.592 42.059 -0.319 0.000 1.264 94 L HN 0.449 nan 8.230 nan 0.000 0.439 95 V N -2.597 117.154 119.914 -0.271 0.000 3.065 95 V HA 0.563 4.683 4.120 -0.000 0.000 0.312 95 V C -1.725 174.059 176.094 -0.516 0.000 1.412 95 V CA -1.058 61.031 62.300 -0.352 0.000 1.039 95 V CB 1.706 33.460 31.823 -0.115 0.000 1.077 95 V HN 0.771 nan 8.190 nan 0.000 0.473 96 W N -0.456 120.740 121.300 -0.174 0.000 2.706 96 W HA 0.870 5.530 4.660 -0.000 0.000 0.346 96 W C -0.279 176.104 176.519 -0.228 0.000 1.071 96 W CA -0.423 56.792 57.345 -0.217 0.000 1.206 96 W CB 2.340 31.660 29.460 -0.233 0.000 1.413 96 W HN 0.964 nan 8.180 nan 0.000 0.542 97 A N 1.974 124.867 122.820 0.121 0.000 2.402 97 A HA 0.608 4.928 4.320 -0.000 0.000 0.291 97 A C -0.839 176.685 177.584 -0.101 0.000 1.051 97 A CA -0.733 51.272 52.037 -0.054 0.000 0.716 97 A CB 0.402 19.358 19.000 -0.074 0.000 1.223 97 A HN 0.579 nan 8.150 nan 0.000 0.425 98 V N 1.442 121.245 119.914 -0.184 0.000 2.686 98 V HA 0.485 4.605 4.120 -0.000 0.000 0.295 98 V C 0.696 176.720 176.094 -0.118 0.000 1.055 98 V CA 0.042 62.243 62.300 -0.166 0.000 1.050 98 V CB 0.459 32.137 31.823 -0.241 0.000 0.984 98 V HN 0.796 nan 8.190 nan 0.000 0.482 99 I N 2.040 122.594 120.570 -0.026 0.000 4.197 99 I HA 0.473 4.643 4.170 -0.000 0.000 0.307 99 I C 1.182 177.375 176.117 0.127 0.000 1.236 99 I CA 0.762 62.081 61.300 0.031 0.000 1.321 99 I CB 0.653 38.756 38.000 0.171 0.000 1.309 99 I HN 0.820 nan 8.210 nan 0.000 0.450 100 G N 1.052 109.944 108.800 0.153 0.000 2.638 100 G HA2 0.655 4.615 3.960 -0.000 0.000 0.302 100 G HA3 0.655 4.615 3.960 -0.000 0.000 0.302 100 G C -1.536 173.253 174.900 -0.185 0.000 1.365 100 G CA -0.287 44.823 45.100 0.017 0.000 0.987 100 G HN -0.183 nan 8.290 nan 0.000 0.495 101 V N 1.207 120.922 119.914 -0.332 0.000 2.760 101 V HA 0.634 4.754 4.120 -0.000 0.000 0.309 101 V C -0.554 175.317 176.094 -0.372 0.000 1.077 101 V CA -0.778 61.277 62.300 -0.409 0.000 0.910 101 V CB 1.987 33.707 31.823 -0.173 0.000 1.008 101 V HN 0.768 nan 8.190 nan 0.000 0.424 102 Q N 2.977 122.531 119.800 -0.411 0.000 2.444 102 Q HA 0.432 4.772 4.340 -0.000 0.000 0.251 102 Q C -1.855 174.039 176.000 -0.176 0.000 0.939 102 Q CA -0.265 55.368 55.803 -0.282 0.000 0.740 102 Q CB 2.219 30.783 28.738 -0.290 0.000 1.308 102 Q HN 0.647 nan 8.270 nan 0.000 0.461 103 V N 2.420 122.328 119.914 -0.010 0.000 2.455 103 V HA 0.241 4.361 4.120 -0.000 0.000 0.273 103 V C 0.250 176.452 176.094 0.181 0.000 1.045 103 V CA 0.027 62.403 62.300 0.127 0.000 0.976 103 V CB 1.332 33.369 31.823 0.358 0.000 0.993 103 V HN 0.614 nan 8.190 nan 0.000 0.475 104 S N 5.832 121.578 115.700 0.076 0.000 2.437 104 S HA 0.532 5.002 4.470 -0.000 0.000 0.305 104 S C -0.218 174.365 174.600 -0.030 0.000 1.109 104 S CA -0.846 57.375 58.200 0.035 0.000 1.099 104 S CB 0.448 63.645 63.200 -0.005 0.000 1.004 104 S HN 0.692 nan 8.310 nan 0.000 0.475 105 R N 3.158 123.591 120.500 -0.111 0.000 2.275 105 R HA 0.355 4.695 4.340 -0.000 0.000 0.326 105 R C 0.108 176.286 176.300 -0.203 0.000 0.973 105 R CA -0.445 55.491 56.100 -0.274 0.000 0.854 105 R CB 1.381 31.404 30.300 -0.462 0.000 1.156 105 R HN 0.676 nan 8.270 nan 0.000 0.487 106 G N 2.931 111.611 108.800 -0.200 0.000 2.607 106 G HA2 0.328 4.288 3.960 -0.000 0.000 0.332 106 G HA3 0.328 4.288 3.960 -0.000 0.000 0.332 106 G C -0.358 174.454 174.900 -0.145 0.000 1.046 106 G CA -0.080 44.938 45.100 -0.137 0.000 1.099 106 G HN 0.303 nan 8.290 nan 0.000 0.451 107 Q N 0.695 120.418 119.800 -0.128 0.000 2.702 107 Q HA 0.280 4.620 4.340 -0.000 0.000 0.289 107 Q C -2.862 173.089 176.000 -0.082 0.000 0.923 107 Q CA -1.133 54.601 55.803 -0.115 0.000 0.787 107 Q CB 2.010 30.656 28.738 -0.153 0.000 1.476 107 Q HN 0.330 nan 8.270 nan 0.000 0.402 108 P HA 0.243 nan 4.420 nan 0.000 0.276 108 P C -0.358 176.924 177.300 -0.031 0.000 1.235 108 P CA -0.636 62.441 63.100 -0.039 0.000 0.772 108 P CB 0.350 32.032 31.700 -0.030 0.000 0.871 109 L N 2.747 123.959 121.223 -0.018 0.000 2.482 109 L HA 0.532 4.872 4.340 -0.000 0.000 0.273 109 L C 0.715 177.590 176.870 0.007 0.000 1.228 109 L CA 1.439 56.276 54.840 -0.004 0.000 0.827 109 L CB -0.321 41.742 42.059 0.006 0.000 1.099 109 L HN 0.732 nan 8.230 nan 0.000 0.494 110 G N 1.278 110.089 108.800 0.019 0.000 2.313 110 G HA2 0.469 4.429 3.960 -0.000 0.000 0.296 110 G HA3 0.469 4.429 3.960 -0.000 0.000 0.296 110 G C -1.091 173.831 174.900 0.038 0.000 1.356 110 G CA -0.413 44.705 45.100 0.029 0.000 0.833 110 G HN 0.915 nan 8.290 nan 0.000 0.552 111 G N -0.853 107.973 108.800 0.044 0.000 2.410 111 G HA2 0.591 4.551 3.960 -0.000 0.000 0.330 111 G HA3 0.591 4.551 3.960 -0.000 0.000 0.330 111 G C -0.319 174.606 174.900 0.042 0.000 1.142 111 G CA -0.124 45.002 45.100 0.045 0.000 0.902 111 G HN 0.652 nan 8.290 nan 0.000 0.491 112 T N 0.684 115.253 114.554 0.026 0.000 2.799 112 T HA 0.504 4.854 4.350 -0.000 0.000 0.286 112 T C 0.030 174.731 174.700 0.003 0.000 0.973 112 T CA -0.161 61.938 62.100 -0.001 0.000 1.035 112 T CB 1.472 70.312 68.868 -0.048 0.000 0.932 112 T HN 0.284 nan 8.240 nan 0.000 0.469 113 V N 2.296 122.214 119.914 0.007 0.000 2.960 113 V HA 0.876 4.996 4.120 -0.000 0.000 0.315 113 V C 0.153 176.258 176.094 0.018 0.000 1.087 113 V CA -0.705 61.617 62.300 0.038 0.000 0.982 113 V CB 2.291 34.164 31.823 0.084 0.000 1.039 113 V HN 0.947 nan 8.190 nan 0.000 0.437 114 T N 1.012 115.605 114.554 0.066 0.000 2.932 114 T HA 0.772 5.122 4.350 -0.000 0.000 0.318 114 T C -0.318 174.505 174.700 0.205 0.000 1.265 114 T CA 0.376 62.543 62.100 0.112 0.000 1.036 114 T CB 1.690 70.568 68.868 0.018 0.000 1.209 114 T HN 1.189 nan 8.240 nan 0.000 0.484 115 G N 1.742 110.742 108.800 0.333 0.000 3.085 115 G HA2 0.666 4.626 3.960 -0.000 0.000 0.264 115 G HA3 0.666 4.626 3.960 -0.000 0.000 0.264 115 G C -1.539 173.571 174.900 0.349 0.000 1.206 115 G CA -0.361 44.895 45.100 0.260 0.000 0.809 115 G HN 0.945 nan 8.290 nan 0.000 0.592 116 H N -0.190 118.977 119.070 0.161 0.000 3.121 116 H HA 0.242 4.798 4.556 -0.000 0.000 0.337 116 H C -2.118 173.290 175.328 0.134 0.000 1.198 116 H CA -0.715 55.442 56.048 0.181 0.000 1.274 116 H CB 2.759 32.696 29.762 0.292 0.000 1.954 116 H HN 0.288 nan 8.280 nan 0.000 0.531 117 P HA -0.116 nan 4.420 nan 0.000 0.213 117 P C 0.487 177.884 177.300 0.162 0.000 1.170 117 P CA 1.619 64.670 63.100 -0.082 0.000 0.898 117 P CB 0.111 31.683 31.700 -0.213 0.000 0.787 118 T N -3.508 111.283 114.554 0.396 0.000 3.064 118 T HA 0.469 4.819 4.350 -0.000 0.000 0.367 118 T C -0.633 174.289 174.700 0.370 0.000 1.202 118 T CA -0.896 61.422 62.100 0.362 0.000 1.133 118 T CB -0.471 68.514 68.868 0.195 0.000 1.074 118 T HN -0.192 nan 8.240 nan 0.000 0.519 119 F N 3.022 123.042 119.950 0.117 0.000 2.368 119 F HA 0.597 5.124 4.527 -0.000 0.000 0.315 119 F C 0.540 176.301 175.800 -0.065 0.000 1.145 119 F CA -1.020 56.941 58.000 -0.065 0.000 1.095 119 F CB 1.209 40.205 39.000 -0.007 0.000 1.286 119 F HN 0.608 nan 8.300 nan 0.000 0.530 120 N N 2.306 120.563 118.700 -0.739 0.000 2.817 120 N HA 0.497 5.237 4.740 -0.000 0.000 0.234 120 N C -1.880 173.514 175.510 -0.193 0.000 1.066 120 N CA -0.170 52.632 53.050 -0.414 0.000 0.926 120 N CB 0.457 38.668 38.487 -0.461 0.000 1.176 120 N HN 0.683 nan 8.380 nan 0.000 0.506 121 A N 3.756 126.580 122.820 0.007 0.000 2.522 121 A HA 0.373 4.693 4.320 -0.000 0.000 0.285 121 A C 0.693 178.260 177.584 -0.027 0.000 1.198 121 A CA -0.595 51.487 52.037 0.074 0.000 0.742 121 A CB 0.331 19.329 19.000 -0.003 0.000 1.176 121 A HN 0.580 nan 8.150 nan 0.000 0.444 122 L N 1.578 122.800 121.223 -0.002 0.000 2.056 122 L HA 0.115 4.455 4.340 -0.000 0.000 0.207 122 L C 0.242 177.098 176.870 -0.023 0.000 1.078 122 L CA 1.336 56.164 54.840 -0.020 0.000 0.749 122 L CB -0.305 41.746 42.059 -0.013 0.000 0.901 122 L HN 0.608 nan 8.230 nan 0.000 0.433 123 L N -1.747 119.478 121.223 0.002 0.000 2.838 123 L HA 0.312 4.652 4.340 -0.000 0.000 0.266 123 L C -1.857 175.060 176.870 0.079 0.000 1.040 123 L CA -0.985 53.865 54.840 0.016 0.000 0.906 123 L CB 2.113 44.190 42.059 0.030 0.000 1.501 123 L HN -0.017 nan 8.230 nan 0.000 0.407 124 D N 0.168 120.623 120.400 0.092 0.000 2.687 124 D HA 0.530 5.170 4.640 -0.000 0.000 0.264 124 D C -0.483 175.889 176.300 0.120 0.000 1.091 124 D CA -0.680 53.430 54.000 0.183 0.000 1.123 124 D CB 1.619 42.556 40.800 0.228 0.000 1.407 124 D HN 0.564 nan 8.370 nan 0.000 0.591 125 A N -0.148 122.743 122.820 0.119 0.000 2.915 125 A HA 0.432 4.752 4.320 -0.000 0.000 0.292 125 A C -0.174 177.448 177.584 0.063 0.000 1.632 125 A CA -0.005 52.069 52.037 0.061 0.000 1.337 125 A CB -1.003 18.017 19.000 0.033 0.000 1.111 125 A HN 0.438 nan 8.150 nan 0.000 0.569 126 E N 1.066 121.297 120.200 0.051 0.000 2.292 126 E HA 0.431 4.781 4.350 -0.000 0.000 0.272 126 E C -0.067 176.551 176.600 0.030 0.000 0.881 126 E CA -0.588 55.838 56.400 0.044 0.000 0.754 126 E CB 0.991 30.719 29.700 0.046 0.000 1.201 126 E HN 0.271 nan 8.360 nan 0.000 0.425 127 N N 2.313 121.028 118.700 0.025 0.000 2.405 127 N HA 0.039 4.779 4.740 -0.000 0.000 0.175 127 N C 0.660 176.181 175.510 0.019 0.000 1.051 127 N CA 0.632 53.694 53.050 0.019 0.000 0.899 127 N CB 0.535 39.032 38.487 0.016 0.000 1.000 127 N HN 0.288 nan 8.380 nan 0.000 0.451 128 V N 1.577 121.503 119.914 0.020 0.000 3.542 128 V HA 0.084 4.204 4.120 -0.000 0.000 0.296 128 V C 0.077 176.181 176.094 0.017 0.000 1.364 128 V CA -0.327 61.984 62.300 0.018 0.000 1.118 128 V CB -1.043 30.791 31.823 0.018 0.000 0.972 128 V HN 0.341 nan 8.190 nan 0.000 0.430 129 N N 1.886 120.597 118.700 0.018 0.000 2.530 129 N HA 0.054 4.794 4.740 -0.000 0.000 0.273 129 N C 0.218 175.736 175.510 0.013 0.000 1.173 129 N CA -0.344 52.715 53.050 0.015 0.000 0.967 129 N CB 0.713 39.210 38.487 0.017 0.000 1.109 129 N HN 0.345 nan 8.380 nan 0.000 0.453 130 R N 0.893 121.399 120.500 0.010 0.000 2.873 130 R HA -0.050 4.290 4.340 -0.000 0.000 0.267 130 R C -0.095 176.210 176.300 0.009 0.000 1.009 130 R CA 0.112 56.218 56.100 0.009 0.000 1.152 130 R CB 0.460 30.763 30.300 0.006 0.000 1.047 130 R HN 0.577 nan 8.270 nan 0.000 0.470 131 K N 1.176 121.582 120.400 0.009 0.000 2.382 131 K HA 0.060 4.380 4.320 -0.000 0.000 0.275 131 K C -0.427 176.177 176.600 0.007 0.000 1.009 131 K CA -0.375 55.919 56.287 0.010 0.000 0.970 131 K CB 0.851 33.358 32.500 0.011 0.000 0.934 131 K HN 0.295 nan 8.250 nan 0.000 0.479 132 V N 3.796 123.715 119.914 0.007 0.000 2.452 132 V HA -0.075 4.045 4.120 -0.000 0.000 0.286 132 V C 0.420 176.513 176.094 -0.002 0.000 0.995 132 V CA 0.428 62.730 62.300 0.002 0.000 1.116 132 V CB -0.320 31.505 31.823 0.003 0.000 0.954 132 V HN 0.733 nan 8.190 nan 0.000 0.473 133 T N 4.564 119.115 114.554 -0.005 0.000 2.919 133 T HA 0.140 4.490 4.350 -0.000 0.000 0.302 133 T C 0.720 175.414 174.700 -0.011 0.000 1.031 133 T CA -0.314 61.782 62.100 -0.007 0.000 1.127 133 T CB 0.470 69.334 68.868 -0.008 0.000 0.952 133 T HN 0.786 nan 8.240 nan 0.000 0.540 134 T N 3.992 118.539 114.554 -0.012 0.000 2.939 134 T HA -0.011 4.339 4.350 -0.000 0.000 0.319 134 T C 0.713 175.403 174.700 -0.018 0.000 1.082 134 T CA -0.031 62.059 62.100 -0.016 0.000 1.133 134 T CB 0.123 68.983 68.868 -0.014 0.000 1.019 134 T HN 0.501 nan 8.240 nan 0.000 0.548 135 Q N 2.003 121.789 119.800 -0.023 0.000 2.274 135 Q HA 0.141 4.481 4.340 -0.000 0.000 0.280 135 Q C 0.709 176.695 176.000 -0.023 0.000 1.047 135 Q CA 0.074 55.862 55.803 -0.025 0.000 0.907 135 Q CB 0.174 28.893 28.738 -0.032 0.000 1.171 135 Q HN 0.575 nan 8.270 nan 0.000 0.381 136 T N 1.278 115.819 114.554 -0.021 0.000 2.771 136 T HA 0.021 4.371 4.350 -0.000 0.000 0.290 136 T C 1.506 176.193 174.700 -0.021 0.000 1.005 136 T CA -0.386 61.702 62.100 -0.019 0.000 0.944 136 T CB 0.570 69.428 68.868 -0.016 0.000 1.147 136 T HN 0.596 nan 8.240 nan 0.000 0.534 137 T N 1.038 115.581 114.554 -0.018 0.000 2.759 137 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 137 T C 0.597 175.283 174.700 -0.022 0.000 1.042 137 T CA 1.290 63.378 62.100 -0.020 0.000 1.140 137 T CB -0.082 68.777 68.868 -0.016 0.000 0.864 137 T HN 0.494 nan 8.240 nan 0.000 0.455 138 D N -0.297 120.091 120.400 -0.020 0.000 2.732 138 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 138 D C -0.892 175.395 176.300 -0.022 0.000 1.152 138 D CA -0.561 53.426 54.000 -0.022 0.000 0.854 138 D CB 1.753 42.544 40.800 -0.014 0.000 1.590 138 D HN 0.003 nan 8.370 nan 0.000 0.468 139 D N 1.290 121.674 120.400 -0.027 0.000 2.516 139 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 139 D C 0.405 176.690 176.300 -0.026 0.000 1.246 139 D CA -0.234 53.749 54.000 -0.028 0.000 0.808 139 D CB 1.051 41.831 40.800 -0.034 0.000 1.147 139 D HN 0.141 nan 8.370 nan 0.000 0.527 140 R N 1.515 122.004 120.500 -0.018 0.000 2.811 140 R HA 0.317 4.657 4.340 -0.000 0.000 0.265 140 R C 0.524 176.837 176.300 0.021 0.000 1.026 140 R CA 0.570 56.673 56.100 0.005 0.000 1.142 140 R CB 0.671 30.984 30.300 0.022 0.000 1.027 140 R HN -0.033 nan 8.270 nan 0.000 0.465 141 K N 0.577 121.008 120.400 0.051 0.000 2.533 141 K HA 0.170 4.490 4.320 -0.000 0.000 0.284 141 K C -1.174 175.471 176.600 0.075 0.000 1.025 141 K CA -1.047 55.259 56.287 0.032 0.000 0.900 141 K CB 1.351 33.839 32.500 -0.021 0.000 1.519 141 K HN 0.395 nan 8.250 nan 0.000 0.432 142 Q N 1.217 121.045 119.800 0.047 0.000 2.286 142 Q HA 0.202 4.542 4.340 -0.000 0.000 0.257 142 Q C -1.040 174.981 176.000 0.035 0.000 0.941 142 Q CA 0.355 56.198 55.803 0.066 0.000 0.912 142 Q CB 1.037 29.800 28.738 0.043 0.000 1.192 142 Q HN 0.405 nan 8.270 nan 0.000 0.410 143 T N 2.342 116.932 114.554 0.060 0.000 2.812 143 T HA 0.510 4.860 4.350 -0.000 0.000 0.282 143 T C -0.267 174.442 174.700 0.014 0.000 0.990 143 T CA -0.617 61.459 62.100 -0.039 0.000 0.960 143 T CB 1.450 70.192 68.868 -0.210 0.000 0.948 143 T HN 0.692 nan 8.240 nan 0.000 0.438 144 G N 1.641 110.462 108.800 0.036 0.000 2.400 144 G HA2 0.639 4.599 3.960 -0.000 0.000 0.301 144 G HA3 0.639 4.599 3.960 -0.000 0.000 0.301 144 G C -1.326 173.664 174.900 0.149 0.000 1.154 144 G CA -0.421 44.740 45.100 0.103 0.000 0.852 144 G HN 0.606 nan 8.290 nan 0.000 0.511 145 L N 2.107 123.417 121.223 0.145 0.000 2.680 145 L HA 0.286 4.626 4.340 -0.000 0.000 0.260 145 L C -0.765 176.164 176.870 0.098 0.000 0.975 145 L CA -0.918 54.015 54.840 0.155 0.000 0.920 145 L CB 1.568 43.705 42.059 0.130 0.000 1.234 145 L HN 0.693 nan 8.230 nan 0.000 0.429 146 D N 3.789 124.241 120.400 0.086 0.000 2.389 146 D HA 0.368 5.008 4.640 -0.000 0.000 0.247 146 D C 0.376 176.687 176.300 0.019 0.000 1.128 146 D CA 0.049 54.080 54.000 0.053 0.000 0.884 146 D CB 1.719 42.552 40.800 0.055 0.000 1.194 146 D HN 0.708 nan 8.370 nan 0.000 0.441 147 A N 2.809 125.632 122.820 0.004 0.000 2.536 147 A HA 0.039 4.359 4.320 -0.000 0.000 0.234 147 A C 0.742 178.325 177.584 -0.003 0.000 1.076 147 A CA -0.236 51.789 52.037 -0.020 0.000 0.769 147 A CB 0.169 19.150 19.000 -0.031 0.000 1.020 147 A HN 0.641 nan 8.150 nan 0.000 0.508 148 K N 2.138 122.533 120.400 -0.008 0.000 2.229 148 K HA 0.102 4.422 4.320 -0.000 0.000 0.247 148 K C 0.049 176.678 176.600 0.048 0.000 1.117 148 K CA -0.093 56.209 56.287 0.024 0.000 1.036 148 K CB -0.098 32.413 32.500 0.019 0.000 1.654 148 K HN 0.829 nan 8.250 nan 0.000 0.405 149 Q N 2.878 122.714 119.800 0.061 0.000 2.304 149 Q HA -0.127 4.213 4.340 -0.000 0.000 0.315 149 Q C -0.919 175.130 176.000 0.081 0.000 1.075 149 Q CA 1.086 56.928 55.803 0.065 0.000 0.988 149 Q CB 0.538 29.319 28.738 0.072 0.000 1.146 149 Q HN 0.683 nan 8.270 nan 0.000 0.383 150 Q N 2.611 122.458 119.800 0.078 0.000 2.575 150 Q HA 0.332 4.672 4.340 -0.000 0.000 0.290 150 Q C -1.948 174.115 176.000 0.104 0.000 0.963 150 Q CA -0.643 55.219 55.803 0.099 0.000 0.783 150 Q CB 1.817 30.624 28.738 0.115 0.000 1.467 150 Q HN 0.725 nan 8.270 nan 0.000 0.402 151 Q N 1.728 121.606 119.800 0.129 0.000 2.284 151 Q HA 0.585 4.925 4.340 -0.000 0.000 0.269 151 Q C -1.286 174.806 176.000 0.155 0.000 1.026 151 Q CA -0.395 55.512 55.803 0.174 0.000 0.831 151 Q CB 2.572 31.445 28.738 0.225 0.000 1.322 151 Q HN 0.529 nan 8.270 nan 0.000 0.419 152 I N 3.042 123.716 120.570 0.172 0.000 2.478 152 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 152 I C -1.489 174.718 176.117 0.149 0.000 1.042 152 I CA -0.909 60.481 61.300 0.151 0.000 1.067 152 I CB 1.746 39.839 38.000 0.156 0.000 1.233 152 I HN 0.379 nan 8.210 nan 0.000 0.431 153 L N 8.982 130.248 121.223 0.071 0.000 2.381 153 L HA 0.744 5.084 4.340 -0.000 0.000 0.274 153 L C -1.377 175.429 176.870 -0.106 0.000 0.988 153 L CA -0.555 54.295 54.840 0.017 0.000 0.824 153 L CB 1.631 43.654 42.059 -0.061 0.000 1.263 153 L HN 0.486 nan 8.230 nan 0.000 0.410 154 L N 3.756 124.917 121.223 -0.104 0.000 2.434 154 L HA 0.864 5.204 4.340 -0.000 0.000 0.260 154 L C -1.738 175.071 176.870 -0.102 0.000 0.983 154 L CA -1.003 53.718 54.840 -0.198 0.000 0.820 154 L CB 1.682 43.679 42.059 -0.103 0.000 1.361 154 L HN 0.562 nan 8.230 nan 0.000 0.410 155 L N 1.025 122.193 121.223 -0.090 0.000 2.401 155 L HA 1.088 5.428 4.340 -0.000 0.000 0.266 155 L C -0.065 177.182 176.870 0.628 0.000 0.991 155 L CA 0.601 55.606 54.840 0.276 0.000 0.818 155 L CB 1.976 44.277 42.059 0.404 0.000 1.321 155 L HN 1.145 nan 8.230 nan 0.000 0.413 156 G N 1.287 110.538 108.800 0.751 0.000 2.561 156 G HA2 0.275 4.235 3.960 -0.000 0.000 0.310 156 G HA3 0.275 4.235 3.960 -0.000 0.000 0.310 156 G C -0.574 174.718 174.900 0.653 0.000 1.292 156 G CA 0.225 45.566 45.100 0.401 0.000 0.811 156 G HN 0.747 nan 8.290 nan 0.000 0.482 157 C N -0.766 118.546 119.300 0.020 0.000 2.513 157 C HA 0.469 4.929 4.460 -0.000 0.000 0.292 157 C C 1.262 176.299 174.990 0.077 0.000 1.359 157 C CA 1.644 60.786 59.018 0.206 0.000 1.778 157 C CB -0.513 27.296 27.740 0.116 0.000 2.180 157 C HN 0.731 nan 8.230 nan 0.000 0.509 158 T N 2.932 117.371 114.554 -0.193 0.000 2.925 158 T HA 0.392 4.742 4.350 -0.000 0.000 0.285 158 T C -2.720 171.483 174.700 -0.829 0.000 1.021 158 T CA -0.761 61.043 62.100 -0.493 0.000 1.042 158 T CB 1.396 70.129 68.868 -0.225 0.000 1.037 158 T HN 0.190 nan 8.240 nan 0.000 0.481 159 P HA 0.178 nan 4.420 nan 0.000 0.265 159 P C -0.566 176.490 177.300 -0.407 0.000 1.193 159 P CA -0.251 62.294 63.100 -0.924 0.000 0.765 159 P CB 0.281 31.519 31.700 -0.770 0.000 0.823 160 A N 3.676 126.309 122.820 -0.311 0.000 2.445 160 A HA 0.111 4.431 4.320 -0.000 0.000 0.242 160 A C 0.402 177.814 177.584 -0.286 0.000 1.075 160 A CA -0.093 51.777 52.037 -0.279 0.000 0.777 160 A CB -0.229 18.599 19.000 -0.287 0.000 1.013 160 A HN 0.570 nan 8.150 nan 0.000 0.493 161 E N 0.257 120.273 120.200 -0.307 0.000 2.204 161 E HA 0.526 4.876 4.350 -0.000 0.000 0.276 161 E C 0.284 176.631 176.600 -0.421 0.000 0.974 161 E CA -0.279 55.910 56.400 -0.352 0.000 0.815 161 E CB 1.829 31.340 29.700 -0.315 0.000 1.119 161 E HN 0.800 nan 8.360 nan 0.000 0.393 162 G N 1.670 110.197 108.800 -0.454 0.000 2.600 162 G HA2 0.522 4.482 3.960 -0.000 0.000 0.303 162 G HA3 0.522 4.482 3.960 -0.000 0.000 0.303 162 G C -1.068 173.569 174.900 -0.438 0.000 1.253 162 G CA -0.629 44.197 45.100 -0.456 0.000 0.974 162 G HN 0.565 nan 8.290 nan 0.000 0.483 163 E N -0.951 119.047 120.200 -0.336 0.000 2.336 163 E HA 0.746 5.096 4.350 -0.000 0.000 0.267 163 E C -1.323 175.180 176.600 -0.162 0.000 0.906 163 E CA -1.112 55.114 56.400 -0.289 0.000 0.781 163 E CB 2.458 32.021 29.700 -0.227 0.000 1.261 163 E HN 0.821 nan 8.360 nan 0.000 0.436 164 Y N -2.214 117.853 120.300 -0.388 0.000 2.741 164 Y HA 0.528 5.078 4.550 0.000 0.000 0.339 164 Y C -1.911 173.685 175.900 -0.506 0.000 1.226 164 Y CA -1.865 56.037 58.100 -0.330 0.000 1.072 164 Y CB 1.099 39.462 38.460 -0.161 0.000 1.331 164 Y HN 0.556 nan 8.280 nan 0.000 0.453 165 W N 1.788 123.090 121.300 0.002 0.000 2.551 165 W HA 0.670 5.330 4.660 -0.000 0.000 0.330 165 W C -0.263 176.104 176.519 -0.254 0.000 1.063 165 W CA -0.233 57.047 57.345 -0.108 0.000 1.222 165 W CB 2.210 31.670 29.460 0.000 0.000 1.349 165 W HN 0.750 nan 8.180 nan 0.000 0.536 166 T N -1.816 112.740 114.554 0.003 0.000 2.696 166 T HA 0.589 4.939 4.350 -0.000 0.000 0.291 166 T C -0.656 174.058 174.700 0.023 0.000 1.095 166 T CA -0.983 61.065 62.100 -0.087 0.000 1.026 166 T CB 1.385 70.092 68.868 -0.270 0.000 1.390 166 T HN 0.107 nan 8.240 nan 0.000 0.513 167 T N 1.769 116.322 114.554 -0.001 0.000 2.744 167 T HA 0.683 5.033 4.350 -0.000 0.000 0.291 167 T C 0.216 174.922 174.700 0.010 0.000 0.957 167 T CA -0.424 61.685 62.100 0.015 0.000 1.002 167 T CB 0.627 69.499 68.868 0.008 0.000 0.919 167 T HN 0.971 nan 8.240 nan 0.000 0.468 168 A N 3.893 126.728 122.820 0.024 0.000 2.331 168 A HA 0.577 4.897 4.320 -0.000 0.000 0.283 168 A C 0.412 178.004 177.584 0.014 0.000 1.142 168 A CA -1.041 51.009 52.037 0.021 0.000 0.812 168 A CB 0.147 19.168 19.000 0.035 0.000 1.074 168 A HN 0.920 nan 8.150 nan 0.000 0.497 169 R N 2.830 123.336 120.500 0.010 0.000 2.481 169 R HA 0.221 4.561 4.340 -0.000 0.000 0.291 169 R C -2.412 173.893 176.300 0.008 0.000 0.934 169 R CA -0.412 55.692 56.100 0.008 0.000 1.116 169 R CB -0.973 29.332 30.300 0.007 0.000 0.895 169 R HN 0.487 nan 8.270 nan 0.000 0.410 170 P HA 0.098 nan 4.420 nan 0.000 0.275 170 P C -0.427 176.875 177.300 0.003 0.000 1.228 170 P CA -0.665 62.437 63.100 0.003 0.000 0.786 170 P CB 0.678 32.378 31.700 0.000 0.000 0.927 171 C N 1.053 120.355 119.300 0.003 0.000 2.649 171 C HA 0.071 4.531 4.460 -0.000 0.000 0.377 171 C C 2.620 177.612 174.990 0.002 0.000 1.321 171 C CA -0.624 58.396 59.018 0.003 0.000 2.368 171 C CB -0.157 27.585 27.740 0.004 0.000 2.597 171 C HN 0.457 nan 8.230 nan 0.000 0.678 172 V N 1.064 120.979 119.914 0.002 0.000 2.343 172 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 172 V C 1.661 177.755 176.094 0.001 0.000 1.051 172 V CA 2.119 64.420 62.300 0.001 0.000 1.036 172 V CB -0.921 30.903 31.823 0.002 0.000 0.654 172 V HN 1.038 nan 8.190 nan 0.000 0.451 173 T N 1.322 115.876 114.554 0.001 0.000 2.867 173 T HA -0.145 4.205 4.350 -0.000 0.000 0.290 173 T C -0.107 174.593 174.700 -0.001 0.000 1.025 173 T CA 0.411 62.511 62.100 0.000 0.000 1.146 173 T CB -0.296 68.572 68.868 0.001 0.000 1.024 173 T HN 0.452 nan 8.240 nan 0.000 0.519 174 D N 4.336 124.736 120.400 -0.001 0.000 2.453 174 D HA 0.290 4.930 4.640 -0.000 0.000 0.238 174 D C 0.308 176.607 176.300 -0.002 0.000 1.088 174 D CA -0.641 53.358 54.000 -0.002 0.000 0.854 174 D CB 0.470 41.269 40.800 -0.002 0.000 1.076 174 D HN 0.497 nan 8.370 nan 0.000 0.533 175 R N 3.123 123.621 120.500 -0.003 0.000 2.569 175 R HA 0.237 4.577 4.340 -0.000 0.000 0.422 175 R C 0.242 176.539 176.300 -0.005 0.000 0.980 175 R CA -0.332 55.766 56.100 -0.004 0.000 1.164 175 R CB 0.189 30.487 30.300 -0.003 0.000 1.520 175 R HN 0.411 nan 8.270 nan 0.000 0.567 176 L N 1.144 122.364 121.223 -0.005 0.000 2.473 176 L HA 0.166 4.506 4.340 -0.000 0.000 0.268 176 L C 0.646 177.511 176.870 -0.008 0.000 1.215 176 L CA 0.680 55.516 54.840 -0.007 0.000 0.823 176 L CB 0.335 42.390 42.059 -0.006 0.000 1.099 176 L HN -0.017 nan 8.230 nan 0.000 0.483 177 E N 0.158 120.352 120.200 -0.010 0.000 2.459 177 E HA 0.245 4.595 4.350 -0.000 0.000 0.275 177 E C -0.151 176.442 176.600 -0.012 0.000 0.987 177 E CA -0.881 55.513 56.400 -0.011 0.000 0.828 177 E CB 1.173 30.866 29.700 -0.012 0.000 1.428 177 E HN 0.448 nan 8.360 nan 0.000 0.457 178 N N -0.074 118.618 118.700 -0.013 0.000 2.300 178 N HA -0.030 4.710 4.740 -0.000 0.000 0.179 178 N C 1.339 176.838 175.510 -0.018 0.000 1.016 178 N CA 1.094 54.136 53.050 -0.015 0.000 0.876 178 N CB -0.058 38.420 38.487 -0.014 0.000 0.979 178 N HN 0.552 nan 8.380 nan 0.000 0.432 179 G N -0.514 108.274 108.800 -0.020 0.000 3.141 179 G HA2 0.348 4.308 3.960 -0.000 0.000 0.218 179 G HA3 0.348 4.308 3.960 -0.000 0.000 0.218 179 G C 0.291 175.175 174.900 -0.026 0.000 1.170 179 G CA 0.065 45.150 45.100 -0.026 0.000 0.769 179 G HN 0.393 nan 8.290 nan 0.000 0.546 180 A N -0.295 122.512 122.820 -0.022 0.000 2.498 180 A HA 0.321 4.641 4.320 -0.000 0.000 0.239 180 A C 0.716 178.284 177.584 -0.026 0.000 1.068 180 A CA -0.182 51.842 52.037 -0.022 0.000 0.766 180 A CB 0.033 19.024 19.000 -0.016 0.000 1.003 180 A HN 0.429 nan 8.150 nan 0.000 0.497 181 C N 5.907 125.190 119.300 -0.029 0.000 2.624 181 C HA 0.431 4.891 4.460 -0.000 0.000 0.397 181 C C -1.383 173.589 174.990 -0.030 0.000 1.331 181 C CA -1.726 57.271 59.018 -0.035 0.000 1.716 181 C CB -0.722 26.994 27.740 -0.041 0.000 2.452 181 C HN 0.767 nan 8.230 nan 0.000 0.586 182 P HA 0.220 nan 4.420 nan 0.000 0.264 182 P C -2.546 174.742 177.300 -0.021 0.000 1.193 182 P CA -0.529 62.559 63.100 -0.020 0.000 0.763 182 P CB -0.035 31.655 31.700 -0.017 0.000 0.810 183 P HA 0.315 nan 4.420 nan 0.000 0.272 183 P C -0.317 176.987 177.300 0.006 0.000 1.240 183 P CA -0.123 62.973 63.100 -0.007 0.000 0.791 183 P CB 0.543 32.245 31.700 0.004 0.000 0.978 184 L N 0.471 121.701 121.223 0.013 0.000 2.309 184 L HA 0.676 5.016 4.340 -0.000 0.000 0.261 184 L C -0.013 176.965 176.870 0.180 0.000 1.021 184 L CA -0.570 54.312 54.840 0.069 0.000 0.823 184 L CB 2.139 44.180 42.059 -0.031 0.000 1.366 184 L HN 0.428 nan 8.230 nan 0.000 0.423 185 E N 1.061 121.481 120.200 0.366 0.000 2.380 185 E HA 0.323 4.673 4.350 -0.000 0.000 0.281 185 E C -2.003 174.783 176.600 0.309 0.000 0.999 185 E CA -0.794 55.840 56.400 0.390 0.000 0.800 185 E CB 2.419 32.211 29.700 0.154 0.000 1.228 185 E HN 0.415 nan 8.360 nan 0.000 0.436 186 L N 2.674 123.885 121.223 -0.021 0.000 2.395 186 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 186 L C -0.954 175.775 176.870 -0.235 0.000 1.133 186 L CA 0.378 54.847 54.840 -0.618 0.000 0.812 186 L CB 0.565 42.190 42.059 -0.724 0.000 1.125 186 L HN 0.487 nan 8.230 nan 0.000 0.452 187 K N 2.968 123.295 120.400 -0.122 0.000 2.502 187 K HA 0.424 4.744 4.320 -0.000 0.000 0.257 187 K C -1.327 175.313 176.600 0.067 0.000 0.938 187 K CA -1.010 55.360 56.287 0.138 0.000 0.819 187 K CB 1.793 34.534 32.500 0.402 0.000 1.333 187 K HN 0.523 nan 8.250 nan 0.000 0.434 188 N N 1.525 120.157 118.700 -0.114 0.000 2.482 188 N HA 0.476 5.216 4.740 -0.000 0.000 0.279 188 N C -1.092 174.161 175.510 -0.429 0.000 1.182 188 N CA -0.492 52.371 53.050 -0.311 0.000 0.969 188 N CB 1.310 39.634 38.487 -0.271 0.000 1.201 188 N HN 0.454 nan 8.380 nan 0.000 0.523 189 K N -0.426 119.632 120.400 -0.570 0.000 2.642 189 K HA 0.282 4.602 4.320 -0.000 0.000 0.290 189 K C -1.474 174.721 176.600 -0.676 0.000 1.006 189 K CA -0.601 55.316 56.287 -0.616 0.000 0.869 189 K CB 0.678 32.830 32.500 -0.580 0.000 1.499 189 K HN 0.668 nan 8.250 nan 0.000 0.403 190 H N 0.771 119.590 119.070 -0.418 0.000 2.495 190 H HA 0.407 4.963 4.556 -0.000 0.000 0.350 190 H C -0.222 174.881 175.328 -0.377 0.000 1.202 190 H CA -0.520 55.277 56.048 -0.418 0.000 1.322 190 H CB 0.845 30.323 29.762 -0.473 0.000 1.544 190 H HN 0.253 nan 8.280 nan 0.000 0.565 191 I N 2.085 122.520 120.570 -0.225 0.000 2.312 191 I HA 0.121 4.291 4.170 -0.000 0.000 0.291 191 I C 0.298 176.343 176.117 -0.120 0.000 1.031 191 I CA -0.142 60.998 61.300 -0.265 0.000 1.293 191 I CB 0.544 38.284 38.000 -0.433 0.000 1.403 191 I HN 0.600 nan 8.210 nan 0.000 0.484 192 E N 3.938 124.144 120.200 0.010 0.000 2.700 192 E HA 0.082 4.432 4.350 -0.000 0.000 0.253 192 E C 0.320 177.035 176.600 0.191 0.000 1.175 192 E CA -0.737 55.807 56.400 0.240 0.000 1.010 192 E CB 0.989 30.857 29.700 0.280 0.000 1.284 192 E HN 0.495 nan 8.360 nan 0.000 0.557 193 D N 0.024 120.601 120.400 0.295 0.000 2.149 193 D HA -0.047 4.593 4.640 -0.000 0.000 0.201 193 D C 0.628 177.010 176.300 0.137 0.000 0.972 193 D CA 0.757 54.881 54.000 0.207 0.000 0.835 193 D CB -0.076 40.877 40.800 0.256 0.000 0.966 193 D HN 0.476 nan 8.370 nan 0.000 0.476 194 G N 1.225 110.100 108.800 0.124 0.000 4.464 194 G HA2 0.221 4.181 3.960 -0.000 0.000 0.297 194 G HA3 0.221 4.181 3.960 -0.000 0.000 0.297 194 G C -0.573 174.386 174.900 0.098 0.000 1.342 194 G CA -0.509 44.649 45.100 0.096 0.000 1.335 194 G HN -0.014 nan 8.290 nan 0.000 0.609 195 D N 0.613 121.092 120.400 0.132 0.000 2.385 195 D HA 0.416 5.056 4.640 -0.000 0.000 0.254 195 D C 0.433 176.844 176.300 0.185 0.000 1.053 195 D CA -0.454 53.630 54.000 0.139 0.000 0.992 195 D CB 1.333 42.194 40.800 0.103 0.000 1.145 195 D HN -0.034 nan 8.370 nan 0.000 0.523 196 M N 0.941 120.630 119.600 0.148 0.000 2.233 196 M HA 0.269 4.749 4.480 -0.000 0.000 0.355 196 M C 0.114 176.528 176.300 0.190 0.000 1.191 196 M CA -0.720 54.640 55.300 0.100 0.000 1.101 196 M CB 1.287 33.902 32.600 0.025 0.000 1.592 196 M HN 0.377 nan 8.290 nan 0.000 0.461 197 M N 2.532 122.115 119.600 -0.029 0.000 2.202 197 M HA 0.116 4.596 4.480 -0.000 0.000 0.316 197 M C 0.196 176.521 176.300 0.041 0.000 1.138 197 M CA 0.292 55.521 55.300 -0.117 0.000 1.151 197 M CB 0.397 32.818 32.600 -0.299 0.000 1.422 197 M HN 0.497 nan 8.290 nan 0.000 0.471 198 E N 3.880 124.152 120.200 0.120 0.000 2.052 198 E HA 0.204 4.554 4.350 -0.000 0.000 0.283 198 E C -1.379 175.243 176.600 0.037 0.000 1.071 198 E CA -0.109 56.364 56.400 0.122 0.000 0.851 198 E CB -0.309 29.528 29.700 0.229 0.000 1.066 198 E HN 0.659 nan 8.360 nan 0.000 0.396 199 I N 2.909 123.450 120.570 -0.048 0.000 2.395 199 I HA 0.332 4.502 4.170 -0.000 0.000 0.282 199 I C 1.299 177.236 176.117 -0.300 0.000 1.107 199 I CA -0.460 60.750 61.300 -0.149 0.000 1.210 199 I CB 0.537 38.412 38.000 -0.208 0.000 1.456 199 I HN 0.686 nan 8.210 nan 0.000 0.504 200 G N 3.596 112.345 108.800 -0.085 0.000 2.382 200 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.259 200 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.259 200 G C 0.056 175.234 174.900 0.464 0.000 1.009 200 G CA 0.346 45.492 45.100 0.077 0.000 0.625 200 G HN 0.439 nan 8.290 nan 0.000 0.541 201 F N 0.911 120.947 119.950 0.144 0.000 2.556 201 F HA 0.744 5.271 4.527 -0.000 0.000 0.327 201 F C 1.088 177.016 175.800 0.213 0.000 1.059 201 F CA -1.793 56.295 58.000 0.148 0.000 0.953 201 F CB 0.405 39.479 39.000 0.123 0.000 1.227 201 F HN 0.272 nan 8.300 nan 0.000 0.478 202 G N 0.207 109.241 108.800 0.390 0.000 2.647 202 G HA2 0.364 4.324 3.960 -0.000 0.000 0.234 202 G HA3 0.364 4.324 3.960 -0.000 0.000 0.234 202 G C -0.499 174.690 174.900 0.483 0.000 1.252 202 G CA -0.104 45.199 45.100 0.339 0.000 0.846 202 G HN 0.900 nan 8.290 nan 0.000 0.589 203 A N 0.354 123.401 122.820 0.379 0.000 2.309 203 A HA 0.777 5.097 4.320 -0.000 0.000 0.290 203 A C 0.506 178.289 177.584 0.330 0.000 1.206 203 A CA 0.462 52.664 52.037 0.274 0.000 0.850 203 A CB 0.348 19.453 19.000 0.176 0.000 1.118 203 A HN 2.262 nan 8.150 nan 0.000 0.523 204 A N 2.946 125.833 122.820 0.112 0.000 2.597 204 A HA 0.566 4.886 4.320 -0.000 0.000 0.292 204 A C -0.925 176.586 177.584 -0.122 0.000 1.057 204 A CA -0.861 51.266 52.037 0.149 0.000 0.674 204 A CB 0.665 19.955 19.000 0.483 0.000 1.278 204 A HN 1.188 nan 8.150 nan 0.000 0.416 205 N N 1.382 120.076 118.700 -0.011 0.000 2.421 205 N HA 0.173 4.913 4.740 -0.000 0.000 0.260 205 N C -0.107 175.508 175.510 0.175 0.000 1.173 205 N CA -0.432 52.626 53.050 0.013 0.000 0.960 205 N CB -0.189 38.305 38.487 0.012 0.000 1.273 205 N HN 0.402 nan 8.380 nan 0.000 0.497 206 F N 1.444 121.440 119.950 0.076 0.000 2.333 206 F HA -0.029 4.498 4.527 -0.000 0.000 0.300 206 F C 1.715 177.540 175.800 0.041 0.000 1.083 206 F CA 0.337 58.376 58.000 0.064 0.000 1.395 206 F CB -0.405 38.650 39.000 0.091 0.000 1.056 206 F HN 0.412 nan 8.300 nan 0.000 0.529 207 K N 0.338 120.873 120.400 0.225 0.000 2.173 207 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 207 K C 1.226 177.882 176.600 0.094 0.000 1.046 207 K CA 1.875 58.243 56.287 0.135 0.000 0.929 207 K CB -0.317 32.240 32.500 0.095 0.000 0.720 207 K HN 0.408 nan 8.250 nan 0.000 0.453 208 E N -0.384 119.872 120.200 0.092 0.000 2.481 208 E HA 0.075 4.425 4.350 -0.000 0.000 0.198 208 E C 1.062 177.687 176.600 0.041 0.000 1.027 208 E CA -0.068 56.364 56.400 0.052 0.000 0.900 208 E CB 0.511 30.234 29.700 0.037 0.000 0.993 208 E HN 0.177 nan 8.360 nan 0.000 0.482 209 I N 0.553 121.160 120.570 0.062 0.000 3.616 209 I HA 0.025 4.195 4.170 -0.000 0.000 0.296 209 I C 0.654 176.732 176.117 -0.066 0.000 1.226 209 I CA 0.342 61.642 61.300 -0.000 0.000 1.394 209 I CB -0.184 37.824 38.000 0.013 0.000 1.171 209 I HN -0.019 nan 8.210 nan 0.000 0.442 210 N N 2.184 120.858 118.700 -0.042 0.000 2.527 210 N HA 0.357 5.097 4.740 -0.000 0.000 0.236 210 N C 0.351 175.838 175.510 -0.039 0.000 0.999 210 N CA 0.061 53.062 53.050 -0.081 0.000 0.935 210 N CB 1.376 39.813 38.487 -0.083 0.000 1.132 210 N HN 0.112 nan 8.380 nan 0.000 0.511 211 A N 2.183 124.970 122.820 -0.055 0.000 2.308 211 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 211 A C 1.340 178.894 177.584 -0.050 0.000 1.216 211 A CA 0.054 52.068 52.037 -0.038 0.000 0.864 211 A CB 0.179 19.157 19.000 -0.037 0.000 0.902 211 A HN 0.554 nan 8.150 nan 0.000 0.499 212 S N -0.455 115.199 115.700 -0.077 0.000 2.497 212 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 212 S C 0.739 175.290 174.600 -0.083 0.000 1.037 212 S CA 0.260 58.406 58.200 -0.091 0.000 0.920 212 S CB 0.249 63.367 63.200 -0.136 0.000 0.800 212 S HN 0.457 nan 8.310 nan 0.000 0.505 213 K N 0.480 120.834 120.400 -0.076 0.000 3.547 213 K HA -0.137 4.183 4.320 -0.000 0.000 0.309 213 K C 0.793 177.326 176.600 -0.112 0.000 1.324 213 K CA 1.331 57.597 56.287 -0.034 0.000 0.988 213 K CB -2.545 29.965 32.500 0.016 0.000 1.261 213 K HN 0.623 nan 8.250 nan 0.000 0.444 214 S N -1.129 114.435 115.700 -0.226 0.000 2.578 214 S HA 0.185 4.655 4.470 -0.000 0.000 0.231 214 S C 0.611 174.818 174.600 -0.656 0.000 0.994 214 S CA -0.108 57.849 58.200 -0.406 0.000 0.956 214 S CB 0.567 63.579 63.200 -0.314 0.000 0.870 214 S HN 0.077 nan 8.310 nan 0.000 0.494 215 D N 1.515 121.635 120.400 -0.468 0.000 2.349 215 D HA 0.414 5.054 4.640 -0.000 0.000 0.214 215 D C 0.033 176.196 176.300 -0.228 0.000 1.063 215 D CA 0.263 53.948 54.000 -0.525 0.000 0.847 215 D CB 0.336 40.876 40.800 -0.432 0.000 0.933 215 D HN 0.430 nan 8.370 nan 0.000 0.513 216 L N -0.726 120.516 121.223 0.032 0.000 2.403 216 L HA 0.517 4.857 4.340 -0.000 0.000 0.253 216 L C -2.591 174.574 176.870 0.491 0.000 1.045 216 L CA -2.440 52.642 54.840 0.404 0.000 0.845 216 L CB 2.189 44.445 42.059 0.329 0.000 1.447 216 L HN -0.408 nan 8.230 nan 0.000 0.411 217 P HA 0.132 nan 4.420 nan 0.000 0.280 217 P C 0.291 177.864 177.300 0.454 0.000 1.244 217 P CA -0.455 62.886 63.100 0.401 0.000 0.784 217 P CB 0.949 32.786 31.700 0.228 0.000 0.913 218 L N 3.955 125.537 121.223 0.598 0.000 2.081 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 218 L C 1.558 178.739 176.870 0.518 0.000 1.080 218 L CA 2.230 57.426 54.840 0.594 0.000 0.754 218 L CB -1.141 41.127 42.059 0.347 0.000 0.893 218 L HN 0.389 nan 8.230 nan 0.000 0.433 219 D N -0.979 119.756 120.400 0.558 0.000 2.144 219 D HA -0.247 4.393 4.640 -0.000 0.000 0.199 219 D C 2.154 178.588 176.300 0.225 0.000 0.984 219 D CA 1.558 55.774 54.000 0.360 0.000 0.834 219 D CB -0.660 40.124 40.800 -0.027 0.000 0.955 219 D HN 0.392 nan 8.370 nan 0.000 0.465 220 I N 0.721 121.417 120.570 0.210 0.000 2.480 220 I HA -0.046 4.124 4.170 -0.000 0.000 0.251 220 I C 0.935 177.194 176.117 0.238 0.000 1.124 220 I CA 0.321 61.724 61.300 0.172 0.000 1.444 220 I CB -0.777 37.315 38.000 0.154 0.000 1.098 220 I HN 0.171 nan 8.210 nan 0.000 0.428 221 Q N 1.886 121.870 119.800 0.307 0.000 2.342 221 Q HA -0.268 4.072 4.340 -0.000 0.000 0.330 221 Q C 0.749 176.889 176.000 0.234 0.000 1.117 221 Q CA 1.312 57.300 55.803 0.309 0.000 1.010 221 Q CB 0.093 29.000 28.738 0.282 0.000 1.204 221 Q HN 0.522 nan 8.270 nan 0.000 0.400 222 N N 0.460 119.298 118.700 0.229 0.000 2.863 222 N HA -0.189 4.551 4.740 -0.000 0.000 0.245 222 N C -1.637 173.948 175.510 0.125 0.000 1.001 222 N CA 1.867 55.013 53.050 0.161 0.000 0.901 222 N CB -0.219 38.343 38.487 0.124 0.000 1.124 222 N HN 0.715 nan 8.380 nan 0.000 0.582 223 E N 0.015 120.282 120.200 0.112 0.000 2.336 223 E HA 0.449 4.799 4.350 -0.000 0.000 0.267 223 E C 0.046 176.612 176.600 -0.056 0.000 0.906 223 E CA -0.743 55.688 56.400 0.051 0.000 0.781 223 E CB 1.215 30.954 29.700 0.066 0.000 1.261 223 E HN 0.282 nan 8.360 nan 0.000 0.436 224 I N 1.011 121.554 120.570 -0.045 0.000 2.342 224 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 224 I C 0.093 176.140 176.117 -0.117 0.000 1.010 224 I CA -0.547 60.694 61.300 -0.099 0.000 1.308 224 I CB 0.824 38.851 38.000 0.045 0.000 1.400 224 I HN 0.195 nan 8.210 nan 0.000 0.488 225 C N 7.781 126.934 119.300 -0.246 0.000 2.349 225 C HA 0.412 4.872 4.460 -0.000 0.000 0.348 225 C C 0.644 175.632 174.990 -0.004 0.000 1.223 225 C CA -0.392 58.551 59.018 -0.124 0.000 1.746 225 C CB -0.865 26.744 27.740 -0.217 0.000 2.360 225 C HN 0.609 nan 8.230 nan 0.000 0.533 226 L N 3.375 124.619 121.223 0.035 0.000 2.544 226 L HA 0.650 4.990 4.340 -0.000 0.000 0.256 226 L C -0.582 176.352 176.870 0.106 0.000 1.097 226 L CA -0.698 54.113 54.840 -0.047 0.000 0.812 226 L CB 1.168 43.066 42.059 -0.267 0.000 1.440 226 L HN 0.538 nan 8.230 nan 0.000 0.496 227 Y N -0.478 119.694 120.300 -0.213 0.000 2.656 227 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 227 Y C -2.645 173.038 175.900 -0.361 0.000 1.179 227 Y CA -2.037 55.957 58.100 -0.176 0.000 1.050 227 Y CB 2.096 40.502 38.460 -0.089 0.000 1.308 227 Y HN 0.200 nan 8.280 nan 0.000 0.456 228 P HA 0.160 nan 4.420 nan 0.000 0.287 228 P C -1.098 175.575 177.300 -1.046 0.000 1.307 228 P CA 0.058 62.453 63.100 -1.175 0.000 0.777 228 P CB 0.579 31.254 31.700 -1.709 0.000 0.883 229 D N 2.888 122.904 120.400 -0.640 0.000 2.688 229 D HA 0.016 4.656 4.640 -0.000 0.000 0.228 229 D C 0.643 176.730 176.300 -0.354 0.000 1.116 229 D CA -0.254 53.522 54.000 -0.373 0.000 1.023 229 D CB -0.484 40.151 40.800 -0.275 0.000 1.100 229 D HN 0.306 nan 8.370 nan 0.000 0.487 230 Y N 0.723 120.886 120.300 -0.229 0.000 2.181 230 Y HA -0.276 4.274 4.550 -0.000 0.000 0.284 230 Y C 2.265 178.075 175.900 -0.149 0.000 1.179 230 Y CA 0.746 58.691 58.100 -0.259 0.000 1.179 230 Y CB -0.124 38.182 38.460 -0.257 0.000 0.973 230 Y HN 0.294 nan 8.280 nan 0.000 0.519 231 L N -0.151 121.106 121.223 0.057 0.000 2.012 231 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 231 L C 2.517 179.378 176.870 -0.016 0.000 1.073 231 L CA 1.738 56.596 54.840 0.030 0.000 0.748 231 L CB -0.603 41.474 42.059 0.029 0.000 0.891 231 L HN 0.133 nan 8.230 nan 0.000 0.431 232 K N 0.170 120.532 120.400 -0.064 0.000 2.057 232 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 232 K C 2.132 178.683 176.600 -0.082 0.000 1.049 232 K CA 1.451 57.687 56.287 -0.085 0.000 0.931 232 K CB -0.078 32.342 32.500 -0.133 0.000 0.714 232 K HN 0.074 nan 8.250 nan 0.000 0.440 233 M N 0.028 119.566 119.600 -0.102 0.000 2.159 233 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 233 M C 2.154 178.431 176.300 -0.037 0.000 1.063 233 M CA 1.743 56.987 55.300 -0.094 0.000 1.110 233 M CB -1.236 31.286 32.600 -0.130 0.000 1.374 233 M HN 0.257 nan 8.290 nan 0.000 0.411 234 A N -0.663 122.153 122.820 -0.006 0.000 2.206 234 A HA -0.075 4.245 4.320 -0.000 0.000 0.211 234 A C 2.124 179.717 177.584 0.015 0.000 1.158 234 A CA 1.080 53.132 52.037 0.025 0.000 0.761 234 A CB -0.530 18.499 19.000 0.048 0.000 0.801 234 A HN 0.584 nan 8.150 nan 0.000 0.473 235 E N 0.140 120.338 120.200 -0.003 0.000 2.251 235 E HA -0.024 4.326 4.350 -0.000 0.000 0.194 235 E C -0.508 176.090 176.600 -0.004 0.000 0.964 235 E CA -0.270 56.130 56.400 -0.001 0.000 0.868 235 E CB 0.139 29.834 29.700 -0.008 0.000 0.828 235 E HN 0.464 nan 8.360 nan 0.000 0.481 236 D N 1.073 121.463 120.400 -0.017 0.000 2.487 236 D HA -0.048 4.592 4.640 -0.000 0.000 0.243 236 D C 0.745 177.047 176.300 0.004 0.000 1.154 236 D CA 0.419 54.409 54.000 -0.016 0.000 0.876 236 D CB 1.525 42.304 40.800 -0.036 0.000 1.161 236 D HN 0.208 nan 8.370 nan 0.000 0.478 237 A N 3.739 126.568 122.820 0.016 0.000 1.873 237 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 237 A C 2.160 179.776 177.584 0.052 0.000 1.193 237 A CA 2.346 54.406 52.037 0.039 0.000 0.629 237 A CB -0.731 18.297 19.000 0.047 0.000 0.826 237 A HN 0.668 nan 8.150 nan 0.000 0.447 238 A N -1.990 120.860 122.820 0.050 0.000 1.859 238 A HA 0.170 4.490 4.320 -0.000 0.000 0.218 238 A C 2.504 180.109 177.584 0.036 0.000 1.209 238 A CA 2.833 54.914 52.037 0.073 0.000 0.639 238 A CB -1.369 17.666 19.000 0.058 0.000 0.835 238 A HN 2.213 nan 8.150 nan 0.000 0.450 239 G N -2.177 106.613 108.800 -0.017 0.000 2.175 239 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 239 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 239 G C 0.618 175.416 174.900 -0.171 0.000 0.982 239 G CA 0.912 45.975 45.100 -0.061 0.000 0.641 239 G HN 0.461 nan 8.290 nan 0.000 0.527 240 N N 1.143 119.757 118.700 -0.144 0.000 2.192 240 N HA -0.075 4.665 4.740 -0.000 0.000 0.188 240 N C 2.322 177.660 175.510 -0.287 0.000 1.013 240 N CA 1.547 54.462 53.050 -0.225 0.000 0.863 240 N CB -0.371 38.076 38.487 -0.066 0.000 0.990 240 N HN 0.479 nan 8.380 nan 0.000 0.430 241 S N 0.314 115.892 115.700 -0.202 0.000 2.374 241 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 241 S C 0.939 175.415 174.600 -0.206 0.000 1.037 241 S CA 1.348 59.429 58.200 -0.197 0.000 1.024 241 S CB -0.206 62.898 63.200 -0.158 0.000 0.861 241 S HN 0.570 nan 8.310 nan 0.000 0.456 242 M N -1.983 117.493 119.600 -0.206 0.000 2.274 242 M HA 0.440 4.920 4.480 -0.000 0.000 0.272 242 M C -0.812 175.444 176.300 -0.073 0.000 1.053 242 M CA -0.458 54.771 55.300 -0.118 0.000 0.978 242 M CB 0.755 33.334 32.600 -0.035 0.000 1.836 242 M HN -0.138 nan 8.290 nan 0.000 0.484 243 F N 2.477 122.510 119.950 0.139 0.000 2.146 243 F HA 0.208 4.735 4.527 -0.000 0.000 0.298 243 F C 0.763 176.768 175.800 0.343 0.000 1.096 243 F CA 1.752 59.894 58.000 0.236 0.000 1.275 243 F CB 0.019 39.206 39.000 0.312 0.000 1.008 243 F HN 0.700 nan 8.300 nan 0.000 0.480 244 F N -2.380 117.727 119.950 0.263 0.000 3.052 244 F HA 0.585 5.112 4.527 0.000 0.000 0.323 244 F C -1.466 174.450 175.800 0.192 0.000 1.178 244 F CA -2.325 55.749 58.000 0.124 0.000 0.892 244 F CB 1.543 40.539 39.000 -0.007 0.000 1.416 244 F HN -0.159 nan 8.300 nan 0.000 0.488 245 F N -0.268 119.397 119.950 -0.475 0.000 2.793 245 F HA 0.838 5.365 4.527 0.000 0.000 0.316 245 F C -1.928 173.685 175.800 -0.311 0.000 1.147 245 F CA -0.995 56.676 58.000 -0.548 0.000 0.930 245 F CB 0.755 39.594 39.000 -0.268 0.000 1.277 245 F HN 1.154 nan 8.300 nan 0.000 0.443 246 A N 2.481 125.185 122.820 -0.193 0.000 2.475 246 A HA 0.984 5.304 4.320 -0.000 0.000 0.301 246 A C -1.296 176.326 177.584 0.063 0.000 1.059 246 A CA -0.839 51.077 52.037 -0.203 0.000 0.710 246 A CB 2.026 20.850 19.000 -0.294 0.000 1.288 246 A HN 1.325 nan 8.150 nan 0.000 0.408 247 R N 0.934 121.468 120.500 0.058 0.000 2.584 247 R HA 0.749 5.089 4.340 -0.000 0.000 0.276 247 R C -1.730 174.610 176.300 0.066 0.000 1.046 247 R CA -0.807 55.359 56.100 0.110 0.000 0.906 247 R CB 1.652 32.064 30.300 0.186 0.000 1.215 247 R HN 0.480 nan 8.270 nan 0.000 0.449 248 K N 2.211 122.659 120.400 0.079 0.000 2.565 248 K HA 0.226 4.546 4.320 -0.000 0.000 0.249 248 K C -1.626 175.031 176.600 0.095 0.000 0.958 248 K CA -0.684 55.646 56.287 0.072 0.000 0.806 248 K CB 2.309 34.842 32.500 0.057 0.000 1.194 248 K HN 0.837 nan 8.250 nan 0.000 0.434 249 E N 3.218 123.477 120.200 0.098 0.000 2.343 249 E HA 0.249 4.599 4.350 -0.000 0.000 0.286 249 E C -1.388 175.273 176.600 0.103 0.000 0.915 249 E CA -0.874 55.593 56.400 0.111 0.000 0.784 249 E CB 1.887 31.673 29.700 0.143 0.000 1.251 249 E HN 0.384 nan 8.360 nan 0.000 0.407 250 Q N 1.339 121.199 119.800 0.100 0.000 2.377 250 Q HA 0.771 5.111 4.340 -0.000 0.000 0.271 250 Q C -1.372 174.712 176.000 0.140 0.000 1.077 250 Q CA -1.108 54.756 55.803 0.101 0.000 0.820 250 Q CB 3.056 31.837 28.738 0.073 0.000 1.347 250 Q HN 0.468 nan 8.270 nan 0.000 0.444 251 V N 1.911 121.932 119.914 0.178 0.000 3.282 251 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 251 V C -2.285 174.021 176.094 0.354 0.000 1.451 251 V CA -0.467 61.979 62.300 0.243 0.000 1.062 251 V CB 2.460 34.364 31.823 0.136 0.000 1.128 251 V HN 0.869 nan 8.190 nan 0.000 0.456 252 Y N 1.639 121.944 120.300 0.009 0.000 2.717 252 Y HA 0.682 5.232 4.550 -0.000 0.000 0.345 252 Y C -0.817 175.067 175.900 -0.027 0.000 1.187 252 Y CA -0.859 57.237 58.100 -0.006 0.000 1.128 252 Y CB 0.822 39.274 38.460 -0.013 0.000 1.360 252 Y HN 1.026 nan 8.280 nan 0.000 0.467 253 V N 0.749 120.529 119.914 -0.223 0.000 2.843 253 V HA 0.461 4.581 4.120 -0.000 0.000 0.305 253 V C 0.576 176.352 176.094 -0.530 0.000 1.065 253 V CA 0.385 62.489 62.300 -0.327 0.000 1.116 253 V CB 1.466 33.192 31.823 -0.163 0.000 0.968 253 V HN 1.109 nan 8.190 nan 0.000 0.487 254 R N 0.867 121.052 120.500 -0.525 0.000 2.507 254 R HA 0.338 4.678 4.340 -0.000 0.000 0.230 254 R C 0.260 176.200 176.300 -0.600 0.000 0.897 254 R CA -0.137 55.632 56.100 -0.553 0.000 1.006 254 R CB 0.520 30.468 30.300 -0.587 0.000 1.341 254 R HN 0.957 nan 8.270 nan 0.000 0.604 255 H N -0.901 117.976 119.070 -0.322 0.000 2.990 255 H HA 0.417 4.973 4.556 0.000 0.000 0.336 255 H C -1.195 173.802 175.328 -0.553 0.000 1.306 255 H CA -0.609 55.258 56.048 -0.301 0.000 1.118 255 H CB 1.718 31.355 29.762 -0.208 0.000 1.856 255 H HN -0.048 nan 8.280 nan 0.000 0.538 256 I N 1.227 121.624 120.570 -0.289 0.000 2.512 256 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 256 I C -0.915 175.085 176.117 -0.196 0.000 1.069 256 I CA -0.608 60.464 61.300 -0.380 0.000 1.056 256 I CB 1.806 39.714 38.000 -0.153 0.000 1.229 256 I HN 0.159 nan 8.210 nan 0.000 0.429 257 W N 3.146 124.166 121.300 -0.466 0.000 3.164 257 W HA 0.697 5.357 4.660 0.000 0.000 0.325 257 W C -0.115 176.187 176.519 -0.362 0.000 1.228 257 W CA -1.040 56.056 57.345 -0.414 0.000 1.024 257 W CB 1.173 30.391 29.460 -0.403 0.000 1.534 257 W HN 0.361 nan 8.180 nan 0.000 0.614 258 T N -0.458 114.194 114.554 0.164 0.000 2.921 258 T HA 0.540 4.890 4.350 -0.000 0.000 0.297 258 T C -0.000 174.802 174.700 0.171 0.000 1.013 258 T CA -0.951 61.204 62.100 0.092 0.000 0.990 258 T CB 2.154 71.038 68.868 0.026 0.000 1.023 258 T HN 0.103 nan 8.240 nan 0.000 0.447 259 R N 1.494 122.081 120.500 0.145 0.000 2.893 259 R HA 0.457 4.797 4.340 -0.000 0.000 0.279 259 R C 1.349 177.632 176.300 -0.028 0.000 1.076 259 R CA -0.052 56.072 56.100 0.040 0.000 1.203 259 R CB -0.199 30.070 30.300 -0.051 0.000 1.137 259 R HN 1.019 nan 8.270 nan 0.000 0.541 260 G N -0.792 107.964 108.800 -0.073 0.000 4.100 260 G HA2 0.256 4.216 3.960 -0.000 0.000 0.294 260 G HA3 0.256 4.216 3.960 -0.000 0.000 0.294 260 G C 0.243 175.097 174.900 -0.078 0.000 1.040 260 G CA 0.062 45.121 45.100 -0.069 0.000 0.829 260 G HN 0.603 nan 8.290 nan 0.000 0.505 261 G N 0.063 108.811 108.800 -0.088 0.000 2.425 261 G HA2 0.426 4.386 3.960 -0.000 0.000 0.302 261 G HA3 0.426 4.386 3.960 -0.000 0.000 0.302 261 G C 0.101 174.958 174.900 -0.071 0.000 1.159 261 G CA -0.134 44.917 45.100 -0.083 0.000 0.865 261 G HN 0.228 nan 8.290 nan 0.000 0.515 262 S N -0.216 115.447 115.700 -0.062 0.000 2.572 262 S HA 0.139 4.609 4.470 -0.000 0.000 0.279 262 S C 0.257 174.823 174.600 -0.056 0.000 1.341 262 S CA -0.148 58.020 58.200 -0.054 0.000 1.043 262 S CB 0.285 63.458 63.200 -0.046 0.000 0.887 262 S HN 0.501 nan 8.310 nan 0.000 0.516 263 E N 2.564 122.732 120.200 -0.053 0.000 2.175 263 E HA 0.246 4.596 4.350 -0.000 0.000 0.278 263 E C 0.083 176.659 176.600 -0.040 0.000 0.969 263 E CA -0.809 55.560 56.400 -0.051 0.000 0.796 263 E CB 1.028 30.695 29.700 -0.054 0.000 1.104 263 E HN 0.466 nan 8.360 nan 0.000 0.395 264 K N 1.774 122.151 120.400 -0.038 0.000 2.374 264 K HA 0.044 4.364 4.320 -0.000 0.000 0.196 264 K C -0.309 176.278 176.600 -0.022 0.000 1.023 264 K CA 0.402 56.672 56.287 -0.029 0.000 1.103 264 K CB 0.358 32.839 32.500 -0.031 0.000 0.848 264 K HN 0.616 nan 8.250 nan 0.000 0.528 265 E N -0.295 119.890 120.200 -0.024 0.000 2.466 265 E HA 0.510 4.860 4.350 -0.000 0.000 0.308 265 E C -1.289 175.305 176.600 -0.010 0.000 0.933 265 E CA -0.571 55.822 56.400 -0.012 0.000 0.800 265 E CB 1.190 30.882 29.700 -0.013 0.000 1.434 265 E HN -0.049 nan 8.360 nan 0.000 0.389 266 A N 3.764 126.585 122.820 0.002 0.000 2.269 266 A HA 0.779 5.099 4.320 -0.000 0.000 0.327 266 A C -2.189 175.427 177.584 0.053 0.000 1.112 266 A CA -1.522 50.517 52.037 0.003 0.000 0.865 266 A CB 0.192 19.182 19.000 -0.017 0.000 1.227 266 A HN 0.613 nan 8.150 nan 0.000 0.498 267 P HA 0.185 nan 4.420 nan 0.000 0.271 267 P C -0.099 177.347 177.300 0.243 0.000 1.226 267 P CA 0.188 63.403 63.100 0.192 0.000 0.765 267 P CB 0.247 32.053 31.700 0.177 0.000 0.835 268 T N 1.958 116.664 114.554 0.253 0.000 2.791 268 T HA 0.000 4.350 4.350 -0.000 0.000 0.323 268 T C 1.868 176.658 174.700 0.151 0.000 1.082 268 T CA 0.787 62.977 62.100 0.151 0.000 1.084 268 T CB -0.045 68.863 68.868 0.066 0.000 0.992 268 T HN 0.600 nan 8.240 nan 0.000 0.547 269 T N -0.628 113.979 114.554 0.089 0.000 2.996 269 T HA -0.164 4.186 4.350 -0.000 0.000 0.271 269 T C 1.357 176.038 174.700 -0.032 0.000 1.126 269 T CA 1.283 63.415 62.100 0.053 0.000 1.103 269 T CB -0.352 68.524 68.868 0.014 0.000 0.870 269 T HN 0.758 nan 8.240 nan 0.000 0.528 270 D N -0.342 119.989 120.400 -0.115 0.000 2.347 270 D HA -0.011 4.629 4.640 -0.000 0.000 0.215 270 D C 1.191 177.295 176.300 -0.328 0.000 0.976 270 D CA 0.271 54.113 54.000 -0.264 0.000 0.884 270 D CB -0.427 40.134 40.800 -0.398 0.000 0.915 270 D HN 0.492 nan 8.370 nan 0.000 0.526 271 F N -0.399 119.576 119.950 0.042 0.000 2.537 271 F HA 0.215 4.742 4.527 -0.000 0.000 0.277 271 F C 0.358 176.212 175.800 0.090 0.000 1.013 271 F CA -0.601 57.434 58.000 0.059 0.000 1.332 271 F CB -0.410 38.634 39.000 0.074 0.000 1.108 271 F HN -0.175 nan 8.300 nan 0.000 0.679 272 Y N 2.163 122.584 120.300 0.202 0.000 2.367 272 Y HA 0.546 5.096 4.550 -0.000 0.000 0.342 272 Y C -0.820 175.120 175.900 0.066 0.000 0.979 272 Y CA -1.991 56.178 58.100 0.115 0.000 1.161 272 Y CB 0.721 39.238 38.460 0.095 0.000 1.155 272 Y HN -0.042 nan 8.280 nan 0.000 0.503 273 L N 7.436 128.295 121.223 -0.608 0.000 2.260 273 L HA 0.376 4.716 4.340 -0.000 0.000 0.289 273 L C -0.046 176.271 176.870 -0.923 0.000 1.057 273 L CA -0.306 54.176 54.840 -0.596 0.000 0.811 273 L CB 0.317 42.230 42.059 -0.244 0.000 1.184 273 L HN 0.748 nan 8.230 nan 0.000 0.429 274 K N 4.287 124.222 120.400 -0.776 0.000 2.286 274 K HA 0.153 4.473 4.320 -0.000 0.000 0.256 274 K C -0.303 176.214 176.600 -0.139 0.000 0.999 274 K CA -0.135 55.918 56.287 -0.391 0.000 0.908 274 K CB 0.452 32.872 32.500 -0.132 0.000 0.981 274 K HN 0.939 nan 8.250 nan 0.000 0.500 275 N N 1.130 119.833 118.700 0.004 0.000 2.629 275 N HA 0.100 4.840 4.740 -0.000 0.000 0.279 275 N C -1.104 174.422 175.510 0.026 0.000 1.344 275 N CA -0.790 52.269 53.050 0.015 0.000 0.789 275 N CB 0.481 38.995 38.487 0.045 0.000 1.508 275 N HN 0.452 nan 8.380 nan 0.000 0.516 276 N N 0.745 119.455 118.700 0.018 0.000 2.412 276 N HA -0.091 4.649 4.740 -0.000 0.000 0.258 276 N C 0.561 176.086 175.510 0.025 0.000 1.236 276 N CA 0.774 53.834 53.050 0.017 0.000 0.882 276 N CB 0.260 38.754 38.487 0.012 0.000 1.066 276 N HN 0.799 nan 8.380 nan 0.000 0.465 277 K N -0.250 120.163 120.400 0.023 0.000 3.426 277 K HA -0.196 4.124 4.320 -0.000 0.000 0.315 277 K C 0.591 177.212 176.600 0.035 0.000 1.293 277 K CA 1.180 57.482 56.287 0.025 0.000 0.955 277 K CB -1.303 31.209 32.500 0.020 0.000 1.238 277 K HN 0.726 nan 8.250 nan 0.000 0.441 278 G N 0.125 108.955 108.800 0.050 0.000 2.508 278 G HA2 0.279 4.239 3.960 -0.000 0.000 0.278 278 G HA3 0.279 4.239 3.960 -0.000 0.000 0.278 278 G C -0.546 174.399 174.900 0.075 0.000 1.389 278 G CA -0.141 45.003 45.100 0.075 0.000 1.050 278 G HN 0.282 nan 8.290 nan 0.000 0.522 279 D N -0.828 119.630 120.400 0.098 0.000 2.248 279 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 279 D C 1.204 177.582 176.300 0.129 0.000 1.027 279 D CA 0.013 54.060 54.000 0.079 0.000 0.853 279 D CB 1.921 42.743 40.800 0.037 0.000 1.243 279 D HN 0.326 nan 8.370 nan 0.000 0.462 280 A N 2.031 124.908 122.820 0.096 0.000 1.892 280 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 280 A C 1.073 178.753 177.584 0.159 0.000 1.188 280 A CA 1.413 53.518 52.037 0.113 0.000 0.631 280 A CB -0.269 18.770 19.000 0.064 0.000 0.822 280 A HN 0.523 nan 8.150 nan 0.000 0.447 281 T N -0.557 114.051 114.554 0.089 0.000 2.912 281 T HA 0.570 4.920 4.350 -0.000 0.000 0.288 281 T C -0.326 174.338 174.700 -0.060 0.000 1.030 281 T CA -0.554 61.575 62.100 0.048 0.000 1.020 281 T CB 1.472 70.355 68.868 0.024 0.000 1.056 281 T HN 0.227 nan 8.240 nan 0.000 0.480 282 L N 2.542 123.660 121.223 -0.176 0.000 2.380 282 L HA 0.322 4.662 4.340 -0.000 0.000 0.273 282 L C 1.292 178.080 176.870 -0.138 0.000 1.138 282 L CA 0.027 54.703 54.840 -0.274 0.000 0.832 282 L CB 0.768 42.593 42.059 -0.389 0.000 1.124 282 L HN 0.700 nan 8.230 nan 0.000 0.454 283 K N 2.602 122.932 120.400 -0.116 0.000 2.387 283 K HA 0.287 4.607 4.320 -0.000 0.000 0.197 283 K C 0.191 176.749 176.600 -0.071 0.000 1.127 283 K CA -0.127 56.115 56.287 -0.075 0.000 0.950 283 K CB 0.623 33.090 32.500 -0.054 0.000 1.017 283 K HN 0.360 nan 8.250 nan 0.000 0.519 284 I N 5.185 125.709 120.570 -0.076 0.000 2.533 284 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 284 I C -2.065 174.009 176.117 -0.072 0.000 1.109 284 I CA -2.388 58.874 61.300 -0.063 0.000 1.412 284 I CB 0.190 38.160 38.000 -0.050 0.000 1.396 284 I HN -0.001 nan 8.210 nan 0.000 0.543 285 P HA -0.008 nan 4.420 nan 0.000 0.266 285 P C -0.338 176.889 177.300 -0.123 0.000 1.193 285 P CA -0.078 62.967 63.100 -0.092 0.000 0.770 285 P CB 0.481 32.126 31.700 -0.091 0.000 0.836 286 S N 1.044 116.657 115.700 -0.146 0.000 2.060 286 S HA 0.399 4.869 4.470 -0.000 0.000 0.156 286 S C -0.403 173.980 174.600 -0.361 0.000 1.690 286 S CA -0.684 57.384 58.200 -0.220 0.000 1.238 286 S CB -0.391 62.787 63.200 -0.037 0.000 1.150 286 S HN 0.177 nan 8.310 nan 0.000 0.437 287 V N 3.801 123.432 119.914 -0.472 0.000 2.409 287 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 287 V C -0.612 175.174 176.094 -0.513 0.000 1.020 287 V CA -0.571 61.522 62.300 -0.345 0.000 0.848 287 V CB 1.093 32.835 31.823 -0.134 0.000 0.990 287 V HN 0.739 nan 8.190 nan 0.000 0.430 288 H N 5.867 124.945 119.070 0.013 0.000 2.697 288 H HA 0.338 4.894 4.556 -0.000 0.000 0.270 288 H C -0.582 174.704 175.328 -0.070 0.000 1.188 288 H CA -0.305 55.711 56.048 -0.053 0.000 1.322 288 H CB 0.805 30.526 29.762 -0.069 0.000 1.405 288 H HN 0.642 nan 8.280 nan 0.000 0.502 289 F N 0.222 120.166 119.950 -0.009 0.000 2.422 289 F HA 0.719 5.246 4.527 -0.000 0.000 0.333 289 F C 0.443 176.171 175.800 -0.121 0.000 1.095 289 F CA -1.195 56.757 58.000 -0.081 0.000 1.038 289 F CB 1.092 39.991 39.000 -0.168 0.000 1.156 289 F HN 0.288 nan 8.300 nan 0.000 0.483 290 G N 1.086 109.748 108.800 -0.231 0.000 2.477 290 G HA2 0.460 4.420 3.960 -0.000 0.000 0.304 290 G HA3 0.460 4.420 3.960 -0.000 0.000 0.304 290 G C -0.988 173.751 174.900 -0.269 0.000 1.175 290 G CA -0.676 44.187 45.100 -0.396 0.000 0.907 290 G HN 1.014 nan 8.290 nan 0.000 0.509 291 S N 1.532 116.912 115.700 -0.534 0.000 2.499 291 S HA 0.551 5.021 4.470 -0.000 0.000 0.279 291 S C -2.316 172.180 174.600 -0.174 0.000 1.219 291 S CA -1.275 56.725 58.200 -0.334 0.000 1.062 291 S CB 1.819 64.615 63.200 -0.672 0.000 0.978 291 S HN 0.463 nan 8.310 nan 0.000 0.489 292 P HA 0.197 nan 4.420 nan 0.000 0.271 292 P C -0.620 176.594 177.300 -0.143 0.000 1.216 292 P CA -0.189 62.882 63.100 -0.047 0.000 0.771 292 P CB 1.036 32.752 31.700 0.026 0.000 0.864 293 S N 1.887 117.437 115.700 -0.250 0.000 2.502 293 S HA 0.640 5.110 4.470 -0.000 0.000 0.304 293 S C -0.022 174.590 174.600 0.020 0.000 1.097 293 S CA -0.673 57.355 58.200 -0.287 0.000 1.045 293 S CB 0.517 63.097 63.200 -1.034 0.000 1.019 293 S HN 0.532 nan 8.310 nan 0.000 0.481 294 G N 2.483 111.340 108.800 0.095 0.000 2.353 294 G HA2 0.438 4.398 3.960 -0.000 0.000 0.284 294 G HA3 0.438 4.398 3.960 -0.000 0.000 0.284 294 G C 0.026 175.051 174.900 0.210 0.000 1.172 294 G CA -0.382 44.803 45.100 0.142 0.000 0.854 294 G HN 0.724 nan 8.290 nan 0.000 0.485 295 S N 0.849 116.657 115.700 0.181 0.000 2.593 295 S HA 0.301 4.771 4.470 -0.000 0.000 0.269 295 S C 0.721 175.362 174.600 0.069 0.000 1.334 295 S CA -0.823 57.439 58.200 0.102 0.000 1.015 295 S CB 0.051 63.275 63.200 0.039 0.000 0.912 295 S HN 0.857 nan 8.310 nan 0.000 0.541 296 L N 3.440 124.684 121.223 0.035 0.000 2.525 296 L HA 0.520 4.860 4.340 -0.000 0.000 0.278 296 L C 0.170 177.060 176.870 0.033 0.000 1.218 296 L CA -0.019 54.841 54.840 0.033 0.000 0.878 296 L CB -0.540 41.528 42.059 0.015 0.000 1.127 296 L HN 0.313 nan 8.230 nan 0.000 0.492 297 V N 3.520 123.457 119.914 0.039 0.000 2.612 297 V HA 0.840 4.960 4.120 -0.000 0.000 0.301 297 V C 0.383 176.498 176.094 0.035 0.000 1.046 297 V CA 0.450 62.775 62.300 0.042 0.000 0.946 297 V CB 1.771 33.623 31.823 0.048 0.000 1.003 297 V HN 1.343 nan 8.190 nan 0.000 0.459 298 S N 2.720 118.442 115.700 0.037 0.000 2.751 298 S HA 0.434 4.904 4.470 -0.000 0.000 0.310 298 S C 0.780 175.402 174.600 0.036 0.000 1.128 298 S CA 0.106 58.324 58.200 0.031 0.000 0.931 298 S CB 1.528 64.743 63.200 0.024 0.000 1.177 298 S HN 0.954 nan 8.310 nan 0.000 0.530 299 T N -1.267 113.304 114.554 0.028 0.000 3.088 299 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 299 T C 0.961 175.680 174.700 0.031 0.000 1.122 299 T CA 1.014 63.131 62.100 0.028 0.000 1.095 299 T CB -0.556 68.323 68.868 0.018 0.000 0.930 299 T HN 0.801 nan 8.240 nan 0.000 0.508 300 D N 0.302 120.719 120.400 0.029 0.000 2.431 300 D HA 0.002 4.642 4.640 -0.000 0.000 0.227 300 D C 1.746 178.066 176.300 0.034 0.000 1.030 300 D CA -0.073 53.943 54.000 0.026 0.000 0.897 300 D CB -0.469 40.341 40.800 0.017 0.000 1.058 300 D HN 0.156 nan 8.370 nan 0.000 0.500 301 N N 1.310 120.034 118.700 0.040 0.000 2.188 301 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 301 N C 0.583 176.135 175.510 0.069 0.000 1.018 301 N CA 0.434 53.513 53.050 0.047 0.000 0.858 301 N CB 0.096 38.611 38.487 0.047 0.000 0.989 301 N HN 0.526 nan 8.380 nan 0.000 0.426 302 Q N 1.615 121.474 119.800 0.099 0.000 2.300 302 Q HA 0.042 4.382 4.340 -0.000 0.000 0.280 302 Q C 0.340 176.425 176.000 0.141 0.000 1.033 302 Q CA 0.127 56.035 55.803 0.175 0.000 0.903 302 Q CB 0.046 28.917 28.738 0.221 0.000 1.195 302 Q HN 0.332 nan 8.270 nan 0.000 0.386 303 I N 0.291 120.887 120.570 0.043 0.000 2.206 303 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 303 I C -1.340 174.375 176.117 -0.670 0.000 1.156 303 I CA -0.375 60.796 61.300 -0.215 0.000 1.356 303 I CB -0.683 37.168 38.000 -0.248 0.000 1.494 303 I HN 0.453 nan 8.210 nan 0.000 0.601 304 F N 2.177 122.155 119.950 0.047 0.000 2.741 304 F HA 0.353 4.880 4.527 0.000 0.000 0.313 304 F C 0.704 176.467 175.800 -0.063 0.000 1.153 304 F CA -0.993 57.014 58.000 0.011 0.000 0.931 304 F CB 1.188 40.210 39.000 0.037 0.000 1.335 304 F HN 0.439 nan 8.300 nan 0.000 0.460 305 N N -0.727 118.058 118.700 0.143 0.000 2.863 305 N HA -0.235 4.505 4.740 -0.000 0.000 0.245 305 N C -0.657 174.785 175.510 -0.113 0.000 1.001 305 N CA 0.556 53.611 53.050 0.009 0.000 0.901 305 N CB -0.883 37.623 38.487 0.031 0.000 1.124 305 N HN 0.444 nan 8.380 nan 0.000 0.582 306 R N 1.438 121.796 120.500 -0.237 0.000 2.247 306 R HA 0.287 4.627 4.340 -0.000 0.000 0.329 306 R C -2.511 173.348 176.300 -0.734 0.000 1.014 306 R CA -1.623 54.227 56.100 -0.418 0.000 0.907 306 R CB 0.712 30.747 30.300 -0.442 0.000 1.146 306 R HN 0.058 nan 8.270 nan 0.000 0.499 307 P HA -0.151 nan 4.420 nan 0.000 0.261 307 P C -1.042 175.556 177.300 -1.170 0.000 1.183 307 P CA 0.575 63.160 63.100 -0.858 0.000 0.761 307 P CB 0.392 31.617 31.700 -0.791 0.000 0.785 308 Y N 2.182 122.026 120.300 -0.760 0.000 2.385 308 Y HA 0.231 4.781 4.550 -0.000 0.000 0.341 308 Y C 0.404 175.871 175.900 -0.721 0.000 0.965 308 Y CA -0.705 57.010 58.100 -0.643 0.000 1.180 308 Y CB 0.675 38.849 38.460 -0.475 0.000 1.139 308 Y HN 0.377 nan 8.280 nan 0.000 0.502 309 W N 6.112 127.420 121.300 0.013 0.000 2.358 309 W HA 0.359 5.019 4.660 0.000 0.000 0.307 309 W C -0.650 175.810 176.519 -0.098 0.000 1.203 309 W CA -0.847 56.474 57.345 -0.040 0.000 1.279 309 W CB 0.617 30.199 29.460 0.203 0.000 1.264 309 W HN 0.294 nan 8.180 nan 0.000 0.474 310 L N 5.024 126.196 121.223 -0.085 0.000 2.268 310 L HA 0.314 4.654 4.340 -0.000 0.000 0.289 310 L C -0.316 176.458 176.870 -0.160 0.000 1.064 310 L CA 0.179 54.923 54.840 -0.159 0.000 0.824 310 L CB -0.098 41.808 42.059 -0.254 0.000 1.202 310 L HN 0.475 nan 8.230 nan 0.000 0.433 311 F N 3.394 123.361 119.950 0.028 0.000 2.622 311 F HA 0.371 4.898 4.527 -0.000 0.000 0.288 311 F C 0.726 176.547 175.800 0.035 0.000 1.120 311 F CA -0.046 57.977 58.000 0.038 0.000 1.423 311 F CB 0.255 39.272 39.000 0.028 0.000 1.127 311 F HN 0.302 nan 8.300 nan 0.000 0.588 312 R N -0.013 120.602 120.500 0.193 0.000 2.515 312 R HA 0.577 4.917 4.340 -0.000 0.000 0.278 312 R C -0.501 175.876 176.300 0.129 0.000 1.107 312 R CA -0.539 55.642 56.100 0.134 0.000 0.945 312 R CB 1.179 31.551 30.300 0.120 0.000 1.219 312 R HN 0.019 nan 8.270 nan 0.000 0.434 313 A N 1.834 124.736 122.820 0.137 0.000 2.251 313 A HA 0.196 4.516 4.320 -0.000 0.000 0.278 313 A C 0.771 178.434 177.584 0.131 0.000 1.206 313 A CA -0.166 51.977 52.037 0.175 0.000 0.822 313 A CB 0.358 19.488 19.000 0.216 0.000 1.187 313 A HN 0.723 nan 8.150 nan 0.000 0.504 314 Q N -0.776 119.102 119.800 0.132 0.000 2.204 314 Q HA 0.441 4.781 4.340 -0.000 0.000 0.209 314 Q C 0.342 176.388 176.000 0.077 0.000 0.861 314 Q CA 0.203 56.066 55.803 0.101 0.000 0.971 314 Q CB 0.130 28.941 28.738 0.121 0.000 1.095 314 Q HN 0.777 nan 8.270 nan 0.000 0.486 315 G N 0.124 108.965 108.800 0.069 0.000 2.788 315 G HA2 0.429 4.389 3.960 -0.000 0.000 0.293 315 G HA3 0.429 4.389 3.960 -0.000 0.000 0.293 315 G C -0.484 174.451 174.900 0.058 0.000 1.392 315 G CA -0.909 44.222 45.100 0.051 0.000 0.810 315 G HN 0.065 nan 8.290 nan 0.000 0.508 316 M N 0.680 120.320 119.600 0.065 0.000 2.628 316 M HA 0.215 4.695 4.480 -0.000 0.000 0.232 316 M C 0.806 177.154 176.300 0.081 0.000 1.128 316 M CA -0.071 55.272 55.300 0.072 0.000 1.040 316 M CB -0.395 32.262 32.600 0.095 0.000 1.608 316 M HN 0.523 nan 8.290 nan 0.000 0.507 317 N N 1.261 120.008 118.700 0.079 0.000 2.800 317 N HA 0.123 4.863 4.740 -0.000 0.000 0.240 317 N C -0.711 174.860 175.510 0.101 0.000 1.096 317 N CA -0.176 52.922 53.050 0.079 0.000 0.877 317 N CB 0.344 38.873 38.487 0.069 0.000 1.138 317 N HN 0.388 nan 8.380 nan 0.000 0.509 318 N N 2.570 121.323 118.700 0.088 0.000 3.027 318 N HA 0.103 4.843 4.740 -0.000 0.000 0.309 318 N C 0.438 176.040 175.510 0.154 0.000 1.222 318 N CA -0.230 52.896 53.050 0.125 0.000 1.187 318 N CB 0.108 38.634 38.487 0.065 0.000 1.458 318 N HN 0.568 nan 8.380 nan 0.000 0.535 319 G N 1.277 110.318 108.800 0.402 0.000 2.289 319 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.280 319 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.280 319 G C -0.296 174.644 174.900 0.067 0.000 1.089 319 G CA -0.521 44.753 45.100 0.290 0.000 0.939 319 G HN 0.501 nan 8.290 nan 0.000 0.499 320 I N 0.842 121.453 120.570 0.069 0.000 2.312 320 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 320 I C 1.046 176.993 176.117 -0.283 0.000 1.008 320 I CA -1.074 60.017 61.300 -0.349 0.000 1.226 320 I CB 1.035 38.468 38.000 -0.945 0.000 1.371 320 I HN 0.453 nan 8.210 nan 0.000 0.468 321 A N 7.840 130.572 122.820 -0.147 0.000 2.981 321 A HA 0.118 4.438 4.320 -0.000 0.000 0.280 321 A C -0.122 177.489 177.584 0.046 0.000 1.743 321 A CA -0.455 51.596 52.037 0.022 0.000 1.430 321 A CB -0.786 18.256 19.000 0.070 0.000 1.085 321 A HN 0.720 nan 8.150 nan 0.000 0.597 322 W N 1.275 122.606 121.300 0.051 0.000 2.210 322 W HA 0.168 4.828 4.660 -0.000 0.000 0.330 322 W C 0.819 177.293 176.519 -0.074 0.000 1.334 322 W CA -0.378 56.921 57.345 -0.077 0.000 1.227 322 W CB 0.335 29.769 29.460 -0.045 0.000 1.178 322 W HN 0.785 nan 8.180 nan 0.000 0.560 323 N N 1.791 120.557 118.700 0.111 0.000 2.850 323 N HA -0.284 4.456 4.740 -0.000 0.000 0.249 323 N C -0.536 175.012 175.510 0.063 0.000 1.060 323 N CA 1.446 54.521 53.050 0.042 0.000 0.825 323 N CB -1.862 36.697 38.487 0.120 0.000 1.132 323 N HN 0.759 nan 8.380 nan 0.000 0.564 324 N N -1.030 117.704 118.700 0.057 0.000 2.686 324 N HA -0.241 4.500 4.740 -0.000 0.000 0.261 324 N C -1.138 174.421 175.510 0.082 0.000 1.001 324 N CA 0.766 53.868 53.050 0.086 0.000 0.764 324 N CB -0.445 38.082 38.487 0.066 0.000 0.898 324 N HN 0.295 nan 8.380 nan 0.000 0.544 325 L N 0.672 121.951 121.223 0.094 0.000 2.506 325 L HA 0.642 4.982 4.340 -0.000 0.000 0.257 325 L C -1.309 175.617 176.870 0.094 0.000 0.964 325 L CA -0.546 54.332 54.840 0.064 0.000 0.836 325 L CB 2.091 44.224 42.059 0.124 0.000 1.384 325 L HN 0.097 nan 8.230 nan 0.000 0.410 326 L N 2.664 123.874 121.223 -0.022 0.000 2.371 326 L HA 0.582 4.922 4.340 -0.000 0.000 0.262 326 L C -1.567 175.272 176.870 -0.051 0.000 1.006 326 L CA -0.552 54.316 54.840 0.046 0.000 0.818 326 L CB 2.436 44.406 42.059 -0.149 0.000 1.354 326 L HN 0.418 nan 8.230 nan 0.000 0.415 327 F N 2.639 122.608 119.950 0.032 0.000 2.499 327 F HA 0.440 4.967 4.527 -0.000 0.000 0.333 327 F C -0.570 175.237 175.800 0.012 0.000 1.138 327 F CA -0.461 57.507 58.000 -0.054 0.000 0.945 327 F CB 1.843 40.754 39.000 -0.149 0.000 1.181 327 F HN 0.075 nan 8.300 nan 0.000 0.435 328 L N 3.935 125.218 121.223 0.100 0.000 2.294 328 L HA 0.552 4.892 4.340 -0.000 0.000 0.283 328 L C -0.319 176.541 176.870 -0.016 0.000 1.015 328 L CA -0.114 54.810 54.840 0.141 0.000 0.831 328 L CB 1.198 43.442 42.059 0.308 0.000 1.217 328 L HN 0.497 nan 8.230 nan 0.000 0.420 329 T N 4.614 119.155 114.554 -0.022 0.000 2.853 329 T HA 0.530 4.880 4.350 -0.000 0.000 0.317 329 T C -0.398 174.293 174.700 -0.015 0.000 1.059 329 T CA -0.334 61.718 62.100 -0.081 0.000 0.954 329 T CB 0.589 69.404 68.868 -0.088 0.000 0.994 329 T HN 0.254 nan 8.240 nan 0.000 0.479 330 V N 2.746 122.620 119.914 -0.066 0.000 2.444 330 V HA 0.849 4.969 4.120 -0.000 0.000 0.294 330 V C 0.414 176.536 176.094 0.046 0.000 1.022 330 V CA -0.672 61.673 62.300 0.075 0.000 0.850 330 V CB 1.844 33.778 31.823 0.186 0.000 0.992 330 V HN 0.957 nan 8.190 nan 0.000 0.426 331 G N 3.706 112.577 108.800 0.117 0.000 2.701 331 G HA2 0.774 4.734 3.960 -0.000 0.000 0.300 331 G HA3 0.774 4.734 3.960 -0.000 0.000 0.300 331 G C -1.734 173.207 174.900 0.069 0.000 1.410 331 G CA -0.416 44.680 45.100 -0.006 0.000 1.014 331 G HN 0.735 nan 8.290 nan 0.000 0.509 332 D N 0.914 121.341 120.400 0.044 0.000 2.836 332 D HA 0.075 4.715 4.640 -0.000 0.000 0.215 332 D C -0.460 175.845 176.300 0.008 0.000 1.255 332 D CA -0.739 53.304 54.000 0.071 0.000 0.822 332 D CB 1.525 42.438 40.800 0.189 0.000 1.656 332 D HN 0.368 nan 8.370 nan 0.000 0.511 333 N N 0.800 119.501 118.700 0.002 0.000 2.270 333 N HA -0.016 4.724 4.740 -0.000 0.000 0.198 333 N C 0.790 176.307 175.510 0.011 0.000 1.117 333 N CA -0.031 53.010 53.050 -0.016 0.000 0.845 333 N CB 0.217 38.681 38.487 -0.037 0.000 0.980 333 N HN 0.304 nan 8.380 nan 0.000 0.486 334 T N 1.046 115.620 114.554 0.032 0.000 2.668 334 T HA -0.026 4.324 4.350 -0.000 0.000 0.262 334 T C 1.746 176.456 174.700 0.016 0.000 1.045 334 T CA 0.966 63.090 62.100 0.040 0.000 1.152 334 T CB 0.087 69.001 68.868 0.076 0.000 0.864 334 T HN 0.131 nan 8.240 nan 0.000 0.419 335 R N 1.248 121.736 120.500 -0.020 0.000 2.083 335 R HA 0.034 4.374 4.340 -0.000 0.000 0.237 335 R C 1.710 178.009 176.300 -0.002 0.000 1.137 335 R CA 0.594 56.667 56.100 -0.045 0.000 0.951 335 R CB -1.463 28.759 30.300 -0.130 0.000 0.851 335 R HN 0.446 nan 8.270 nan 0.000 0.434 336 G N 0.762 109.595 108.800 0.055 0.000 2.305 336 G HA2 0.149 4.109 3.960 -0.000 0.000 0.243 336 G HA3 0.149 4.109 3.960 -0.000 0.000 0.243 336 G C -0.679 174.346 174.900 0.209 0.000 1.288 336 G CA 0.276 45.507 45.100 0.218 0.000 0.901 336 G HN 0.120 nan 8.290 nan 0.000 0.516 337 T N 2.315 117.034 114.554 0.275 0.000 2.993 337 T HA 0.247 4.597 4.350 -0.000 0.000 0.312 337 T C 0.050 174.900 174.700 0.251 0.000 1.115 337 T CA -0.659 61.545 62.100 0.173 0.000 1.027 337 T CB 1.139 70.054 68.868 0.079 0.000 1.116 337 T HN 0.637 nan 8.240 nan 0.000 0.464 338 N N 1.244 120.097 118.700 0.256 0.000 2.467 338 N HA 0.492 5.232 4.740 -0.000 0.000 0.262 338 N C -1.039 174.598 175.510 0.212 0.000 1.234 338 N CA -0.747 52.484 53.050 0.302 0.000 0.952 338 N CB 0.673 39.327 38.487 0.277 0.000 1.158 338 N HN 0.193 nan 8.380 nan 0.000 0.463 339 L N 1.312 122.669 121.223 0.223 0.000 2.349 339 L HA 0.338 4.678 4.340 -0.000 0.000 0.278 339 L C -0.057 176.943 176.870 0.218 0.000 0.996 339 L CA -0.396 54.542 54.840 0.164 0.000 0.825 339 L CB 1.053 43.168 42.059 0.093 0.000 1.243 339 L HN 0.656 nan 8.230 nan 0.000 0.412 340 T N 3.090 117.727 114.554 0.139 0.000 2.902 340 T HA 0.827 5.177 4.350 -0.000 0.000 0.280 340 T C 0.148 174.914 174.700 0.111 0.000 0.992 340 T CA -0.574 61.583 62.100 0.095 0.000 1.015 340 T CB 1.275 70.162 68.868 0.031 0.000 1.044 340 T HN 0.491 nan 8.240 nan 0.000 0.520 341 I N 0.312 120.956 120.570 0.123 0.000 3.181 341 I HA 0.533 4.703 4.170 -0.000 0.000 0.311 341 I C -0.943 175.233 176.117 0.098 0.000 1.287 341 I CA -1.197 60.179 61.300 0.128 0.000 0.958 341 I CB 2.736 40.857 38.000 0.201 0.000 1.294 341 I HN 0.927 nan 8.210 nan 0.000 0.467 342 S N 1.830 117.574 115.700 0.073 0.000 2.609 342 S HA 0.613 5.083 4.470 -0.000 0.000 0.250 342 S C -1.136 173.488 174.600 0.039 0.000 1.112 342 S CA -0.669 57.570 58.200 0.065 0.000 1.102 342 S CB 0.833 64.098 63.200 0.108 0.000 1.124 342 S HN 0.300 nan 8.310 nan 0.000 0.460 343 V N 2.252 122.149 119.914 -0.028 0.000 2.532 343 V HA 0.857 4.977 4.120 -0.000 0.000 0.295 343 V C 0.955 177.051 176.094 0.004 0.000 1.041 343 V CA -0.654 61.642 62.300 -0.006 0.000 0.926 343 V CB 1.382 33.197 31.823 -0.013 0.000 0.992 343 V HN 1.139 nan 8.190 nan 0.000 0.457 344 A N 2.610 125.448 122.820 0.030 0.000 2.440 344 A HA 0.387 4.707 4.320 -0.000 0.000 0.251 344 A C 1.343 178.931 177.584 0.008 0.000 1.089 344 A CA 0.327 52.386 52.037 0.038 0.000 0.779 344 A CB 0.275 19.297 19.000 0.036 0.000 1.022 344 A HN 1.303 nan 8.150 nan 0.000 0.492 345 S N 0.590 116.287 115.700 -0.005 0.000 2.595 345 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 345 S C 0.203 174.799 174.600 -0.006 0.000 0.974 345 S CA 1.447 59.633 58.200 -0.023 0.000 0.942 345 S CB -0.125 63.047 63.200 -0.047 0.000 0.766 345 S HN 0.689 nan 8.310 nan 0.000 0.536 346 D N -0.282 120.120 120.400 0.004 0.000 2.502 346 D HA 0.329 4.969 4.640 -0.000 0.000 0.232 346 D C 1.385 177.693 176.300 0.014 0.000 1.137 346 D CA 0.773 54.777 54.000 0.008 0.000 0.827 346 D CB 0.718 41.521 40.800 0.006 0.000 1.141 346 D HN 0.441 nan 8.370 nan 0.000 0.517 347 G N 0.129 108.940 108.800 0.018 0.000 2.194 347 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.236 347 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.236 347 G C 0.457 175.369 174.900 0.020 0.000 0.987 347 G CA 0.368 45.482 45.100 0.022 0.000 0.635 347 G HN 0.271 nan 8.290 nan 0.000 0.520 348 T N 3.565 118.131 114.554 0.018 0.000 2.807 348 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 348 T C -2.192 172.520 174.700 0.020 0.000 0.993 348 T CA -0.737 61.374 62.100 0.017 0.000 0.970 348 T CB 2.586 71.462 68.868 0.014 0.000 0.950 348 T HN 0.221 nan 8.240 nan 0.000 0.441 349 P HA 0.043 nan 4.420 nan 0.000 0.263 349 P C -0.480 176.833 177.300 0.022 0.000 1.175 349 P CA -0.135 62.977 63.100 0.019 0.000 0.761 349 P CB 0.465 32.174 31.700 0.014 0.000 0.794 350 L N 2.825 124.066 121.223 0.030 0.000 2.462 350 L HA 0.050 4.390 4.340 -0.000 0.000 0.272 350 L C 1.802 178.693 176.870 0.035 0.000 1.166 350 L CA -0.053 54.809 54.840 0.036 0.000 0.880 350 L CB -0.363 41.729 42.059 0.055 0.000 1.142 350 L HN 0.392 nan 8.230 nan 0.000 0.473 351 T N 0.861 115.433 114.554 0.030 0.000 3.014 351 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 351 T C 0.618 175.342 174.700 0.040 0.000 1.078 351 T CA 0.916 63.033 62.100 0.029 0.000 1.135 351 T CB 0.070 68.951 68.868 0.021 0.000 0.895 351 T HN 0.608 nan 8.240 nan 0.000 0.480 352 E N -0.516 119.714 120.200 0.050 0.000 2.359 352 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 352 E C -1.799 174.868 176.600 0.112 0.000 0.920 352 E CA -0.996 55.447 56.400 0.073 0.000 0.788 352 E CB 1.292 31.022 29.700 0.050 0.000 1.279 352 E HN 0.166 nan 8.360 nan 0.000 0.438 353 Y N 2.554 122.866 120.300 0.020 0.000 2.477 353 Y HA 0.281 4.831 4.550 -0.000 0.000 0.349 353 Y C -1.085 174.867 175.900 0.086 0.000 0.977 353 Y CA -0.288 57.835 58.100 0.038 0.000 1.214 353 Y CB 0.437 38.901 38.460 0.007 0.000 1.124 353 Y HN 0.375 nan 8.280 nan 0.000 0.521 354 D N 2.432 122.568 120.400 -0.440 0.000 2.299 354 D HA 0.188 4.828 4.640 -0.000 0.000 0.243 354 D C 0.477 176.511 176.300 -0.442 0.000 0.982 354 D CA -0.214 53.574 54.000 -0.354 0.000 0.924 354 D CB 2.186 42.895 40.800 -0.151 0.000 1.238 354 D HN 0.606 nan 8.370 nan 0.000 0.484 355 S N -0.844 114.669 115.700 -0.311 0.000 2.527 355 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 355 S C 1.597 175.959 174.600 -0.395 0.000 0.985 355 S CA 0.274 58.294 58.200 -0.300 0.000 0.921 355 S CB -0.020 63.086 63.200 -0.157 0.000 0.772 355 S HN 0.470 nan 8.310 nan 0.000 0.529 356 S N 1.286 116.820 115.700 -0.278 0.000 2.483 356 S HA 0.220 4.690 4.470 -0.000 0.000 0.221 356 S C 1.659 176.129 174.600 -0.218 0.000 1.030 356 S CA -0.365 57.690 58.200 -0.240 0.000 0.925 356 S CB -0.090 63.023 63.200 -0.145 0.000 0.795 356 S HN 0.141 nan 8.310 nan 0.000 0.511 357 K N 2.004 122.318 120.400 -0.144 0.000 2.057 357 K HA 0.075 4.395 4.320 -0.000 0.000 0.206 357 K C 0.602 177.211 176.600 0.015 0.000 1.050 357 K CA 0.659 56.923 56.287 -0.037 0.000 0.935 357 K CB -0.696 31.823 32.500 0.031 0.000 0.715 357 K HN 0.741 nan 8.250 nan 0.000 0.439 358 F N 1.366 121.246 119.950 -0.116 0.000 2.411 358 F HA 0.368 4.895 4.527 -0.000 0.000 0.355 358 F C -0.468 175.251 175.800 -0.135 0.000 1.117 358 F CA -1.202 56.737 58.000 -0.102 0.000 1.139 358 F CB 0.151 39.120 39.000 -0.052 0.000 1.120 358 F HN -0.187 nan 8.300 nan 0.000 0.493 359 N N 3.307 121.913 118.700 -0.157 0.000 2.419 359 N HA 0.355 5.095 4.740 -0.000 0.000 0.264 359 N C -1.122 174.175 175.510 -0.355 0.000 1.031 359 N CA -0.844 52.008 53.050 -0.331 0.000 0.951 359 N CB 1.973 40.189 38.487 -0.451 0.000 1.101 359 N HN 0.453 nan 8.380 nan 0.000 0.488 360 V N 3.591 123.367 119.914 -0.231 0.000 2.455 360 V HA 0.109 4.229 4.120 -0.000 0.000 0.273 360 V C -0.204 175.884 176.094 -0.011 0.000 1.045 360 V CA 0.038 62.288 62.300 -0.083 0.000 0.976 360 V CB -0.532 31.283 31.823 -0.013 0.000 0.993 360 V HN 0.607 nan 8.190 nan 0.000 0.475 361 Y N 3.275 123.619 120.300 0.073 0.000 2.568 361 Y HA 0.540 5.090 4.550 -0.000 0.000 0.327 361 Y C 0.234 176.246 175.900 0.187 0.000 1.163 361 Y CA -1.059 57.109 58.100 0.114 0.000 1.219 361 Y CB 2.051 40.572 38.460 0.102 0.000 1.308 361 Y HN 0.555 nan 8.280 nan 0.000 0.503 362 H N 1.992 121.254 119.070 0.320 0.000 3.108 362 H HA 0.391 4.947 4.556 -0.000 0.000 0.329 362 H C -1.229 174.221 175.328 0.202 0.000 0.978 362 H CA -1.039 55.166 56.048 0.262 0.000 1.413 362 H CB 0.620 30.584 29.762 0.336 0.000 1.670 362 H HN 0.475 nan 8.280 nan 0.000 0.512 363 R N 2.588 123.267 120.500 0.299 0.000 2.686 363 R HA 0.266 4.606 4.340 -0.000 0.000 0.283 363 R C -1.376 175.010 176.300 0.143 0.000 0.978 363 R CA -0.897 55.295 56.100 0.154 0.000 0.897 363 R CB 1.710 32.077 30.300 0.111 0.000 1.192 363 R HN 0.686 nan 8.270 nan 0.000 0.457 364 H N 1.393 120.451 119.070 -0.020 0.000 2.637 364 H HA 0.669 5.225 4.556 -0.000 0.000 0.363 364 H C -1.060 174.258 175.328 -0.017 0.000 1.131 364 H CA -0.565 55.461 56.048 -0.036 0.000 1.183 364 H CB 1.412 31.108 29.762 -0.109 0.000 1.637 364 H HN 0.447 nan 8.280 nan 0.000 0.531 365 M N 3.382 122.702 119.600 -0.466 0.000 2.326 365 M HA 0.377 4.857 4.480 -0.000 0.000 0.292 365 M C -1.296 174.856 176.300 -0.246 0.000 1.081 365 M CA -0.780 54.398 55.300 -0.204 0.000 0.919 365 M CB 2.554 35.085 32.600 -0.116 0.000 1.634 365 M HN 0.416 nan 8.290 nan 0.000 0.451 366 E N 2.279 122.458 120.200 -0.035 0.000 2.199 366 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 366 E C -1.416 175.151 176.600 -0.055 0.000 0.899 366 E CA -0.498 55.873 56.400 -0.049 0.000 0.772 366 E CB 2.924 32.704 29.700 0.134 0.000 1.155 366 E HN 0.709 nan 8.360 nan 0.000 0.408 367 E N 2.717 122.741 120.200 -0.293 0.000 2.234 367 E HA 0.422 4.772 4.350 -0.000 0.000 0.266 367 E C -1.367 174.919 176.600 -0.523 0.000 0.877 367 E CA -0.430 55.831 56.400 -0.232 0.000 0.758 367 E CB 1.015 30.639 29.700 -0.126 0.000 1.170 367 E HN 0.339 nan 8.360 nan 0.000 0.415 368 Y N 1.976 122.255 120.300 -0.035 0.000 2.659 368 Y HA 0.575 5.125 4.550 -0.000 0.000 0.333 368 Y C -0.119 175.687 175.900 -0.156 0.000 1.064 368 Y CA -0.975 57.066 58.100 -0.099 0.000 1.141 368 Y CB 1.910 40.314 38.460 -0.094 0.000 1.316 368 Y HN 0.429 nan 8.280 nan 0.000 0.509 369 K N 0.857 121.264 120.400 0.013 0.000 2.546 369 K HA 0.687 5.007 4.320 -0.000 0.000 0.264 369 K C -2.378 174.151 176.600 -0.118 0.000 0.937 369 K CA -0.538 55.703 56.287 -0.076 0.000 0.833 369 K CB 1.796 34.273 32.500 -0.038 0.000 1.378 369 K HN 0.697 nan 8.250 nan 0.000 0.432 370 L N 2.172 123.299 121.223 -0.160 0.000 2.410 370 L HA 0.788 5.128 4.340 -0.000 0.000 0.270 370 L C -1.007 175.739 176.870 -0.205 0.000 0.983 370 L CA -0.982 53.744 54.840 -0.190 0.000 0.822 370 L CB 2.136 44.137 42.059 -0.098 0.000 1.285 370 L HN 0.797 nan 8.230 nan 0.000 0.409 371 A N 3.019 125.555 122.820 -0.474 0.000 2.381 371 A HA 0.887 5.207 4.320 -0.000 0.000 0.299 371 A C -1.477 175.639 177.584 -0.780 0.000 1.049 371 A CA -0.293 51.484 52.037 -0.434 0.000 0.715 371 A CB 0.994 19.864 19.000 -0.216 0.000 1.222 371 A HN 0.460 nan 8.150 nan 0.000 0.428 372 F N 1.846 121.561 119.950 -0.391 0.000 2.563 372 F HA 0.599 5.126 4.527 -0.000 0.000 0.316 372 F C 0.094 175.684 175.800 -0.351 0.000 1.076 372 F CA -1.041 56.767 58.000 -0.320 0.000 0.921 372 F CB 1.952 40.761 39.000 -0.319 0.000 1.209 372 F HN 0.280 nan 8.300 nan 0.000 0.462 373 I N 4.736 125.301 120.570 -0.008 0.000 2.557 373 I HA 0.275 4.445 4.170 -0.000 0.000 0.277 373 I C -0.501 175.606 176.117 -0.016 0.000 1.106 373 I CA -0.226 61.077 61.300 0.006 0.000 1.180 373 I CB 0.123 38.245 38.000 0.203 0.000 1.392 373 I HN 0.419 nan 8.210 nan 0.000 0.506 374 L N 5.127 126.258 121.223 -0.153 0.000 2.421 374 L HA 0.505 4.845 4.340 -0.000 0.000 0.263 374 L C 0.563 177.335 176.870 -0.164 0.000 1.122 374 L CA -0.541 54.155 54.840 -0.239 0.000 0.804 374 L CB 0.753 42.430 42.059 -0.636 0.000 1.150 374 L HN 0.525 nan 8.230 nan 0.000 0.457 375 E N 0.964 121.105 120.200 -0.098 0.000 2.369 375 E HA 0.563 4.913 4.350 -0.000 0.000 0.270 375 E C -1.457 175.245 176.600 0.171 0.000 0.909 375 E CA -1.047 55.254 56.400 -0.165 0.000 0.775 375 E CB 2.166 31.528 29.700 -0.564 0.000 1.270 375 E HN 0.250 nan 8.360 nan 0.000 0.445 376 L N 1.713 123.020 121.223 0.140 0.000 2.371 376 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 376 L C -0.969 175.873 176.870 -0.046 0.000 1.124 376 L CA -0.110 54.765 54.840 0.057 0.000 0.816 376 L CB 0.767 42.863 42.059 0.061 0.000 1.129 376 L HN 0.881 nan 8.230 nan 0.000 0.448 377 C N 1.322 120.565 119.300 -0.096 0.000 2.716 377 C HA 0.668 5.128 4.460 -0.000 0.000 0.366 377 C C -0.199 174.757 174.990 -0.058 0.000 1.073 377 C CA -1.008 57.973 59.018 -0.061 0.000 1.260 377 C CB 0.259 27.967 27.740 -0.053 0.000 1.755 377 C HN 0.859 nan 8.230 nan 0.000 0.475 378 S N 1.956 117.636 115.700 -0.033 0.000 2.452 378 S HA 0.630 5.100 4.470 -0.000 0.000 0.284 378 S C -0.016 174.611 174.600 0.045 0.000 1.171 378 S CA -0.418 57.755 58.200 -0.046 0.000 1.064 378 S CB 0.909 64.066 63.200 -0.072 0.000 0.967 378 S HN 2.110 nan 8.310 nan 0.000 0.484 379 V N 1.049 121.032 119.914 0.115 0.000 2.509 379 V HA 0.524 4.644 4.120 -0.000 0.000 0.284 379 V C 0.060 176.192 176.094 0.062 0.000 1.047 379 V CA -0.740 61.688 62.300 0.214 0.000 0.952 379 V CB 0.519 32.616 31.823 0.456 0.000 0.988 379 V HN 0.910 nan 8.190 nan 0.000 0.469 380 E N 4.076 124.323 120.200 0.078 0.000 2.392 380 E HA 0.364 4.714 4.350 -0.000 0.000 0.259 380 E C -0.615 175.959 176.600 -0.043 0.000 1.108 380 E CA -0.477 55.930 56.400 0.012 0.000 0.916 380 E CB 1.085 30.813 29.700 0.046 0.000 0.989 380 E HN 0.615 nan 8.360 nan 0.000 0.432 381 I N 2.717 123.238 120.570 -0.082 0.000 2.833 381 I HA 0.139 4.309 4.170 -0.000 0.000 0.286 381 I C -0.365 175.709 176.117 -0.073 0.000 1.287 381 I CA -0.130 61.097 61.300 -0.122 0.000 1.046 381 I CB 0.187 38.066 38.000 -0.202 0.000 1.612 381 I HN 0.323 nan 8.210 nan 0.000 0.585 382 T N 2.000 116.531 114.554 -0.039 0.000 2.928 382 T HA 0.465 4.815 4.350 -0.000 0.000 0.284 382 T C 1.602 176.288 174.700 -0.023 0.000 1.008 382 T CA -0.033 62.055 62.100 -0.021 0.000 1.057 382 T CB 2.321 71.190 68.868 0.002 0.000 1.018 382 T HN 0.527 nan 8.240 nan 0.000 0.493 383 A N 1.770 124.579 122.820 -0.018 0.000 1.915 383 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 383 A C 2.241 179.822 177.584 -0.005 0.000 1.198 383 A CA 2.504 54.532 52.037 -0.015 0.000 0.647 383 A CB -0.990 18.005 19.000 -0.009 0.000 0.825 383 A HN 0.942 nan 8.150 nan 0.000 0.456 384 Q N -0.582 119.222 119.800 0.008 0.000 2.020 384 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 384 Q C 2.151 178.175 176.000 0.040 0.000 0.982 384 Q CA 2.977 58.795 55.803 0.026 0.000 0.838 384 Q CB -0.511 28.245 28.738 0.030 0.000 0.899 384 Q HN 0.761 nan 8.270 nan 0.000 0.423 385 T N -1.810 112.758 114.554 0.024 0.000 2.777 385 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 385 T C 1.931 176.612 174.700 -0.033 0.000 1.040 385 T CA 1.245 63.347 62.100 0.002 0.000 1.141 385 T CB -0.755 68.111 68.868 -0.002 0.000 0.868 385 T HN 0.144 nan 8.240 nan 0.000 0.444 386 V N 2.199 122.087 119.914 -0.043 0.000 2.219 386 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 386 V C 3.101 179.167 176.094 -0.046 0.000 1.053 386 V CA 2.295 64.557 62.300 -0.062 0.000 1.009 386 V CB -1.449 30.335 31.823 -0.064 0.000 0.636 386 V HN 0.735 nan 8.190 nan 0.000 0.445 387 S N -0.233 115.454 115.700 -0.021 0.000 2.377 387 S HA -0.431 4.039 4.470 -0.000 0.000 0.224 387 S C 2.064 176.648 174.600 -0.026 0.000 1.042 387 S CA 2.652 60.841 58.200 -0.017 0.000 1.086 387 S CB -0.773 62.431 63.200 0.007 0.000 0.995 387 S HN 0.819 nan 8.310 nan 0.000 0.428 388 H N 1.167 120.199 119.070 -0.063 0.000 2.337 388 H HA -0.164 4.392 4.556 0.000 0.000 0.288 388 H C 1.830 177.103 175.328 -0.093 0.000 1.117 388 H CA 2.467 58.479 56.048 -0.059 0.000 1.205 388 H CB -0.777 28.955 29.762 -0.051 0.000 1.353 388 H HN 0.474 nan 8.280 nan 0.000 0.480 389 L N 0.166 121.226 121.223 -0.273 0.000 2.353 389 L HA -0.179 4.161 4.340 -0.000 0.000 0.220 389 L C 2.564 179.266 176.870 -0.280 0.000 1.133 389 L CA 0.753 55.390 54.840 -0.338 0.000 0.798 389 L CB -0.392 41.502 42.059 -0.274 0.000 0.922 389 L HN 0.379 nan 8.230 nan 0.000 0.445 390 Q N -0.002 119.675 119.800 -0.206 0.000 2.077 390 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 390 Q C 2.276 178.179 176.000 -0.161 0.000 0.989 390 Q CA 1.972 57.685 55.803 -0.149 0.000 0.853 390 Q CB -0.599 28.077 28.738 -0.104 0.000 0.907 390 Q HN 0.579 nan 8.270 nan 0.000 0.418 391 G N -0.037 108.642 108.800 -0.202 0.000 2.603 391 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.214 391 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.214 391 G C 1.445 176.234 174.900 -0.185 0.000 1.140 391 G CA 0.207 45.205 45.100 -0.170 0.000 0.800 391 G HN 0.266 nan 8.290 nan 0.000 0.533 392 L N 0.669 121.725 121.223 -0.277 0.000 2.027 392 L HA 0.388 4.728 4.340 -0.000 0.000 0.206 392 L C 1.067 177.836 176.870 -0.168 0.000 1.074 392 L CA 1.476 56.194 54.840 -0.202 0.000 0.745 392 L CB -0.140 41.782 42.059 -0.228 0.000 0.898 392 L HN 0.365 nan 8.230 nan 0.000 0.433 393 M N -3.642 115.828 119.600 -0.217 0.000 2.325 393 M HA 0.382 4.862 4.480 -0.000 0.000 0.285 393 M C -2.427 173.772 176.300 -0.169 0.000 1.119 393 M CA -1.340 53.849 55.300 -0.186 0.000 0.959 393 M CB 1.486 33.945 32.600 -0.235 0.000 1.737 393 M HN -0.361 nan 8.290 nan 0.000 0.486 394 P HA -0.077 nan 4.420 nan 0.000 0.217 394 P C 1.094 178.343 177.300 -0.085 0.000 1.151 394 P CA 1.936 64.980 63.100 -0.092 0.000 0.828 394 P CB 0.100 31.758 31.700 -0.070 0.000 0.788 395 S N -0.114 115.533 115.700 -0.087 0.000 2.377 395 S HA -0.054 4.416 4.470 -0.000 0.000 0.223 395 S C 2.191 176.741 174.600 -0.083 0.000 1.030 395 S CA 0.739 58.901 58.200 -0.065 0.000 0.970 395 S CB -1.755 61.421 63.200 -0.040 0.000 0.830 395 S HN 0.007 nan 8.310 nan 0.000 0.473 396 V N 1.890 121.705 119.914 -0.165 0.000 2.720 396 V HA 0.046 4.166 4.120 -0.000 0.000 0.256 396 V C 1.889 177.903 176.094 -0.133 0.000 1.082 396 V CA 1.307 63.448 62.300 -0.264 0.000 1.101 396 V CB -0.661 30.839 31.823 -0.538 0.000 0.693 396 V HN 0.560 nan 8.190 nan 0.000 0.479 397 L N -0.453 120.742 121.223 -0.048 0.000 2.395 397 L HA -0.017 4.323 4.340 -0.000 0.000 0.218 397 L C 2.327 179.257 176.870 0.099 0.000 1.130 397 L CA 1.337 56.229 54.840 0.087 0.000 0.826 397 L CB -0.293 41.766 42.059 0.000 0.000 0.941 397 L HN 0.428 nan 8.230 nan 0.000 0.451 398 E N 0.437 120.665 120.200 0.048 0.000 2.030 398 E HA -0.134 4.216 4.350 -0.000 0.000 0.189 398 E C 1.868 178.518 176.600 0.084 0.000 0.974 398 E CA 0.693 57.122 56.400 0.048 0.000 0.807 398 E CB 0.259 29.967 29.700 0.015 0.000 0.771 398 E HN 0.373 nan 8.360 nan 0.000 0.451 399 N N 0.351 119.097 118.700 0.078 0.000 2.166 399 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 399 N C 1.405 177.030 175.510 0.192 0.000 1.019 399 N CA 0.715 53.822 53.050 0.094 0.000 0.856 399 N CB -0.399 38.117 38.487 0.048 0.000 0.993 399 N HN 0.354 nan 8.380 nan 0.000 0.426 400 W N 1.530 122.824 121.300 -0.010 0.000 2.424 400 W HA -0.111 4.549 4.660 0.000 0.000 0.264 400 W C 0.453 176.964 176.519 -0.013 0.000 1.229 400 W CA 0.912 58.249 57.345 -0.014 0.000 1.208 400 W CB -0.392 29.047 29.460 -0.036 0.000 1.127 400 W HN 0.290 nan 8.180 nan 0.000 0.588 401 E N -1.922 118.392 120.200 0.190 0.000 3.547 401 E HA -0.299 4.051 4.350 -0.000 0.000 0.309 401 E C 1.159 177.767 176.600 0.013 0.000 0.855 401 E CA 0.684 57.127 56.400 0.073 0.000 1.122 401 E CB -2.187 27.543 29.700 0.049 0.000 1.569 401 E HN 0.481 nan 8.360 nan 0.000 0.429 402 I N -2.498 118.081 120.570 0.015 0.000 2.286 402 I HA 0.061 4.231 4.170 -0.000 0.000 0.245 402 I C 1.156 177.255 176.117 -0.029 0.000 1.104 402 I CA 1.541 62.812 61.300 -0.050 0.000 1.397 402 I CB 0.150 38.110 38.000 -0.067 0.000 1.072 402 I HN 0.048 nan 8.210 nan 0.000 0.417 403 G N 1.438 110.236 108.800 -0.004 0.000 2.760 403 G HA2 0.629 4.589 3.960 -0.000 0.000 0.285 403 G HA3 0.629 4.589 3.960 -0.000 0.000 0.285 403 G C -1.240 173.660 174.900 -0.000 0.000 1.496 403 G CA -0.254 44.840 45.100 -0.009 0.000 1.026 403 G HN 0.087 nan 8.290 nan 0.000 0.536 404 V N 1.925 121.838 119.914 -0.002 0.000 3.167 404 V HA 0.203 4.323 4.120 -0.000 0.000 0.293 404 V C 0.442 176.535 176.094 -0.002 0.000 1.379 404 V CA -0.766 61.535 62.300 0.001 0.000 1.019 404 V CB 2.005 33.834 31.823 0.009 0.000 1.115 404 V HN 0.642 nan 8.190 nan 0.000 0.442 405 Q N 1.436 121.234 119.800 -0.002 0.000 2.084 405 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 405 Q C -1.642 174.356 176.000 -0.002 0.000 0.978 405 Q CA 1.746 57.547 55.803 -0.003 0.000 0.844 405 Q CB -0.495 28.241 28.738 -0.003 0.000 0.898 405 Q HN 0.745 nan 8.270 nan 0.000 0.426 406 P HA 0.338 nan 4.420 nan 0.000 0.350 406 P C -2.921 174.382 177.300 0.004 0.000 1.336 406 P CA -1.923 61.177 63.100 0.000 0.000 1.382 406 P CB 2.202 33.902 31.700 0.000 0.000 2.471 407 P HA 0.017 nan 4.420 nan 0.000 0.268 407 P C 0.934 178.240 177.300 0.010 0.000 1.205 407 P CA 0.276 63.381 63.100 0.008 0.000 0.771 407 P CB 0.597 32.301 31.700 0.005 0.000 0.858 408 T N 0.951 115.514 114.554 0.015 0.000 2.746 408 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 408 T C 1.941 176.648 174.700 0.011 0.000 1.039 408 T CA 2.125 64.234 62.100 0.015 0.000 1.142 408 T CB -0.363 68.519 68.868 0.022 0.000 0.866 408 T HN 0.454 nan 8.240 nan 0.000 0.444 409 S N -0.058 115.649 115.700 0.011 0.000 2.382 409 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 409 S C 2.344 176.945 174.600 0.001 0.000 1.027 409 S CA 1.938 60.141 58.200 0.006 0.000 0.991 409 S CB -0.868 62.336 63.200 0.007 0.000 0.823 409 S HN 0.602 nan 8.310 nan 0.000 0.469 410 S N 0.405 116.106 115.700 0.001 0.000 2.370 410 S HA 0.028 4.498 4.470 -0.000 0.000 0.226 410 S C 0.748 175.346 174.600 -0.003 0.000 1.033 410 S CA 0.598 58.797 58.200 -0.002 0.000 1.011 410 S CB -0.660 62.539 63.200 -0.001 0.000 0.852 410 S HN 0.550 nan 8.310 nan 0.000 0.457 411 I N 2.264 122.833 120.570 -0.001 0.000 2.752 411 I HA 0.102 4.272 4.170 -0.000 0.000 0.287 411 I C -0.151 175.963 176.117 -0.005 0.000 1.188 411 I CA -0.291 61.007 61.300 -0.002 0.000 1.427 411 I CB 0.491 38.491 38.000 0.001 0.000 1.365 411 I HN 0.225 nan 8.210 nan 0.000 0.585 412 L N 7.405 128.624 121.223 -0.008 0.000 2.296 412 L HA 0.432 4.772 4.340 -0.000 0.000 0.286 412 L C -0.401 176.462 176.870 -0.013 0.000 1.023 412 L CA 0.027 54.859 54.840 -0.013 0.000 0.812 412 L CB 1.172 43.220 42.059 -0.018 0.000 1.223 412 L HN 0.707 nan 8.230 nan 0.000 0.421 413 E N 2.118 122.308 120.200 -0.016 0.000 2.343 413 E HA 0.490 4.840 4.350 -0.000 0.000 0.270 413 E C -1.418 175.165 176.600 -0.029 0.000 0.895 413 E CA -1.031 55.363 56.400 -0.010 0.000 0.767 413 E CB 1.455 31.156 29.700 0.001 0.000 1.248 413 E HN 0.406 nan 8.360 nan 0.000 0.440 414 D N 1.011 121.400 120.400 -0.019 0.000 2.368 414 D HA 0.334 4.974 4.640 -0.000 0.000 0.240 414 D C -0.487 175.778 176.300 -0.058 0.000 1.169 414 D CA 0.241 54.199 54.000 -0.070 0.000 0.906 414 D CB 1.216 42.028 40.800 0.020 0.000 1.187 414 D HN 0.422 nan 8.370 nan 0.000 0.435 415 T N 0.571 115.002 114.554 -0.205 0.000 3.393 415 T HA 0.292 4.641 4.350 -0.000 0.000 0.359 415 T C -1.187 173.332 174.700 -0.302 0.000 1.380 415 T CA -0.596 61.447 62.100 -0.096 0.000 1.132 415 T CB 0.385 69.207 68.868 -0.078 0.000 1.284 415 T HN 0.131 nan 8.240 nan 0.000 0.477 416 Y N 0.973 121.254 120.300 -0.032 0.000 2.654 416 Y HA 0.783 5.333 4.550 0.000 0.000 0.327 416 Y C 0.623 176.471 175.900 -0.085 0.000 1.122 416 Y CA -1.430 56.643 58.100 -0.045 0.000 1.227 416 Y CB 1.258 39.707 38.460 -0.018 0.000 1.370 416 Y HN 0.424 nan 8.280 nan 0.000 0.528 417 R N 0.288 120.808 120.500 0.033 0.000 2.534 417 R HA 0.349 4.689 4.340 -0.000 0.000 0.301 417 R C -1.666 174.539 176.300 -0.159 0.000 0.961 417 R CA -0.609 55.353 56.100 -0.231 0.000 0.871 417 R CB 0.405 30.425 30.300 -0.467 0.000 1.170 417 R HN 0.841 nan 8.270 nan 0.000 0.446 418 Y N 3.533 123.872 120.300 0.065 0.000 3.233 418 Y HA -0.224 4.326 4.550 0.000 0.000 0.201 418 Y C 0.757 176.679 175.900 0.038 0.000 1.486 418 Y CA -0.178 57.948 58.100 0.044 0.000 1.326 418 Y CB -1.569 36.914 38.460 0.038 0.000 1.460 418 Y HN 0.681 nan 8.280 nan 0.000 0.512 419 I N 0.042 120.704 120.570 0.154 0.000 3.164 419 I HA -0.201 3.969 4.170 -0.000 0.000 0.278 419 I C 1.392 177.528 176.117 0.031 0.000 1.320 419 I CA 1.078 62.416 61.300 0.063 0.000 1.422 419 I CB -0.102 37.923 38.000 0.043 0.000 1.066 419 I HN 0.357 nan 8.210 nan 0.000 0.503 420 E N 0.137 120.376 120.200 0.065 0.000 2.478 420 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 420 E C 0.927 177.538 176.600 0.019 0.000 1.045 420 E CA 0.015 56.434 56.400 0.031 0.000 0.868 420 E CB 0.028 29.749 29.700 0.034 0.000 0.885 420 E HN 0.130 nan 8.360 nan 0.000 0.505 421 S N 1.702 117.425 115.700 0.039 0.000 2.564 421 S HA 0.075 4.545 4.470 -0.000 0.000 0.278 421 S C -1.504 173.094 174.600 -0.003 0.000 1.333 421 S CA -1.307 56.904 58.200 0.018 0.000 1.048 421 S CB 0.701 63.932 63.200 0.052 0.000 0.900 421 S HN -0.048 nan 8.310 nan 0.000 0.505 422 P HA 0.030 nan 4.420 nan 0.000 0.230 422 P C 1.014 178.304 177.300 -0.017 0.000 1.158 422 P CA 0.759 63.849 63.100 -0.017 0.000 0.769 422 P CB -0.072 31.619 31.700 -0.014 0.000 0.807 423 A N 0.054 122.871 122.820 -0.005 0.000 1.898 423 A HA -0.015 4.305 4.320 -0.000 0.000 0.216 423 A C 1.443 179.013 177.584 -0.024 0.000 1.181 423 A CA 1.279 53.317 52.037 0.000 0.000 0.620 423 A CB -1.453 17.563 19.000 0.027 0.000 0.819 423 A HN 0.204 nan 8.150 nan 0.000 0.442 424 T N 0.981 115.507 114.554 -0.047 0.000 2.849 424 T HA 0.406 4.756 4.350 -0.000 0.000 0.284 424 T C 0.298 174.901 174.700 -0.161 0.000 1.004 424 T CA -0.387 61.624 62.100 -0.149 0.000 1.021 424 T CB 0.868 69.620 68.868 -0.193 0.000 1.013 424 T HN 0.579 nan 8.240 nan 0.000 0.527 425 K N -0.036 120.214 120.400 -0.250 0.000 2.219 425 K HA 0.353 4.673 4.320 -0.000 0.000 0.258 425 K C -0.220 176.295 176.600 -0.140 0.000 1.008 425 K CA -0.743 55.439 56.287 -0.175 0.000 0.928 425 K CB 0.133 32.520 32.500 -0.187 0.000 0.983 425 K HN 0.413 nan 8.250 nan 0.000 0.484 426 C N 1.020 120.268 119.300 -0.087 0.000 2.649 426 C HA 0.183 4.643 4.460 -0.000 0.000 0.377 426 C C 2.034 176.993 174.990 -0.051 0.000 1.321 426 C CA 0.269 59.252 59.018 -0.059 0.000 2.368 426 C CB 0.230 27.947 27.740 -0.039 0.000 2.597 426 C HN 0.987 nan 8.230 nan 0.000 0.678 427 A N 1.491 124.291 122.820 -0.032 0.000 2.125 427 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 427 A C 2.179 179.754 177.584 -0.015 0.000 1.156 427 A CA 2.016 54.042 52.037 -0.018 0.000 0.671 427 A CB -0.704 18.291 19.000 -0.008 0.000 0.794 427 A HN 1.075 nan 8.150 nan 0.000 0.459 428 S N 1.065 116.754 115.700 -0.019 0.000 2.370 428 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 428 S C 1.551 176.143 174.600 -0.013 0.000 1.033 428 S CA 1.385 59.576 58.200 -0.016 0.000 1.011 428 S CB -0.751 62.439 63.200 -0.018 0.000 0.852 428 S HN 0.568 nan 8.310 nan 0.000 0.457 429 N N 1.633 120.324 118.700 -0.015 0.000 2.513 429 N HA -0.024 4.716 4.740 -0.000 0.000 0.187 429 N C 1.450 176.963 175.510 0.006 0.000 1.056 429 N CA 0.912 53.958 53.050 -0.006 0.000 0.907 429 N CB -0.738 37.743 38.487 -0.011 0.000 0.954 429 N HN 0.407 nan 8.380 nan 0.000 0.445 430 V N 1.180 121.097 119.914 0.005 0.000 2.720 430 V HA -0.145 3.975 4.120 -0.000 0.000 0.256 430 V C 2.044 178.143 176.094 0.009 0.000 1.082 430 V CA 0.874 63.183 62.300 0.014 0.000 1.101 430 V CB -0.440 31.390 31.823 0.012 0.000 0.693 430 V HN 0.309 nan 8.190 nan 0.000 0.479 431 I N 0.983 121.553 120.570 0.001 0.000 2.567 431 I HA -0.121 4.049 4.170 -0.000 0.000 0.257 431 I C 0.232 176.348 176.117 -0.001 0.000 1.184 431 I CA 0.903 62.201 61.300 -0.004 0.000 1.451 431 I CB -1.520 36.472 38.000 -0.012 0.000 1.089 431 I HN 0.430 nan 8.210 nan 0.000 0.441 432 P HA -0.112 nan 4.420 nan 0.000 0.218 432 P C 0.726 178.030 177.300 0.008 0.000 1.148 432 P CA 1.120 64.224 63.100 0.006 0.000 0.822 432 P CB -0.107 31.601 31.700 0.013 0.000 0.784 433 A N 0.844 123.672 122.820 0.012 0.000 2.466 433 A HA 0.066 4.386 4.320 -0.000 0.000 0.238 433 A C 0.360 177.950 177.584 0.010 0.000 1.074 433 A CA -0.210 51.835 52.037 0.013 0.000 0.774 433 A CB -0.357 18.653 19.000 0.016 0.000 1.015 433 A HN 0.099 nan 8.150 nan 0.000 0.498 434 K N 0.896 121.303 120.400 0.012 0.000 2.511 434 K HA 0.110 4.430 4.320 -0.000 0.000 0.280 434 K C -0.160 176.447 176.600 0.011 0.000 1.008 434 K CA 0.555 56.848 56.287 0.011 0.000 1.050 434 K CB 0.238 32.748 32.500 0.017 0.000 0.889 434 K HN 0.760 nan 8.250 nan 0.000 0.484 435 E N 2.170 122.372 120.200 0.004 0.000 2.151 435 E HA 0.082 4.432 4.350 -0.000 0.000 0.275 435 E C -0.845 175.761 176.600 0.010 0.000 0.936 435 E CA -1.142 55.259 56.400 0.001 0.000 0.777 435 E CB 0.753 30.444 29.700 -0.016 0.000 1.108 435 E HN 0.425 nan 8.360 nan 0.000 0.401 436 D N 3.851 124.270 120.400 0.031 0.000 2.548 436 D HA -0.087 4.553 4.640 -0.000 0.000 0.231 436 D C -1.510 174.818 176.300 0.047 0.000 1.142 436 D CA -1.089 52.957 54.000 0.077 0.000 0.866 436 D CB 0.430 41.287 40.800 0.096 0.000 1.190 436 D HN 0.335 nan 8.370 nan 0.000 0.469 437 P HA -0.107 nan 4.420 nan 0.000 0.217 437 P C 0.632 177.814 177.300 -0.197 0.000 1.154 437 P CA 0.797 63.825 63.100 -0.120 0.000 0.841 437 P CB -0.125 31.427 31.700 -0.248 0.000 0.790 438 Y N 0.223 120.550 120.300 0.045 0.000 2.506 438 Y HA 0.339 4.889 4.550 -0.000 0.000 0.333 438 Y C 2.310 178.122 175.900 -0.147 0.000 1.177 438 Y CA -0.020 58.124 58.100 0.073 0.000 1.292 438 Y CB -1.409 37.252 38.460 0.336 0.000 1.124 438 Y HN -0.011 nan 8.280 nan 0.000 0.507 439 A N 0.101 122.866 122.820 -0.092 0.000 2.015 439 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 439 A C 2.527 179.959 177.584 -0.253 0.000 1.163 439 A CA 1.417 53.369 52.037 -0.142 0.000 0.646 439 A CB -0.958 17.980 19.000 -0.104 0.000 0.806 439 A HN 0.546 nan 8.150 nan 0.000 0.448 440 G N -0.279 108.234 108.800 -0.478 0.000 2.402 440 G HA2 0.081 4.041 3.960 -0.000 0.000 0.216 440 G HA3 0.081 4.041 3.960 -0.000 0.000 0.216 440 G C 0.582 175.239 174.900 -0.405 0.000 1.162 440 G CA 0.453 45.237 45.100 -0.528 0.000 0.777 440 G HN 0.450 nan 8.290 nan 0.000 0.539 441 F N 0.526 120.480 119.950 0.006 0.000 2.380 441 F HA 0.605 5.132 4.527 -0.000 0.000 0.321 441 F C 0.543 176.240 175.800 -0.172 0.000 1.103 441 F CA -1.102 56.907 58.000 0.016 0.000 1.067 441 F CB 1.197 40.297 39.000 0.166 0.000 1.265 441 F HN -0.073 nan 8.300 nan 0.000 0.517 442 K N 1.358 121.753 120.400 -0.007 0.000 2.508 442 K HA 0.660 4.980 4.320 -0.000 0.000 0.260 442 K C -1.879 174.600 176.600 -0.202 0.000 0.949 442 K CA -0.661 55.436 56.287 -0.318 0.000 0.834 442 K CB 2.103 34.524 32.500 -0.132 0.000 1.365 442 K HN 0.723 nan 8.250 nan 0.000 0.437 443 F N -1.830 118.197 119.950 0.129 0.000 2.779 443 F HA 0.505 5.032 4.527 -0.000 0.000 0.316 443 F C -0.698 175.210 175.800 0.180 0.000 1.164 443 F CA -1.457 56.622 58.000 0.130 0.000 0.924 443 F CB 0.289 39.363 39.000 0.123 0.000 1.348 443 F HN 0.443 nan 8.300 nan 0.000 0.467 444 W N 3.040 124.511 121.300 0.285 0.000 2.343 444 W HA 0.146 4.806 4.660 0.000 0.000 0.337 444 W C -0.853 175.808 176.519 0.236 0.000 1.320 444 W CA 0.040 57.525 57.345 0.234 0.000 1.290 444 W CB 0.456 30.111 29.460 0.325 0.000 1.206 444 W HN 0.721 nan 8.180 nan 0.000 0.565 445 N N 5.982 125.063 118.700 0.635 0.000 2.476 445 N HA 0.339 5.079 4.740 -0.000 0.000 0.257 445 N C -0.940 174.761 175.510 0.320 0.000 0.970 445 N CA -0.471 52.792 53.050 0.354 0.000 0.938 445 N CB 0.577 39.172 38.487 0.180 0.000 1.144 445 N HN 0.214 nan 8.380 nan 0.000 0.500 446 I N 1.976 122.628 120.570 0.137 0.000 2.328 446 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 446 I C -0.302 175.794 176.117 -0.034 0.000 1.012 446 I CA -0.693 60.605 61.300 -0.003 0.000 1.195 446 I CB 1.195 39.065 38.000 -0.218 0.000 1.350 446 I HN 0.420 nan 8.210 nan 0.000 0.464 447 D N 7.207 127.605 120.400 -0.003 0.000 2.249 447 D HA 0.270 4.910 4.640 -0.000 0.000 0.246 447 D C 0.135 176.411 176.300 -0.040 0.000 1.114 447 D CA -0.068 53.923 54.000 -0.015 0.000 0.854 447 D CB 1.754 42.566 40.800 0.019 0.000 1.132 447 D HN 0.496 nan 8.370 nan 0.000 0.461 448 L N 3.704 124.887 121.223 -0.067 0.000 2.959 448 L HA 0.161 4.501 4.340 -0.000 0.000 0.259 448 L C 2.000 178.847 176.870 -0.039 0.000 1.185 448 L CA -0.198 54.592 54.840 -0.083 0.000 0.998 448 L CB 0.390 42.341 42.059 -0.180 0.000 1.337 448 L HN 0.249 nan 8.230 nan 0.000 0.555 449 K N 0.590 120.995 120.400 0.008 0.000 2.281 449 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 449 K C 1.130 177.786 176.600 0.093 0.000 1.046 449 K CA 1.382 57.709 56.287 0.068 0.000 0.938 449 K CB 0.190 32.737 32.500 0.079 0.000 0.737 449 K HN 0.470 nan 8.250 nan 0.000 0.458 450 E N -0.384 119.855 120.200 0.065 0.000 2.391 450 E HA 0.040 4.390 4.350 -0.000 0.000 0.206 450 E C 0.135 176.783 176.600 0.079 0.000 0.851 450 E CA -0.016 56.433 56.400 0.082 0.000 1.059 450 E CB 0.483 30.223 29.700 0.067 0.000 1.065 450 E HN 0.036 nan 8.360 nan 0.000 0.512 451 K N 1.695 122.125 120.400 0.050 0.000 3.006 451 K HA 0.169 4.489 4.320 -0.000 0.000 0.265 451 K C -0.804 175.803 176.600 0.013 0.000 1.279 451 K CA -0.059 56.260 56.287 0.054 0.000 1.229 451 K CB -0.008 32.515 32.500 0.038 0.000 1.555 451 K HN -0.076 nan 8.250 nan 0.000 0.300 452 L N -0.576 120.674 121.223 0.044 0.000 2.410 452 L HA 0.431 4.771 4.340 -0.000 0.000 0.270 452 L C -0.741 176.209 176.870 0.133 0.000 0.983 452 L CA -0.209 54.640 54.840 0.015 0.000 0.822 452 L CB 2.068 44.112 42.059 -0.026 0.000 1.285 452 L HN 0.096 nan 8.230 nan 0.000 0.409 453 S N 2.922 118.697 115.700 0.125 0.000 2.811 453 S HA 0.653 5.123 4.470 -0.000 0.000 0.311 453 S C -0.397 174.272 174.600 0.116 0.000 1.152 453 S CA -0.320 58.001 58.200 0.201 0.000 0.864 453 S CB 1.353 64.726 63.200 0.288 0.000 1.226 453 S HN 0.755 nan 8.310 nan 0.000 0.541 454 L N 1.071 122.300 121.223 0.011 0.000 3.086 454 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 454 L C -1.132 175.668 176.870 -0.116 0.000 1.184 454 L CA 0.323 54.996 54.840 -0.279 0.000 1.002 454 L CB 0.528 42.437 42.059 -0.250 0.000 1.383 454 L HN 0.459 nan 8.230 nan 0.000 0.582 455 D N 0.753 121.186 120.400 0.055 0.000 2.479 455 D HA 0.258 4.898 4.640 -0.000 0.000 0.218 455 D C 1.454 177.826 176.300 0.119 0.000 1.131 455 D CA 0.045 54.084 54.000 0.064 0.000 0.916 455 D CB 0.843 41.681 40.800 0.063 0.000 1.022 455 D HN 0.130 nan 8.370 nan 0.000 0.515 456 L N 0.881 122.116 121.223 0.020 0.000 2.042 456 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 456 L C 1.933 178.837 176.870 0.057 0.000 1.076 456 L CA 1.187 56.040 54.840 0.021 0.000 0.749 456 L CB -0.139 41.852 42.059 -0.114 0.000 0.893 456 L HN 0.312 nan 8.230 nan 0.000 0.432 457 D N -0.534 119.872 120.400 0.011 0.000 2.133 457 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 457 D C 2.204 178.474 176.300 -0.051 0.000 0.997 457 D CA 1.216 55.210 54.000 -0.011 0.000 0.840 457 D CB 0.099 40.881 40.800 -0.029 0.000 0.947 457 D HN 0.146 nan 8.370 nan 0.000 0.452 458 Q N -0.485 119.245 119.800 -0.117 0.000 2.062 458 Q HA -0.128 4.212 4.340 -0.000 0.000 0.209 458 Q C 0.722 176.436 176.000 -0.478 0.000 0.996 458 Q CA 0.934 56.523 55.803 -0.358 0.000 0.859 458 Q CB -0.720 27.641 28.738 -0.628 0.000 0.920 458 Q HN 0.369 nan 8.270 nan 0.000 0.415 459 F N 0.790 120.588 119.950 -0.254 0.000 2.375 459 F HA 0.099 4.626 4.527 -0.000 0.000 0.313 459 F C -0.894 174.787 175.800 -0.198 0.000 1.176 459 F CA -1.965 55.827 58.000 -0.346 0.000 1.142 459 F CB -0.598 37.833 39.000 -0.949 0.000 1.275 459 F HN -0.046 nan 8.300 nan 0.000 0.544 460 P HA -0.187 nan 4.420 nan 0.000 0.214 460 P C 1.704 179.079 177.300 0.125 0.000 1.162 460 P CA 1.334 64.479 63.100 0.075 0.000 0.879 460 P CB 0.175 31.921 31.700 0.077 0.000 0.786 461 L N -0.065 121.275 121.223 0.195 0.000 2.549 461 L HA 0.118 4.458 4.340 -0.000 0.000 0.229 461 L C 2.178 179.247 176.870 0.332 0.000 1.158 461 L CA 1.377 56.374 54.840 0.262 0.000 0.842 461 L CB -1.473 40.759 42.059 0.288 0.000 0.952 461 L HN -0.066 nan 8.230 nan 0.000 0.452 462 G N -0.782 108.158 108.800 0.233 0.000 2.425 462 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.213 462 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.213 462 G C 1.710 176.735 174.900 0.207 0.000 1.201 462 G CA 0.389 45.608 45.100 0.199 0.000 0.799 462 G HN 0.326 nan 8.290 nan 0.000 0.534 463 R N -0.305 120.277 120.500 0.136 0.000 2.103 463 R HA -0.022 4.318 4.340 -0.000 0.000 0.242 463 R C 2.702 179.090 176.300 0.147 0.000 1.142 463 R CA 1.002 57.165 56.100 0.105 0.000 0.960 463 R CB -0.242 30.094 30.300 0.059 0.000 0.858 463 R HN 0.049 nan 8.270 nan 0.000 0.439 464 R N 0.013 120.628 120.500 0.193 0.000 2.170 464 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 464 R C 1.866 178.365 176.300 0.331 0.000 1.145 464 R CA 1.363 57.608 56.100 0.243 0.000 0.984 464 R CB -0.472 29.986 30.300 0.263 0.000 0.869 464 R HN 0.269 nan 8.270 nan 0.000 0.455 465 F N 0.428 120.482 119.950 0.173 0.000 2.104 465 F HA -0.040 4.487 4.527 -0.000 0.000 0.288 465 F C 2.124 177.812 175.800 -0.188 0.000 1.107 465 F CA 0.894 58.861 58.000 -0.055 0.000 1.208 465 F CB -0.382 38.625 39.000 0.012 0.000 1.033 465 F HN -0.154 nan 8.300 nan 0.000 0.478 466 L N 0.602 122.006 121.223 0.302 0.000 2.081 466 L HA -0.273 4.067 4.340 -0.000 0.000 0.212 466 L C 2.773 179.612 176.870 -0.051 0.000 1.080 466 L CA 1.084 55.992 54.840 0.114 0.000 0.754 466 L CB -1.431 40.687 42.059 0.098 0.000 0.893 466 L HN 0.354 nan 8.230 nan 0.000 0.433 467 A N -0.066 122.738 122.820 -0.026 0.000 1.859 467 A HA -0.343 3.977 4.320 -0.000 0.000 0.217 467 A C 2.291 179.802 177.584 -0.121 0.000 1.198 467 A CA 2.251 54.260 52.037 -0.047 0.000 0.629 467 A CB -0.789 18.212 19.000 0.000 0.000 0.830 467 A HN 0.502 nan 8.150 nan 0.000 0.446 468 Q N -1.433 118.243 119.800 -0.206 0.000 2.135 468 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 468 Q C 2.240 178.046 176.000 -0.325 0.000 0.981 468 Q CA 1.996 57.625 55.803 -0.290 0.000 0.856 468 Q CB -0.143 28.307 28.738 -0.479 0.000 0.902 468 Q HN 0.700 nan 8.270 nan 0.000 0.425 469 Q N -0.878 118.686 119.800 -0.393 0.000 2.084 469 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 469 Q C 1.222 177.119 176.000 -0.172 0.000 0.978 469 Q CA 2.266 57.881 55.803 -0.313 0.000 0.844 469 Q CB -0.174 28.392 28.738 -0.287 0.000 0.898 469 Q HN 0.574 nan 8.270 nan 0.000 0.426 470 G N -2.084 106.639 108.800 -0.128 0.000 2.316 470 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.203 470 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.203 470 G C 0.255 175.117 174.900 -0.063 0.000 0.999 470 G CA 0.008 45.056 45.100 -0.087 0.000 0.649 470 G HN 0.798 nan 8.290 nan 0.000 0.489 471 A N 1.127 123.910 122.820 -0.062 0.000 3.056 471 A HA 0.701 5.021 4.320 -0.000 0.000 0.274 471 A C 0.776 178.342 177.584 -0.030 0.000 1.661 471 A CA 0.933 52.945 52.037 -0.041 0.000 1.363 471 A CB -0.520 18.456 19.000 -0.040 0.000 1.139 471 A HN 1.672 nan 8.150 nan 0.000 0.598 472 G N -0.818 107.964 108.800 -0.030 0.000 2.530 472 G HA2 0.405 4.365 3.960 -0.000 0.000 0.316 472 G HA3 0.405 4.365 3.960 -0.000 0.000 0.316 472 G C 0.450 175.340 174.900 -0.017 0.000 1.298 472 G CA 0.199 45.287 45.100 -0.020 0.000 0.948 472 G HN 1.034 nan 8.290 nan 0.000 0.486 473 C N 0.927 120.220 119.300 -0.012 0.000 2.906 473 C HA 0.638 5.098 4.460 -0.000 0.000 0.274 473 C C 0.850 175.834 174.990 -0.011 0.000 1.257 473 C CA -0.045 58.965 59.018 -0.013 0.000 1.695 473 C CB -0.662 27.069 27.740 -0.014 0.000 1.958 473 C HN 0.670 nan 8.230 nan 0.000 0.619 474 S N 1.002 116.698 115.700 -0.007 0.000 2.423 474 S HA 0.414 4.884 4.470 -0.000 0.000 0.213 474 S C -0.588 174.012 174.600 -0.001 0.000 1.131 474 S CA 0.027 58.225 58.200 -0.003 0.000 1.155 474 S CB 0.418 63.620 63.200 0.002 0.000 1.202 474 S HN 0.528 nan 8.310 nan 0.000 0.441 475 T N 3.327 117.876 114.554 -0.007 0.000 2.856 475 T HA 0.268 4.618 4.350 -0.000 0.000 0.292 475 T C 0.414 175.112 174.700 -0.003 0.000 0.980 475 T CA -0.361 61.733 62.100 -0.010 0.000 1.091 475 T CB 1.203 70.061 68.868 -0.018 0.000 0.936 475 T HN 0.455 nan 8.240 nan 0.000 0.503 476 V N 5.924 125.839 119.914 0.002 0.000 2.157 476 V HA 0.247 4.367 4.120 -0.000 0.000 0.241 476 V C 0.503 176.598 176.094 0.001 0.000 1.349 476 V CA 0.250 62.555 62.300 0.009 0.000 1.319 476 V CB -1.299 30.538 31.823 0.023 0.000 1.421 476 V HN 0.560 nan 8.190 nan 0.000 0.501 477 R N 3.843 124.341 120.500 -0.002 0.000 2.518 477 R HA 0.346 4.686 4.340 -0.000 0.000 0.287 477 R C -0.438 175.859 176.300 -0.005 0.000 1.135 477 R CA -0.498 55.599 56.100 -0.005 0.000 0.967 477 R CB 2.072 32.367 30.300 -0.009 0.000 1.212 477 R HN 0.719 nan 8.270 nan 0.000 0.422 478 K N 2.161 122.558 120.400 -0.004 0.000 2.842 478 K HA 0.415 4.735 4.320 -0.000 0.000 0.176 478 K C -0.391 176.206 176.600 -0.005 0.000 1.080 478 K CA -0.682 55.602 56.287 -0.005 0.000 0.954 478 K CB 1.171 33.669 32.500 -0.003 0.000 1.203 478 K HN 0.247 nan 8.250 nan 0.000 0.611 479 R N 2.362 122.858 120.500 -0.006 0.000 2.538 479 R HA 0.031 4.371 4.340 -0.000 0.000 0.282 479 R C -0.099 176.198 176.300 -0.006 0.000 1.009 479 R CA 0.215 56.311 56.100 -0.007 0.000 1.063 479 R CB 0.341 30.636 30.300 -0.008 0.000 0.945 479 R HN 0.630 nan 8.270 nan 0.000 0.414 480 R N 2.675 123.172 120.500 -0.006 0.000 2.480 480 R HA 0.446 4.786 4.340 -0.000 0.000 0.306 480 R C -0.761 175.536 176.300 -0.005 0.000 0.958 480 R CA -0.783 55.314 56.100 -0.005 0.000 0.861 480 R CB 1.165 31.462 30.300 -0.004 0.000 1.171 480 R HN 0.304 nan 8.270 nan 0.000 0.445 481 I N 1.595 122.162 120.570 -0.005 0.000 2.562 481 I HA 0.520 4.690 4.170 -0.000 0.000 0.301 481 I C 0.073 176.187 176.117 -0.005 0.000 1.003 481 I CA -0.490 60.807 61.300 -0.005 0.000 1.127 481 I CB 1.748 39.744 38.000 -0.006 0.000 1.304 481 I HN 0.879 nan 8.210 nan 0.000 0.446 482 S N 0.000 115.697 115.700 -0.004 0.000 2.498 482 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 482 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 482 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 482 S HN 0.000 nan 8.310 nan 0.000 0.517