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 2c8n_1_F DATA FIRST_RESID 3 DATA SEQUENCE KARMTVDKDY KIAEIDKRIY GSFVEHLGRA VYDGLYQPGN SKSDEDGFRK DATA SEQUENCE DVIELVKELN VPIIRYPGGN FVSNYFWEDG VGPVEDRPRR LDLAWKSIEP DATA SEQUENCE NQVGINEFAK WCKKVNAEIM MAVNLGTRGI SDACNLLEYC NHPGGSKYSD DATA SEQUENCE MRIKHGVKEP HNIKVWCLGN AMDGPWQVGH KTMDEYGRIA EETARAMKMI DATA SEQUENCE DPSIELVACG SSSKDMPTFP QWEATVLDYA YDYVDYISLH QYYGNKENDT DATA SEQUENCE ADFLAKSDDL DDFIRSVIAT CDYIKAKKRS KKDIYLSFDE WNVWYHSNNE DATA SEQUENCE DANIMQNEPW RIAPPLLEDI YTFEDALLVG LMLITLMKHA DRIKIACLAQ DATA SEQUENCE LINVIAPIVT ERNGGAAWRQ TIFYPFMHAS KYGRGIVLQP VINSPLHDTS DATA SEQUENCE KHEDVTDIES VAIYNEEKEE VTIFAVNRNI HEDIVLVSDV RGMKDYRLLE DATA SEQUENCE HIVLEHQDLK IRNSVNGEEV YPKNSDKSSF DDGILTSMLR RASWNVIRIG 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.611 176.600 0.018 0.000 0.988 3 K CA 0.000 56.298 56.287 0.018 0.000 0.838 3 K CB 0.000 32.510 32.500 0.016 0.000 1.064 4 A N 1.432 124.261 122.820 0.015 0.000 2.515 4 A HA 0.930 5.250 4.320 0.001 0.000 0.296 4 A C -1.308 176.281 177.584 0.008 0.000 1.094 4 A CA -0.485 51.560 52.037 0.013 0.000 0.718 4 A CB 1.837 20.846 19.000 0.014 0.000 1.307 4 A HN 0.886 nan 8.150 nan 0.000 0.408 5 R N 0.732 121.237 120.500 0.008 0.000 2.480 5 R HA 0.841 5.181 4.340 0.001 0.000 0.306 5 R C -0.777 175.525 176.300 0.003 0.000 0.958 5 R CA 0.031 56.135 56.100 0.006 0.000 0.861 5 R CB 1.364 31.670 30.300 0.011 0.000 1.171 5 R HN 1.265 nan 8.270 nan 0.000 0.445 6 M N 1.752 121.350 119.600 -0.003 0.000 2.457 6 M HA 0.599 5.080 4.480 0.001 0.000 0.300 6 M C -0.983 175.316 176.300 -0.002 0.000 1.141 6 M CA -0.585 54.710 55.300 -0.008 0.000 0.901 6 M CB 2.825 35.409 32.600 -0.026 0.000 1.687 6 M HN 0.718 nan 8.290 nan 0.000 0.449 7 T N 3.450 118.008 114.554 0.006 0.000 2.792 7 T HA 0.624 4.975 4.350 0.001 0.000 0.280 7 T C -1.481 173.225 174.700 0.010 0.000 0.990 7 T CA -0.488 61.622 62.100 0.017 0.000 0.960 7 T CB 0.804 69.694 68.868 0.037 0.000 0.939 7 T HN 0.477 nan 8.240 nan 0.000 0.439 8 V N 5.697 125.611 119.914 -0.001 0.000 2.328 8 V HA 0.443 4.563 4.120 0.001 0.000 0.278 8 V C -0.290 175.800 176.094 -0.005 0.000 1.021 8 V CA -0.684 61.605 62.300 -0.019 0.000 0.838 8 V CB 1.179 32.976 31.823 -0.043 0.000 0.999 8 V HN 0.917 nan 8.190 nan 0.000 0.447 9 D N 4.080 124.489 120.400 0.014 0.000 2.492 9 D HA 0.389 5.030 4.640 0.001 0.000 0.248 9 D C 0.963 177.268 176.300 0.009 0.000 1.101 9 D CA -0.631 53.391 54.000 0.036 0.000 0.840 9 D CB 1.659 42.537 40.800 0.129 0.000 1.209 9 D HN 0.255 nan 8.370 nan 0.000 0.524 10 K N 2.393 122.759 120.400 -0.057 0.000 2.148 10 K HA -0.059 4.262 4.320 0.001 0.000 0.204 10 K C 0.360 176.953 176.600 -0.012 0.000 1.050 10 K CA 0.838 57.060 56.287 -0.108 0.000 0.942 10 K CB 0.002 32.347 32.500 -0.258 0.000 0.724 10 K HN 0.426 nan 8.250 nan 0.000 0.446 11 D N -0.244 120.169 120.400 0.022 0.000 2.371 11 D HA -0.107 4.533 4.640 0.001 0.000 0.234 11 D C -0.210 176.174 176.300 0.141 0.000 1.049 11 D CA 0.540 54.573 54.000 0.054 0.000 0.907 11 D CB -0.179 40.636 40.800 0.025 0.000 0.891 11 D HN 0.098 nan 8.370 nan 0.000 0.531 12 Y N 1.178 121.467 120.300 -0.019 0.000 2.584 12 Y HA 0.339 4.890 4.550 0.000 0.000 0.358 12 Y C -0.286 175.612 175.900 -0.003 0.000 1.028 12 Y CA -1.401 56.693 58.100 -0.010 0.000 1.148 12 Y CB -0.543 37.908 38.460 -0.014 0.000 1.126 12 Y HN -0.331 nan 8.280 nan 0.000 0.658 13 K N 2.502 122.976 120.400 0.123 0.000 2.149 13 K HA 0.312 4.632 4.320 0.001 0.000 0.245 13 K C 0.610 177.187 176.600 -0.039 0.000 1.024 13 K CA 0.000 56.300 56.287 0.021 0.000 0.899 13 K CB 1.250 33.786 32.500 0.060 0.000 1.038 13 K HN 0.607 nan 8.250 nan 0.000 0.496 14 I N -0.431 120.106 120.570 -0.055 0.000 4.197 14 I HA 0.222 4.392 4.170 0.001 0.000 0.307 14 I C -0.462 175.650 176.117 -0.010 0.000 1.236 14 I CA 0.073 61.339 61.300 -0.056 0.000 1.321 14 I CB 0.979 38.907 38.000 -0.119 0.000 1.309 14 I HN 0.705 nan 8.210 nan 0.000 0.450 15 A N 0.676 123.494 122.820 -0.002 0.000 2.481 15 A HA 0.297 4.617 4.320 0.001 0.000 0.295 15 A C -1.285 176.306 177.584 0.013 0.000 0.986 15 A CA -0.568 51.475 52.037 0.011 0.000 0.617 15 A CB 0.451 19.455 19.000 0.008 0.000 1.364 15 A HN 0.107 nan 8.150 nan 0.000 0.452 16 E N 0.643 120.850 120.200 0.010 0.000 2.259 16 E HA 0.554 4.904 4.350 0.001 0.000 0.281 16 E C -0.747 175.847 176.600 -0.010 0.000 1.027 16 E CA -0.505 55.900 56.400 0.008 0.000 0.838 16 E CB 0.609 30.313 29.700 0.007 0.000 1.066 16 E HN 0.472 nan 8.360 nan 0.000 0.401 17 I N 4.213 124.783 120.570 -0.001 0.000 2.683 17 I HA -0.081 4.089 4.170 0.001 0.000 0.286 17 I C 0.419 176.519 176.117 -0.028 0.000 1.175 17 I CA 0.768 62.056 61.300 -0.021 0.000 1.429 17 I CB 0.477 38.494 38.000 0.029 0.000 1.371 17 I HN 0.554 nan 8.210 nan 0.000 0.569 18 D N 6.843 127.201 120.400 -0.070 0.000 2.280 18 D HA 0.045 4.686 4.640 0.001 0.000 0.243 18 D C 1.045 177.305 176.300 -0.068 0.000 1.129 18 D CA -0.382 53.582 54.000 -0.060 0.000 0.848 18 D CB 1.110 41.866 40.800 -0.073 0.000 1.107 18 D HN 0.576 nan 8.370 nan 0.000 0.471 19 K N 3.537 123.940 120.400 0.005 0.000 2.218 19 K HA -0.171 4.149 4.320 0.001 0.000 0.205 19 K C 1.277 177.898 176.600 0.036 0.000 1.046 19 K CA 0.905 57.243 56.287 0.084 0.000 0.933 19 K CB 0.024 32.580 32.500 0.092 0.000 0.728 19 K HN 0.291 nan 8.250 nan 0.000 0.454 20 R N 1.195 121.682 120.500 -0.022 0.000 2.328 20 R HA -0.007 4.333 4.340 0.001 0.000 0.207 20 R C 2.216 178.472 176.300 -0.074 0.000 1.056 20 R CA 1.116 57.200 56.100 -0.027 0.000 1.016 20 R CB -0.568 29.709 30.300 -0.038 0.000 0.872 20 R HN 0.553 nan 8.270 nan 0.000 0.471 21 I N -3.266 117.171 120.570 -0.222 0.000 3.001 21 I HA -0.116 4.055 4.170 0.001 0.000 0.268 21 I C 0.266 176.151 176.117 -0.387 0.000 1.267 21 I CA 0.979 62.074 61.300 -0.342 0.000 1.472 21 I CB -0.014 37.684 38.000 -0.502 0.000 1.089 21 I HN -0.068 nan 8.210 nan 0.000 0.468 22 Y N 2.603 122.900 120.300 -0.006 0.000 2.811 22 Y HA 0.581 5.131 4.550 0.000 0.000 0.330 22 Y C 1.297 177.331 175.900 0.222 0.000 1.081 22 Y CA -0.856 57.239 58.100 -0.009 0.000 1.408 22 Y CB -0.413 37.932 38.460 -0.192 0.000 1.235 22 Y HN 0.099 nan 8.280 nan 0.000 0.529 23 G N -0.612 108.360 108.800 0.287 0.000 2.547 23 G HA2 0.488 4.448 3.960 0.001 0.000 0.291 23 G HA3 0.488 4.448 3.960 0.001 0.000 0.291 23 G C -0.276 174.776 174.900 0.254 0.000 1.211 23 G CA -0.165 45.074 45.100 0.232 0.000 0.950 23 G HN 0.258 nan 8.290 nan 0.000 0.504 24 S N -1.809 113.975 115.700 0.140 0.000 3.144 24 S HA 0.805 5.276 4.470 0.001 0.000 0.325 24 S C -2.087 172.627 174.600 0.190 0.000 1.161 24 S CA -0.502 57.739 58.200 0.069 0.000 0.920 24 S CB 1.281 64.423 63.200 -0.098 0.000 1.340 24 S HN 1.094 nan 8.310 nan 0.000 0.681 25 F N 1.170 121.087 119.950 -0.056 0.000 2.639 25 F HA 0.622 5.150 4.527 0.000 0.000 0.326 25 F C -2.174 173.591 175.800 -0.059 0.000 1.150 25 F CA -0.730 57.251 58.000 -0.033 0.000 1.057 25 F CB 0.804 39.762 39.000 -0.070 0.000 1.300 25 F HN 0.310 nan 8.300 nan 0.000 0.486 26 V N 5.708 125.525 119.914 -0.163 0.000 2.443 26 V HA 0.446 4.567 4.120 0.001 0.000 0.293 26 V C -0.493 175.268 176.094 -0.555 0.000 1.021 26 V CA -0.660 61.389 62.300 -0.418 0.000 0.848 26 V CB 1.601 33.353 31.823 -0.119 0.000 0.998 26 V HN 0.796 nan 8.190 nan 0.000 0.424 27 E N 2.732 122.459 120.200 -0.789 0.000 2.212 27 E HA 0.376 4.726 4.350 0.001 0.000 0.270 27 E C -0.356 175.860 176.600 -0.640 0.000 0.956 27 E CA -0.824 55.220 56.400 -0.593 0.000 0.825 27 E CB 1.015 30.415 29.700 -0.499 0.000 1.167 27 E HN 0.739 nan 8.360 nan 0.000 0.400 28 H N 3.927 122.481 119.070 -0.859 0.000 3.460 28 H HA 0.133 4.690 4.556 0.001 0.000 0.238 28 H C -0.538 174.448 175.328 -0.569 0.000 1.752 28 H CA 0.237 55.741 56.048 -0.907 0.000 1.503 28 H CB -0.340 28.400 29.762 -1.703 0.000 1.830 28 H HN 0.235 nan 8.280 nan 0.000 0.614 29 L N 0.855 121.794 121.223 -0.472 0.000 2.410 29 L HA 0.401 4.742 4.340 0.001 0.000 0.270 29 L C 0.931 177.517 176.870 -0.473 0.000 0.983 29 L CA -0.243 54.230 54.840 -0.613 0.000 0.822 29 L CB 1.436 42.917 42.059 -0.962 0.000 1.285 29 L HN 0.665 nan 8.230 nan 0.000 0.409 30 G N 4.217 112.806 108.800 -0.350 0.000 2.684 30 G HA2 -0.376 3.584 3.960 0.001 0.000 0.342 30 G HA3 -0.376 3.584 3.960 0.001 0.000 0.342 30 G C 0.578 175.371 174.900 -0.178 0.000 1.316 30 G CA 0.767 45.728 45.100 -0.231 0.000 0.994 30 G HN 0.767 nan 8.290 nan 0.000 0.541 31 R N 1.304 121.684 120.500 -0.200 0.000 2.391 31 R HA 0.450 4.790 4.340 0.001 0.000 0.249 31 R C 2.493 178.652 176.300 -0.235 0.000 0.957 31 R CA 0.656 56.659 56.100 -0.161 0.000 1.093 31 R CB -0.078 30.143 30.300 -0.132 0.000 1.156 31 R HN 0.522 nan 8.270 nan 0.000 0.526 32 A N 0.666 123.289 122.820 -0.328 0.000 1.877 32 A HA -0.098 4.222 4.320 0.001 0.000 0.216 32 A C 2.011 179.337 177.584 -0.430 0.000 1.186 32 A CA 1.397 53.195 52.037 -0.398 0.000 0.620 32 A CB -0.044 18.660 19.000 -0.493 0.000 0.822 32 A HN 0.126 nan 8.150 nan 0.000 0.443 33 V N -2.106 117.506 119.914 -0.504 0.000 2.635 33 V HA 0.063 4.183 4.120 0.001 0.000 0.233 33 V C 0.504 176.320 176.094 -0.462 0.000 1.097 33 V CA 0.257 62.170 62.300 -0.646 0.000 1.134 33 V CB -0.763 30.414 31.823 -1.077 0.000 0.841 33 V HN 0.495 nan 8.190 nan 0.000 0.496 34 Y N 1.495 121.735 120.300 -0.100 0.000 2.402 34 Y HA 0.355 4.906 4.550 0.000 0.000 0.333 34 Y C 0.823 176.690 175.900 -0.056 0.000 1.076 34 Y CA 0.041 58.141 58.100 -0.000 0.000 1.299 34 Y CB -0.279 38.195 38.460 0.023 0.000 1.197 34 Y HN 0.481 nan 8.280 nan 0.000 0.517 35 D N 0.462 120.905 120.400 0.071 0.000 2.800 35 D HA -0.168 4.473 4.640 0.001 0.000 0.232 35 D C 0.484 176.751 176.300 -0.056 0.000 1.137 35 D CA 1.443 55.441 54.000 -0.004 0.000 0.718 35 D CB -0.918 39.886 40.800 0.007 0.000 1.084 35 D HN 0.849 nan 8.370 nan 0.000 0.432 36 G N -0.807 107.940 108.800 -0.088 0.000 2.710 36 G HA2 0.356 4.316 3.960 0.001 0.000 0.198 36 G HA3 0.356 4.316 3.960 0.001 0.000 0.198 36 G C 1.004 175.839 174.900 -0.108 0.000 1.797 36 G CA -0.033 44.986 45.100 -0.135 0.000 0.759 36 G HN 0.498 nan 8.290 nan 0.000 0.808 37 L N -1.391 119.723 121.223 -0.182 0.000 2.291 37 L HA 0.401 4.741 4.340 0.001 0.000 0.214 37 L C 0.814 177.713 176.870 0.048 0.000 1.120 37 L CA 0.775 55.528 54.840 -0.146 0.000 0.799 37 L CB -0.565 41.122 42.059 -0.620 0.000 0.925 37 L HN 0.205 nan 8.230 nan 0.000 0.446 38 Y N 1.810 122.033 120.300 -0.129 0.000 2.345 38 Y HA 0.570 5.121 4.550 0.001 0.000 0.331 38 Y C -0.882 175.012 175.900 -0.011 0.000 0.959 38 Y CA -1.017 57.071 58.100 -0.019 0.000 1.204 38 Y CB 0.812 39.213 38.460 -0.098 0.000 1.135 38 Y HN 0.226 nan 8.280 nan 0.000 0.477 39 Q N 8.141 127.705 119.800 -0.394 0.000 3.255 39 Q HA 0.215 4.555 4.340 0.001 0.000 0.231 39 Q C -2.375 173.405 176.000 -0.367 0.000 0.935 39 Q CA -1.836 53.760 55.803 -0.344 0.000 0.714 39 Q CB 1.678 30.333 28.738 -0.139 0.000 1.345 39 Q HN 0.488 nan 8.270 nan 0.000 0.463 40 P HA -0.244 nan 4.420 nan 0.000 0.215 40 P C 1.372 178.568 177.300 -0.173 0.000 1.163 40 P CA 1.915 64.811 63.100 -0.340 0.000 0.894 40 P CB 0.199 31.723 31.700 -0.293 0.000 0.791 41 G N -1.354 107.362 108.800 -0.139 0.000 2.443 41 G HA2 -0.181 3.779 3.960 0.001 0.000 0.219 41 G HA3 -0.181 3.779 3.960 0.001 0.000 0.219 41 G C 0.927 175.787 174.900 -0.067 0.000 1.131 41 G CA 0.039 45.090 45.100 -0.082 0.000 0.775 41 G HN 0.283 nan 8.290 nan 0.000 0.547 42 N N 0.821 119.475 118.700 -0.076 0.000 2.407 42 N HA -0.022 4.718 4.740 0.001 0.000 0.250 42 N C 1.854 177.344 175.510 -0.034 0.000 1.236 42 N CA 0.664 53.684 53.050 -0.050 0.000 0.879 42 N CB 1.195 39.653 38.487 -0.049 0.000 1.088 42 N HN 0.160 nan 8.380 nan 0.000 0.450 43 S N 2.715 118.402 115.700 -0.021 0.000 2.453 43 S HA -0.035 4.435 4.470 0.001 0.000 0.231 43 S C 1.061 175.659 174.600 -0.004 0.000 1.005 43 S CA 0.794 58.987 58.200 -0.012 0.000 0.949 43 S CB 0.050 63.244 63.200 -0.009 0.000 0.774 43 S HN 0.546 nan 8.310 nan 0.000 0.510 44 K N 1.786 122.186 120.400 0.000 0.000 2.522 44 K HA 0.328 4.648 4.320 0.001 0.000 0.194 44 K C -0.099 176.517 176.600 0.026 0.000 1.026 44 K CA -0.074 56.221 56.287 0.013 0.000 1.119 44 K CB 0.256 32.766 32.500 0.016 0.000 0.856 44 K HN 0.226 nan 8.250 nan 0.000 0.513 45 S N 1.082 116.790 115.700 0.014 0.000 2.651 45 S HA 0.235 4.705 4.470 0.001 0.000 0.291 45 S C -0.399 174.216 174.600 0.026 0.000 1.141 45 S CA -1.134 57.081 58.200 0.025 0.000 1.027 45 S CB 1.258 64.442 63.200 -0.027 0.000 1.043 45 S HN 0.308 nan 8.310 nan 0.000 0.530 46 D N 0.075 120.506 120.400 0.050 0.000 2.529 46 D HA 0.262 4.902 4.640 0.001 0.000 0.273 46 D C 0.604 176.901 176.300 -0.005 0.000 1.197 46 D CA -0.697 53.329 54.000 0.042 0.000 1.070 46 D CB 0.001 40.861 40.800 0.099 0.000 1.134 46 D HN 0.405 nan 8.370 nan 0.000 0.590 47 E N -0.869 119.335 120.200 0.006 0.000 2.455 47 E HA -0.110 4.241 4.350 0.001 0.000 0.202 47 E C 0.298 176.872 176.600 -0.045 0.000 1.045 47 E CA 1.081 57.475 56.400 -0.010 0.000 0.872 47 E CB -0.340 29.367 29.700 0.012 0.000 0.792 47 E HN 0.361 nan 8.360 nan 0.000 0.542 48 D N -0.781 119.553 120.400 -0.110 0.000 2.417 48 D HA 0.167 4.807 4.640 0.001 0.000 0.207 48 D C 1.094 177.151 176.300 -0.405 0.000 1.075 48 D CA 0.798 54.630 54.000 -0.281 0.000 0.851 48 D CB 0.801 41.345 40.800 -0.426 0.000 0.976 48 D HN 0.332 nan 8.370 nan 0.000 0.505 49 G N 0.762 109.387 108.800 -0.292 0.000 2.144 49 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 49 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 49 G C -0.123 174.676 174.900 -0.170 0.000 0.988 49 G CA -0.537 44.405 45.100 -0.263 0.000 0.659 49 G HN 0.114 nan 8.290 nan 0.000 0.522 50 F N 1.606 121.649 119.950 0.155 0.000 2.396 50 F HA 0.587 5.114 4.527 0.000 0.000 0.343 50 F C 1.231 177.099 175.800 0.112 0.000 1.104 50 F CA -1.403 56.713 58.000 0.193 0.000 1.161 50 F CB 0.717 39.911 39.000 0.323 0.000 1.146 50 F HN -0.132 nan 8.300 nan 0.000 0.522 51 R N 3.340 124.017 120.500 0.295 0.000 2.399 51 R HA 0.036 4.376 4.340 0.001 0.000 0.324 51 R C 1.101 177.496 176.300 0.159 0.000 1.030 51 R CA 0.058 56.254 56.100 0.160 0.000 0.984 51 R CB 0.242 30.604 30.300 0.103 0.000 0.961 51 R HN 0.763 nan 8.270 nan 0.000 0.433 52 K N 1.558 122.024 120.400 0.109 0.000 2.103 52 K HA -0.190 4.130 4.320 0.001 0.000 0.207 52 K C 1.281 177.907 176.600 0.043 0.000 1.048 52 K CA 2.013 58.344 56.287 0.075 0.000 0.930 52 K CB 0.140 32.671 32.500 0.052 0.000 0.716 52 K HN 0.576 nan 8.250 nan 0.000 0.444 53 D N 0.402 120.825 120.400 0.039 0.000 2.144 53 D HA -0.139 4.502 4.640 0.001 0.000 0.199 53 D C 1.842 178.155 176.300 0.022 0.000 0.984 53 D CA 0.914 54.928 54.000 0.023 0.000 0.834 53 D CB -0.673 40.138 40.800 0.019 0.000 0.955 53 D HN -0.029 nan 8.370 nan 0.000 0.465 54 V N 1.034 120.976 119.914 0.047 0.000 2.295 54 V HA -0.216 3.904 4.120 0.001 0.000 0.246 54 V C 2.734 178.854 176.094 0.043 0.000 1.049 54 V CA 1.318 63.657 62.300 0.064 0.000 1.024 54 V CB -0.494 31.401 31.823 0.120 0.000 0.648 54 V HN 0.173 nan 8.190 nan 0.000 0.447 55 I N -0.203 120.377 120.570 0.016 0.000 2.194 55 I HA -0.240 3.930 4.170 0.001 0.000 0.246 55 I C 2.604 178.644 176.117 -0.129 0.000 1.093 55 I CA 1.381 62.591 61.300 -0.149 0.000 1.355 55 I CB -0.396 37.502 38.000 -0.171 0.000 1.046 55 I HN 0.326 nan 8.210 nan 0.000 0.413 56 E N 0.569 120.736 120.200 -0.055 0.000 2.110 56 E HA -0.145 4.205 4.350 0.001 0.000 0.193 56 E C 2.320 178.915 176.600 -0.007 0.000 0.988 56 E CA 1.144 57.523 56.400 -0.035 0.000 0.804 56 E CB -0.280 29.413 29.700 -0.012 0.000 0.745 56 E HN 0.521 nan 8.360 nan 0.000 0.458 57 L N 0.153 121.386 121.223 0.015 0.000 2.109 57 L HA -0.091 4.250 4.340 0.001 0.000 0.207 57 L C 2.440 179.364 176.870 0.090 0.000 1.086 57 L CA 0.432 55.331 54.840 0.098 0.000 0.760 57 L CB -0.339 41.772 42.059 0.086 0.000 0.910 57 L HN -0.022 nan 8.230 nan 0.000 0.437 58 V N 0.079 119.975 119.914 -0.031 0.000 2.295 58 V HA -0.286 3.834 4.120 0.001 0.000 0.246 58 V C 2.471 178.483 176.094 -0.137 0.000 1.049 58 V CA 1.716 63.941 62.300 -0.125 0.000 1.024 58 V CB -0.552 31.136 31.823 -0.225 0.000 0.648 58 V HN 0.393 nan 8.190 nan 0.000 0.447 59 K N -0.151 120.166 120.400 -0.139 0.000 2.074 59 K HA -0.295 4.025 4.320 0.001 0.000 0.209 59 K C 2.252 178.821 176.600 -0.053 0.000 1.048 59 K CA 2.140 58.360 56.287 -0.112 0.000 0.926 59 K CB -0.223 32.215 32.500 -0.104 0.000 0.713 59 K HN 0.559 nan 8.250 nan 0.000 0.444 60 E N 0.821 121.026 120.200 0.008 0.000 2.110 60 E HA -0.154 4.196 4.350 0.001 0.000 0.193 60 E C 1.908 178.528 176.600 0.033 0.000 0.988 60 E CA 0.750 57.201 56.400 0.085 0.000 0.804 60 E CB 0.068 29.904 29.700 0.227 0.000 0.745 60 E HN 0.239 nan 8.360 nan 0.000 0.458 61 L N 0.723 121.889 121.223 -0.095 0.000 2.291 61 L HA -0.085 4.255 4.340 0.001 0.000 0.214 61 L C 0.569 177.407 176.870 -0.053 0.000 1.120 61 L CA 0.183 54.876 54.840 -0.246 0.000 0.799 61 L CB -0.271 41.490 42.059 -0.497 0.000 0.925 61 L HN 0.299 nan 8.230 nan 0.000 0.446 62 N N 0.798 119.461 118.700 -0.060 0.000 2.501 62 N HA -0.180 4.560 4.740 0.001 0.000 0.291 62 N C -1.221 174.303 175.510 0.023 0.000 1.304 62 N CA 0.236 53.259 53.050 -0.045 0.000 0.686 62 N CB -0.609 37.836 38.487 -0.070 0.000 0.924 62 N HN -0.047 nan 8.380 nan 0.000 0.533 63 V N 6.062 125.980 119.914 0.006 0.000 2.349 63 V HA 0.324 4.445 4.120 0.001 0.000 0.284 63 V C -1.098 175.005 176.094 0.015 0.000 1.014 63 V CA -0.955 61.388 62.300 0.071 0.000 0.826 63 V CB 1.798 33.639 31.823 0.031 0.000 1.009 63 V HN 0.403 nan 8.190 nan 0.000 0.431 64 P HA 0.118 nan 4.420 nan 0.000 0.231 64 P C 0.203 177.500 177.300 -0.003 0.000 1.168 64 P CA 0.756 63.860 63.100 0.007 0.000 0.779 64 P CB 1.160 32.878 31.700 0.031 0.000 0.844 65 I N -0.819 119.765 120.570 0.023 0.000 2.692 65 I HA 0.408 4.578 4.170 0.001 0.000 0.293 65 I C -1.626 174.527 176.117 0.059 0.000 1.200 65 I CA -1.450 59.862 61.300 0.021 0.000 1.036 65 I CB 2.346 40.352 38.000 0.009 0.000 1.258 65 I HN -0.364 nan 8.210 nan 0.000 0.421 66 I N 6.580 127.201 120.570 0.085 0.000 2.499 66 I HA 0.449 4.619 4.170 0.001 0.000 0.288 66 I C -0.275 175.978 176.117 0.227 0.000 1.048 66 I CA -0.624 60.785 61.300 0.182 0.000 1.062 66 I CB 1.913 40.071 38.000 0.262 0.000 1.238 66 I HN 0.526 nan 8.210 nan 0.000 0.426 67 R N 5.353 125.995 120.500 0.237 0.000 2.491 67 R HA 0.383 4.724 4.340 0.001 0.000 0.283 67 R C -1.767 174.791 176.300 0.430 0.000 1.072 67 R CA 0.132 56.356 56.100 0.206 0.000 1.048 67 R CB 0.667 30.937 30.300 -0.050 0.000 0.983 67 R HN 0.641 nan 8.270 nan 0.000 0.450 68 Y N 5.056 125.421 120.300 0.108 0.000 2.521 68 Y HA 0.277 4.828 4.550 0.000 0.000 0.326 68 Y C -2.468 173.430 175.900 -0.004 0.000 1.176 68 Y CA -1.751 56.332 58.100 -0.029 0.000 1.079 68 Y CB 2.367 40.628 38.460 -0.331 0.000 1.341 68 Y HN 0.553 nan 8.280 nan 0.000 0.456 69 P HA 0.413 nan 4.420 nan 0.000 0.269 69 P C -0.218 176.988 177.300 -0.157 0.000 1.478 69 P CA 0.643 63.143 63.100 -1.001 0.000 1.045 69 P CB 0.875 31.820 31.700 -1.258 0.000 1.512 70 G N -1.853 107.057 108.800 0.184 0.000 2.313 70 G HA2 0.488 4.448 3.960 0.001 0.000 0.296 70 G HA3 0.488 4.448 3.960 0.001 0.000 0.296 70 G C -0.791 174.288 174.900 0.298 0.000 1.356 70 G CA 0.155 45.509 45.100 0.424 0.000 0.833 70 G HN 0.281 nan 8.290 nan 0.000 0.552 71 G N -1.069 107.924 108.800 0.323 0.000 2.692 71 G HA2 -0.068 3.892 3.960 0.001 0.000 0.686 71 G HA3 -0.068 3.892 3.960 0.001 0.000 0.686 71 G C 0.620 175.778 174.900 0.430 0.000 1.243 71 G CA 0.389 45.807 45.100 0.529 0.000 0.782 71 G HN 1.304 nan 8.290 nan 0.000 0.625 72 N N -0.421 118.566 118.700 0.479 0.000 2.405 72 N HA -0.179 4.561 4.740 0.001 0.000 0.189 72 N C 1.923 177.581 175.510 0.246 0.000 1.021 72 N CA 1.663 54.896 53.050 0.305 0.000 0.891 72 N CB -0.095 38.504 38.487 0.188 0.000 0.955 72 N HN 0.555 nan 8.380 nan 0.000 0.443 73 F N 1.097 121.212 119.950 0.275 0.000 2.146 73 F HA -0.088 4.439 4.527 0.000 0.000 0.298 73 F C 2.115 177.969 175.800 0.090 0.000 1.096 73 F CA 0.782 58.897 58.000 0.191 0.000 1.275 73 F CB -0.437 38.667 39.000 0.173 0.000 1.008 73 F HN -0.164 nan 8.300 nan 0.000 0.480 74 V N -0.575 119.368 119.914 0.048 0.000 2.809 74 V HA -0.182 3.938 4.120 0.001 0.000 0.256 74 V C 2.189 178.248 176.094 -0.059 0.000 1.080 74 V CA 2.073 64.362 62.300 -0.018 0.000 1.102 74 V CB -0.543 31.358 31.823 0.130 0.000 0.705 74 V HN 0.428 nan 8.190 nan 0.000 0.475 75 S N 0.743 116.414 115.700 -0.048 0.000 2.469 75 S HA -0.110 4.360 4.470 0.001 0.000 0.238 75 S C 1.440 175.965 174.600 -0.124 0.000 0.998 75 S CA 1.524 59.687 58.200 -0.062 0.000 0.957 75 S CB -0.318 62.858 63.200 -0.040 0.000 0.764 75 S HN 0.714 nan 8.310 nan 0.000 0.514 76 N N -0.148 118.449 118.700 -0.171 0.000 2.466 76 N HA 0.142 4.882 4.740 0.001 0.000 0.272 76 N C -1.223 174.161 175.510 -0.210 0.000 1.455 76 N CA -0.388 52.554 53.050 -0.179 0.000 0.875 76 N CB 0.204 38.666 38.487 -0.042 0.000 1.372 76 N HN 0.229 nan 8.380 nan 0.000 0.492 77 Y N 0.633 120.644 120.300 -0.482 0.000 2.320 77 Y HA 0.507 5.058 4.550 0.001 0.000 0.334 77 Y C -1.244 174.436 175.900 -0.366 0.000 1.055 77 Y CA -1.078 56.770 58.100 -0.420 0.000 1.143 77 Y CB 0.288 38.417 38.460 -0.550 0.000 1.193 77 Y HN -0.083 nan 8.280 nan 0.000 0.477 78 F N 6.981 126.588 119.950 -0.572 0.000 2.361 78 F HA 0.175 4.702 4.527 0.000 0.000 0.364 78 F C 0.680 175.914 175.800 -0.944 0.000 1.117 78 F CA -1.029 56.625 58.000 -0.576 0.000 1.071 78 F CB 0.609 39.394 39.000 -0.359 0.000 1.188 78 F HN 0.779 nan 8.300 nan 0.000 0.464 79 W N 2.024 122.914 121.300 -0.682 0.000 2.425 79 W HA -0.068 4.592 4.660 0.000 0.000 0.277 79 W C 0.532 176.914 176.519 -0.228 0.000 1.231 79 W CA 0.923 57.927 57.345 -0.568 0.000 1.248 79 W CB -0.613 28.730 29.460 -0.196 0.000 1.117 79 W HN 0.472 nan 8.180 nan 0.000 0.568 80 E N 1.160 120.775 120.200 -0.975 0.000 2.333 80 E HA -0.164 4.186 4.350 0.001 0.000 0.198 80 E C 1.381 177.800 176.600 -0.301 0.000 1.007 80 E CA 1.603 57.523 56.400 -0.801 0.000 0.845 80 E CB -0.399 28.801 29.700 -0.832 0.000 0.766 80 E HN 0.144 nan 8.360 nan 0.000 0.507 81 D N -0.607 119.664 120.400 -0.216 0.000 2.312 81 D HA -0.026 4.614 4.640 0.001 0.000 0.211 81 D C 1.642 177.987 176.300 0.075 0.000 0.964 81 D CA 1.013 54.979 54.000 -0.058 0.000 0.877 81 D CB -0.089 40.700 40.800 -0.017 0.000 0.924 81 D HN 0.299 nan 8.370 nan 0.000 0.515 82 G N 0.206 109.097 108.800 0.151 0.000 3.126 82 G HA2 0.273 4.233 3.960 0.001 0.000 0.224 82 G HA3 0.273 4.233 3.960 0.001 0.000 0.224 82 G C 0.609 175.634 174.900 0.208 0.000 1.142 82 G CA 0.116 45.372 45.100 0.260 0.000 0.759 82 G HN 0.213 nan 8.290 nan 0.000 0.550 83 V N -3.551 116.434 119.914 0.118 0.000 3.158 83 V HA 0.988 5.108 4.120 0.001 0.000 0.315 83 V C 0.590 176.561 176.094 -0.205 0.000 1.148 83 V CA -0.465 61.871 62.300 0.060 0.000 1.042 83 V CB 0.987 32.953 31.823 0.238 0.000 1.101 83 V HN 1.325 nan 8.190 nan 0.000 0.448 84 G N 0.880 109.275 108.800 -0.674 0.000 2.829 84 G HA2 -0.048 3.912 3.960 0.001 0.000 0.628 84 G HA3 -0.048 3.912 3.960 0.001 0.000 0.628 84 G C -2.746 172.032 174.900 -0.204 0.000 1.412 84 G CA -0.415 44.265 45.100 -0.699 0.000 0.864 84 G HN 1.051 nan 8.290 nan 0.000 0.544 85 P HA 0.037 nan 4.420 nan 0.000 0.259 85 P C 1.187 178.486 177.300 -0.001 0.000 1.155 85 P CA 0.527 63.622 63.100 -0.007 0.000 0.759 85 P CB 0.705 32.414 31.700 0.015 0.000 0.753 86 V N 3.157 123.084 119.914 0.022 0.000 2.720 86 V HA -0.233 3.888 4.120 0.001 0.000 0.256 86 V C 1.554 177.668 176.094 0.034 0.000 1.082 86 V CA 2.024 64.348 62.300 0.039 0.000 1.101 86 V CB -0.758 31.101 31.823 0.061 0.000 0.693 86 V HN 0.472 nan 8.190 nan 0.000 0.479 87 E N -0.389 119.826 120.200 0.025 0.000 2.435 87 E HA -0.037 4.313 4.350 0.001 0.000 0.195 87 E C 1.208 177.814 176.600 0.009 0.000 1.029 87 E CA 0.757 57.169 56.400 0.019 0.000 0.865 87 E CB -0.135 29.575 29.700 0.017 0.000 0.833 87 E HN 0.578 nan 8.360 nan 0.000 0.510 88 D N 0.385 120.788 120.400 0.005 0.000 2.369 88 D HA 0.060 4.701 4.640 0.001 0.000 0.211 88 D C -0.072 176.221 176.300 -0.011 0.000 1.077 88 D CA -0.006 53.990 54.000 -0.006 0.000 0.842 88 D CB 0.269 41.064 40.800 -0.007 0.000 0.947 88 D HN 0.049 nan 8.370 nan 0.000 0.509 89 R N 2.337 122.838 120.500 0.003 0.000 2.267 89 R HA 0.255 4.596 4.340 0.001 0.000 0.319 89 R C -2.203 174.103 176.300 0.010 0.000 1.067 89 R CA -1.180 54.926 56.100 0.011 0.000 0.936 89 R CB 0.679 31.005 30.300 0.043 0.000 1.006 89 R HN 0.004 nan 8.270 nan 0.000 0.452 90 P HA 0.171 nan 4.420 nan 0.000 0.278 90 P C -0.785 176.522 177.300 0.011 0.000 1.238 90 P CA -0.505 62.586 63.100 -0.015 0.000 0.794 90 P CB 0.893 32.564 31.700 -0.048 0.000 0.955 91 R N 2.148 122.649 120.500 0.000 0.000 2.389 91 R HA 0.377 4.717 4.340 0.001 0.000 0.295 91 R C 0.465 176.769 176.300 0.007 0.000 1.075 91 R CA -0.234 55.873 56.100 0.012 0.000 1.005 91 R CB 0.473 30.769 30.300 -0.007 0.000 0.987 91 R HN 0.357 nan 8.270 nan 0.000 0.452 92 R N 2.395 122.927 120.500 0.053 0.000 2.807 92 R HA 0.374 4.715 4.340 0.001 0.000 0.276 92 R C -0.652 175.694 176.300 0.077 0.000 0.979 92 R CA -1.061 55.071 56.100 0.053 0.000 0.928 92 R CB 1.220 31.588 30.300 0.113 0.000 1.191 92 R HN 0.488 nan 8.270 nan 0.000 0.471 93 L N 1.926 123.161 121.223 0.019 0.000 2.361 93 L HA 0.123 4.463 4.340 0.001 0.000 0.278 93 L C 0.347 177.355 176.870 0.229 0.000 1.113 93 L CA -0.279 54.589 54.840 0.048 0.000 0.849 93 L CB 0.232 42.196 42.059 -0.158 0.000 1.155 93 L HN 0.449 nan 8.230 nan 0.000 0.452 94 D N 3.817 124.452 120.400 0.392 0.000 2.380 94 D HA 0.216 4.856 4.640 0.001 0.000 0.230 94 D C 0.848 177.388 176.300 0.400 0.000 1.154 94 D CA -0.288 53.946 54.000 0.390 0.000 0.859 94 D CB 0.979 42.090 40.800 0.520 0.000 1.045 94 D HN 0.373 nan 8.370 nan 0.000 0.495 95 L N 3.157 124.535 121.223 0.258 0.000 2.270 95 L HA 0.084 4.424 4.340 0.001 0.000 0.210 95 L C 2.356 179.238 176.870 0.019 0.000 1.104 95 L CA 0.554 55.518 54.840 0.206 0.000 0.804 95 L CB -0.526 41.626 42.059 0.154 0.000 0.937 95 L HN 0.444 nan 8.230 nan 0.000 0.450 96 A N 0.392 123.168 122.820 -0.072 0.000 1.908 96 A HA -0.203 4.118 4.320 0.001 0.000 0.218 96 A C 1.443 178.612 177.584 -0.693 0.000 1.181 96 A CA 1.768 53.540 52.037 -0.442 0.000 0.627 96 A CB -0.673 18.012 19.000 -0.526 0.000 0.818 96 A HN 0.646 nan 8.150 nan 0.000 0.445 97 W N -2.366 119.002 121.300 0.114 0.000 2.653 97 W HA 0.508 5.168 4.660 0.000 0.000 0.391 97 W C 0.334 176.823 176.519 -0.051 0.000 0.962 97 W CA -0.605 56.764 57.345 0.040 0.000 1.900 97 W CB 0.489 29.984 29.460 0.059 0.000 1.176 97 W HN 0.036 nan 8.180 nan 0.000 0.582 98 K N 1.098 121.488 120.400 -0.015 0.000 3.156 98 K HA -0.202 4.118 4.320 0.001 0.000 0.266 98 K C -0.567 175.912 176.600 -0.201 0.000 0.966 98 K CA 0.774 56.774 56.287 -0.479 0.000 0.719 98 K CB -1.771 30.298 32.500 -0.718 0.000 1.333 98 K HN 0.109 nan 8.250 nan 0.000 0.468 99 S N -0.229 115.628 115.700 0.261 0.000 2.638 99 S HA 0.661 5.131 4.470 0.001 0.000 0.302 99 S C -0.103 174.793 174.600 0.494 0.000 1.096 99 S CA -1.161 57.248 58.200 0.349 0.000 0.953 99 S CB 1.713 65.072 63.200 0.264 0.000 1.107 99 S HN 0.120 nan 8.310 nan 0.000 0.503 100 I N 2.224 123.000 120.570 0.345 0.000 2.342 100 I HA 0.367 4.537 4.170 0.001 0.000 0.291 100 I C 0.235 176.453 176.117 0.168 0.000 1.010 100 I CA -0.455 60.983 61.300 0.230 0.000 1.308 100 I CB 0.886 38.964 38.000 0.130 0.000 1.400 100 I HN 0.645 nan 8.210 nan 0.000 0.488 101 E N 9.817 130.134 120.200 0.196 0.000 2.046 101 E HA 0.340 4.690 4.350 0.001 0.000 0.279 101 E C -1.913 174.751 176.600 0.107 0.000 0.989 101 E CA -2.322 54.201 56.400 0.205 0.000 0.798 101 E CB 1.235 31.162 29.700 0.380 0.000 1.086 101 E HN 0.234 nan 8.360 nan 0.000 0.399 102 P HA -0.064 nan 4.420 nan 0.000 0.229 102 P C -0.543 176.805 177.300 0.080 0.000 1.160 102 P CA 0.375 63.451 63.100 -0.041 0.000 0.777 102 P CB 0.197 31.768 31.700 -0.215 0.000 0.814 103 N N -0.506 118.316 118.700 0.203 0.000 2.714 103 N HA -0.191 4.549 4.740 0.001 0.000 0.250 103 N C 0.813 176.480 175.510 0.261 0.000 1.117 103 N CA 0.771 53.990 53.050 0.281 0.000 0.719 103 N CB -1.951 36.673 38.487 0.229 0.000 1.081 103 N HN 0.448 nan 8.380 nan 0.000 0.557 104 Q N -0.392 119.585 119.800 0.295 0.000 2.369 104 Q HA 0.045 4.385 4.340 0.001 0.000 0.206 104 Q C 0.196 176.271 176.000 0.125 0.000 0.963 104 Q CA 0.790 56.738 55.803 0.241 0.000 0.894 104 Q CB 0.490 29.426 28.738 0.330 0.000 0.965 104 Q HN 0.175 nan 8.270 nan 0.000 0.475 105 V N 0.437 120.473 119.914 0.202 0.000 2.376 105 V HA 0.567 4.688 4.120 0.001 0.000 0.287 105 V C 0.218 176.494 176.094 0.304 0.000 1.015 105 V CA -0.571 61.763 62.300 0.057 0.000 0.834 105 V CB 1.276 32.950 31.823 -0.249 0.000 1.001 105 V HN 0.213 nan 8.190 nan 0.000 0.428 106 G N 2.912 111.888 108.800 0.294 0.000 3.211 106 G HA2 0.549 4.510 3.960 0.001 0.000 0.262 106 G HA3 0.549 4.510 3.960 0.001 0.000 0.262 106 G C 0.954 176.102 174.900 0.413 0.000 1.352 106 G CA -0.276 45.069 45.100 0.409 0.000 1.004 106 G HN 0.709 nan 8.290 nan 0.000 0.559 107 I N -1.404 119.446 120.570 0.467 0.000 2.194 107 I HA -0.182 3.988 4.170 0.001 0.000 0.246 107 I C 1.727 178.013 176.117 0.282 0.000 1.093 107 I CA 1.799 63.338 61.300 0.397 0.000 1.355 107 I CB -0.447 37.800 38.000 0.412 0.000 1.046 107 I HN 0.202 nan 8.210 nan 0.000 0.413 108 N N 1.302 120.232 118.700 0.384 0.000 2.223 108 N HA -0.163 4.577 4.740 0.001 0.000 0.185 108 N C 1.789 177.462 175.510 0.271 0.000 1.016 108 N CA 1.516 54.797 53.050 0.384 0.000 0.863 108 N CB -0.253 38.496 38.487 0.437 0.000 0.983 108 N HN 0.526 nan 8.380 nan 0.000 0.429 109 E N -0.125 120.225 120.200 0.249 0.000 2.046 109 E HA -0.008 4.343 4.350 0.001 0.000 0.190 109 E C 1.527 178.288 176.600 0.269 0.000 0.982 109 E CA 0.471 57.017 56.400 0.245 0.000 0.800 109 E CB -0.346 29.433 29.700 0.133 0.000 0.756 109 E HN 0.277 nan 8.360 nan 0.000 0.449 110 F N 0.739 120.663 119.950 -0.042 0.000 2.259 110 F HA -0.016 4.511 4.527 0.000 0.000 0.298 110 F C 2.020 177.714 175.800 -0.176 0.000 1.088 110 F CA 1.066 58.916 58.000 -0.251 0.000 1.358 110 F CB -0.325 38.211 39.000 -0.773 0.000 1.040 110 F HN 0.024 nan 8.300 nan 0.000 0.505 111 A N 1.060 123.821 122.820 -0.098 0.000 1.908 111 A HA -0.264 4.057 4.320 0.001 0.000 0.218 111 A C 2.231 179.736 177.584 -0.132 0.000 1.181 111 A CA 2.125 54.036 52.037 -0.211 0.000 0.627 111 A CB -0.849 17.880 19.000 -0.451 0.000 0.818 111 A HN 0.572 nan 8.150 nan 0.000 0.445 112 K N -2.385 118.016 120.400 0.001 0.000 2.296 112 K HA -0.147 4.173 4.320 0.001 0.000 0.200 112 K C 1.837 178.363 176.600 -0.124 0.000 1.048 112 K CA 1.100 57.410 56.287 0.037 0.000 0.966 112 K CB -0.360 32.262 32.500 0.202 0.000 0.754 112 K HN 0.539 nan 8.250 nan 0.000 0.466 113 W N 1.729 122.695 121.300 -0.557 0.000 2.388 113 W HA -0.109 4.551 4.660 0.000 0.000 0.294 113 W C 1.680 177.747 176.519 -0.753 0.000 1.212 113 W CA 1.028 57.752 57.345 -1.034 0.000 1.271 113 W CB -0.283 28.335 29.460 -1.404 0.000 1.126 113 W HN 0.124 nan 8.180 nan 0.000 0.535 114 C N 0.621 119.543 119.300 -0.630 0.000 2.440 114 C HA -0.129 4.332 4.460 0.001 0.000 0.278 114 C C 2.581 177.303 174.990 -0.447 0.000 1.295 114 C CA 1.165 59.827 59.018 -0.594 0.000 1.738 114 C CB -1.098 26.382 27.740 -0.433 0.000 1.987 114 C HN 0.263 nan 8.230 nan 0.000 0.492 115 K N 0.836 121.045 120.400 -0.318 0.000 2.148 115 K HA -0.108 4.212 4.320 0.001 0.000 0.204 115 K C 1.974 178.421 176.600 -0.254 0.000 1.050 115 K CA 1.050 57.208 56.287 -0.215 0.000 0.942 115 K CB -0.157 32.277 32.500 -0.111 0.000 0.724 115 K HN 0.551 nan 8.250 nan 0.000 0.446 116 K N 0.720 120.906 120.400 -0.356 0.000 2.155 116 K HA -0.056 4.264 4.320 0.001 0.000 0.203 116 K C 1.747 178.080 176.600 -0.444 0.000 1.052 116 K CA 1.071 57.145 56.287 -0.354 0.000 0.948 116 K CB 0.196 32.478 32.500 -0.363 0.000 0.728 116 K HN 0.067 nan 8.250 nan 0.000 0.448 117 V N -1.515 118.014 119.914 -0.642 0.000 3.514 117 V HA 0.151 4.271 4.120 0.001 0.000 0.301 117 V C -0.182 175.678 176.094 -0.390 0.000 1.346 117 V CA -0.385 61.550 62.300 -0.607 0.000 1.156 117 V CB -0.739 30.503 31.823 -0.968 0.000 1.029 117 V HN 0.282 nan 8.190 nan 0.000 0.428 118 N N 1.254 119.770 118.700 -0.307 0.000 2.714 118 N HA -0.165 4.575 4.740 0.001 0.000 0.253 118 N C 0.077 175.478 175.510 -0.181 0.000 1.024 118 N CA 1.199 54.128 53.050 -0.202 0.000 0.726 118 N CB -1.027 37.371 38.487 -0.148 0.000 0.908 118 N HN 1.089 nan 8.380 nan 0.000 0.542 119 A N -0.138 122.552 122.820 -0.217 0.000 2.486 119 A HA 0.778 5.098 4.320 0.001 0.000 0.289 119 A C -0.504 176.996 177.584 -0.139 0.000 1.176 119 A CA -0.607 51.331 52.037 -0.164 0.000 0.757 119 A CB 1.915 20.800 19.000 -0.192 0.000 1.337 119 A HN 0.159 nan 8.150 nan 0.000 0.423 120 E N 0.120 120.267 120.200 -0.087 0.000 2.266 120 E HA 0.460 4.810 4.350 0.001 0.000 0.268 120 E C -1.159 175.415 176.600 -0.045 0.000 0.879 120 E CA -0.589 55.772 56.400 -0.066 0.000 0.762 120 E CB 2.109 31.786 29.700 -0.039 0.000 1.199 120 E HN 0.550 nan 8.360 nan 0.000 0.422 121 I N 2.808 123.348 120.570 -0.051 0.000 2.556 121 I HA 0.070 4.240 4.170 0.001 0.000 0.284 121 I C 0.365 176.428 176.117 -0.090 0.000 1.114 121 I CA 0.316 61.608 61.300 -0.013 0.000 1.418 121 I CB 0.377 38.362 38.000 -0.025 0.000 1.394 121 I HN 0.389 nan 8.210 nan 0.000 0.552 122 M N 8.170 127.741 119.600 -0.049 0.000 2.080 122 M HA 0.360 4.840 4.480 0.001 0.000 0.350 122 M C -0.708 175.505 176.300 -0.146 0.000 1.143 122 M CA -0.645 54.575 55.300 -0.133 0.000 1.064 122 M CB 0.766 33.327 32.600 -0.066 0.000 1.429 122 M HN 0.557 nan 8.290 nan 0.000 0.418 123 M N 5.124 124.480 119.600 -0.406 0.000 2.146 123 M HA 0.566 5.046 4.480 0.001 0.000 0.357 123 M C -0.594 175.646 176.300 -0.099 0.000 1.261 123 M CA 0.122 55.219 55.300 -0.338 0.000 1.106 123 M CB 1.048 33.164 32.600 -0.807 0.000 1.612 123 M HN 0.731 nan 8.290 nan 0.000 0.470 124 A N 4.682 127.534 122.820 0.052 0.000 2.316 124 A HA 0.663 4.983 4.320 0.001 0.000 0.284 124 A C -0.656 177.060 177.584 0.219 0.000 1.115 124 A CA -0.601 51.523 52.037 0.145 0.000 0.812 124 A CB 0.342 19.412 19.000 0.115 0.000 1.064 124 A HN 1.036 nan 8.150 nan 0.000 0.489 125 V N 0.585 120.649 119.914 0.249 0.000 2.667 125 V HA 0.506 4.626 4.120 0.001 0.000 0.308 125 V C 0.127 176.307 176.094 0.143 0.000 1.048 125 V CA -1.263 61.166 62.300 0.215 0.000 0.928 125 V CB 1.614 33.558 31.823 0.203 0.000 1.004 125 V HN 0.840 nan 8.190 nan 0.000 0.444 126 N N 3.102 121.862 118.700 0.099 0.000 2.427 126 N HA 0.212 4.952 4.740 0.001 0.000 0.269 126 N C -0.123 175.390 175.510 0.006 0.000 1.235 126 N CA 0.121 53.180 53.050 0.014 0.000 0.934 126 N CB 0.410 38.829 38.487 -0.113 0.000 1.121 126 N HN 0.866 nan 8.380 nan 0.000 0.480 127 L N 2.620 123.864 121.223 0.035 0.000 3.168 127 L HA 0.325 4.665 4.340 0.001 0.000 0.277 127 L C 1.638 178.530 176.870 0.036 0.000 1.245 127 L CA -0.281 54.591 54.840 0.054 0.000 1.035 127 L CB 0.635 42.781 42.059 0.145 0.000 1.399 127 L HN 0.590 nan 8.230 nan 0.000 0.580 128 G N 0.263 109.055 108.800 -0.014 0.000 2.471 128 G HA2 -0.115 3.846 3.960 0.001 0.000 0.211 128 G HA3 -0.115 3.846 3.960 0.001 0.000 0.211 128 G C 1.323 176.201 174.900 -0.036 0.000 1.194 128 G CA 1.244 46.328 45.100 -0.025 0.000 0.816 128 G HN 0.325 nan 8.290 nan 0.000 0.545 129 T N -2.074 112.433 114.554 -0.078 0.000 3.044 129 T HA 0.478 4.828 4.350 0.001 0.000 0.260 129 T C 0.846 175.497 174.700 -0.082 0.000 1.019 129 T CA -0.403 61.659 62.100 -0.063 0.000 0.921 129 T CB 0.582 69.421 68.868 -0.048 0.000 1.053 129 T HN 0.113 nan 8.240 nan 0.000 0.533 130 R N -0.511 119.922 120.500 -0.111 0.000 2.912 130 R HA 0.761 5.102 4.340 0.001 0.000 0.262 130 R C -0.000 176.278 176.300 -0.037 0.000 1.057 130 R CA -0.876 55.172 56.100 -0.086 0.000 0.981 130 R CB 1.967 32.167 30.300 -0.167 0.000 1.201 130 R HN 0.252 nan 8.270 nan 0.000 0.484 131 G N -0.193 108.595 108.800 -0.020 0.000 3.247 131 G HA2 0.308 4.269 3.960 0.001 0.000 0.226 131 G HA3 0.308 4.269 3.960 0.001 0.000 0.226 131 G C 0.728 175.612 174.900 -0.026 0.000 1.220 131 G CA -0.627 44.461 45.100 -0.020 0.000 0.875 131 G HN 0.453 nan 8.290 nan 0.000 0.606 132 I N 1.030 121.575 120.570 -0.041 0.000 2.127 132 I HA -0.220 3.951 4.170 0.001 0.000 0.241 132 I C 3.112 179.196 176.117 -0.056 0.000 1.075 132 I CA 2.271 63.535 61.300 -0.059 0.000 1.334 132 I CB -0.193 37.764 38.000 -0.071 0.000 1.040 132 I HN 0.470 nan 8.210 nan 0.000 0.405 133 S N 0.177 115.857 115.700 -0.035 0.000 2.406 133 S HA -0.164 4.306 4.470 0.001 0.000 0.228 133 S C 1.382 175.967 174.600 -0.026 0.000 1.020 133 S CA 1.415 59.597 58.200 -0.030 0.000 0.965 133 S CB -0.706 62.492 63.200 -0.003 0.000 0.798 133 S HN 0.455 nan 8.310 nan 0.000 0.488 134 D N 2.573 122.980 120.400 0.012 0.000 2.224 134 D HA 0.199 4.839 4.640 0.001 0.000 0.205 134 D C 2.115 178.435 176.300 0.033 0.000 0.965 134 D CA 1.002 55.052 54.000 0.083 0.000 0.852 134 D CB -0.304 40.561 40.800 0.109 0.000 0.947 134 D HN 0.567 nan 8.370 nan 0.000 0.494 135 A N 0.066 122.865 122.820 -0.036 0.000 1.930 135 A HA -0.138 4.183 4.320 0.001 0.000 0.217 135 A C 2.200 179.663 177.584 -0.201 0.000 1.175 135 A CA 0.777 52.755 52.037 -0.098 0.000 0.627 135 A CB -0.888 18.062 19.000 -0.083 0.000 0.815 135 A HN 0.367 nan 8.150 nan 0.000 0.443 136 C N -0.247 118.951 119.300 -0.170 0.000 2.453 136 C HA -0.087 4.373 4.460 0.001 0.000 0.277 136 C C 2.680 177.528 174.990 -0.237 0.000 1.262 136 C CA 1.180 60.081 59.018 -0.196 0.000 1.718 136 C CB -1.425 26.235 27.740 -0.133 0.000 2.031 136 C HN 0.661 nan 8.230 nan 0.000 0.480 137 N N 1.136 119.674 118.700 -0.270 0.000 2.094 137 N HA -0.127 4.613 4.740 0.001 0.000 0.191 137 N C 1.424 176.649 175.510 -0.475 0.000 1.023 137 N CA 1.052 53.787 53.050 -0.525 0.000 0.857 137 N CB -0.730 37.393 38.487 -0.608 0.000 1.013 137 N HN 0.353 nan 8.380 nan 0.000 0.426 138 L N 0.524 121.409 121.223 -0.563 0.000 2.056 138 L HA 0.005 4.345 4.340 0.001 0.000 0.207 138 L C 1.984 178.683 176.870 -0.285 0.000 1.078 138 L CA 1.151 55.485 54.840 -0.843 0.000 0.749 138 L CB -0.890 40.675 42.059 -0.824 0.000 0.901 138 L HN 0.128 nan 8.230 nan 0.000 0.433 139 L N -0.155 120.859 121.223 -0.348 0.000 2.017 139 L HA -0.220 4.120 4.340 0.001 0.000 0.208 139 L C 2.512 179.337 176.870 -0.075 0.000 1.073 139 L CA 2.153 56.766 54.840 -0.378 0.000 0.745 139 L CB -0.892 40.789 42.059 -0.630 0.000 0.894 139 L HN 0.528 nan 8.230 nan 0.000 0.432 140 E N -1.646 118.514 120.200 -0.067 0.000 2.085 140 E HA -0.331 4.019 4.350 0.001 0.000 0.194 140 E C 2.258 178.961 176.600 0.171 0.000 0.994 140 E CA 1.669 58.107 56.400 0.063 0.000 0.801 140 E CB -0.438 29.286 29.700 0.040 0.000 0.743 140 E HN 0.643 nan 8.360 nan 0.000 0.453 141 Y N 0.279 120.596 120.300 0.029 0.000 2.165 141 Y HA -0.287 4.263 4.550 0.001 0.000 0.286 141 Y C 2.203 178.181 175.900 0.131 0.000 1.155 141 Y CA 1.984 60.150 58.100 0.109 0.000 1.164 141 Y CB -0.198 38.238 38.460 -0.040 0.000 0.978 141 Y HN 0.207 nan 8.280 nan 0.000 0.513 142 C N -0.530 118.938 119.300 0.281 0.000 2.518 142 C HA 0.090 4.550 4.460 0.001 0.000 0.283 142 C C 1.992 177.113 174.990 0.218 0.000 1.351 142 C CA 0.726 59.938 59.018 0.324 0.000 1.745 142 C CB -0.757 27.308 27.740 0.541 0.000 2.107 142 C HN 0.553 nan 8.230 nan 0.000 0.502 143 N N -1.014 117.814 118.700 0.214 0.000 2.348 143 N HA 0.035 4.775 4.740 0.001 0.000 0.183 143 N C 0.464 176.035 175.510 0.102 0.000 1.094 143 N CA 0.246 53.397 53.050 0.169 0.000 0.885 143 N CB -0.339 38.268 38.487 0.199 0.000 1.065 143 N HN 0.553 nan 8.380 nan 0.000 0.472 144 H N 1.739 120.829 119.070 0.032 0.000 2.722 144 H HA 0.101 4.657 4.556 0.000 0.000 0.328 144 H C -1.571 173.754 175.328 -0.005 0.000 1.067 144 H CA -1.252 54.806 56.048 0.016 0.000 1.447 144 H CB 1.777 31.554 29.762 0.025 0.000 1.469 144 H HN -0.031 nan 8.280 nan 0.000 0.544 145 P HA 0.023 nan 4.420 nan 0.000 0.214 145 P C 0.113 177.384 177.300 -0.048 0.000 1.162 145 P CA 1.141 64.140 63.100 -0.168 0.000 0.879 145 P CB 0.465 32.031 31.700 -0.222 0.000 0.786 146 G N -4.904 103.921 108.800 0.042 0.000 2.349 146 G HA2 0.414 4.375 3.960 0.001 0.000 0.294 146 G HA3 0.414 4.375 3.960 0.001 0.000 0.294 146 G C -0.009 174.993 174.900 0.170 0.000 1.380 146 G CA 0.231 45.392 45.100 0.102 0.000 0.811 146 G HN 0.312 nan 8.290 nan 0.000 0.519 147 G N -1.493 107.365 108.800 0.097 0.000 2.157 147 G HA2 0.172 4.133 3.960 0.001 0.000 0.248 147 G HA3 0.172 4.133 3.960 0.001 0.000 0.248 147 G C 0.583 175.518 174.900 0.057 0.000 0.979 147 G CA 1.376 46.522 45.100 0.077 0.000 0.650 147 G HN 2.352 nan 8.290 nan 0.000 0.529 148 S N -1.313 114.415 115.700 0.047 0.000 2.599 148 S HA 0.730 5.200 4.470 0.001 0.000 0.287 148 S C 1.017 175.616 174.600 -0.001 0.000 1.105 148 S CA 0.340 58.532 58.200 -0.013 0.000 0.899 148 S CB 2.335 65.458 63.200 -0.129 0.000 1.100 148 S HN 0.360 nan 8.310 nan 0.000 0.482 149 K N 0.254 120.638 120.400 -0.027 0.000 2.049 149 K HA -0.253 4.068 4.320 0.001 0.000 0.219 149 K C 1.272 177.783 176.600 -0.148 0.000 1.056 149 K CA 2.384 58.597 56.287 -0.124 0.000 0.946 149 K CB -0.530 31.843 32.500 -0.212 0.000 0.723 149 K HN 0.787 nan 8.250 nan 0.000 0.453 150 Y N 0.420 120.785 120.300 0.110 0.000 2.365 150 Y HA -0.107 4.443 4.550 0.001 0.000 0.293 150 Y C 2.822 178.804 175.900 0.137 0.000 1.119 150 Y CA 1.193 59.432 58.100 0.231 0.000 1.203 150 Y CB -0.179 38.473 38.460 0.321 0.000 1.026 150 Y HN 0.302 nan 8.280 nan 0.000 0.549 151 S N -0.283 115.527 115.700 0.183 0.000 2.368 151 S HA -0.191 4.279 4.470 0.001 0.000 0.225 151 S C 1.532 176.121 174.600 -0.018 0.000 1.030 151 S CA 1.643 59.888 58.200 0.074 0.000 0.999 151 S CB -0.509 62.807 63.200 0.193 0.000 0.844 151 S HN 0.311 nan 8.310 nan 0.000 0.459 152 D N 1.188 121.587 120.400 -0.001 0.000 2.178 152 D HA 0.053 4.693 4.640 0.001 0.000 0.201 152 D C 1.923 178.169 176.300 -0.090 0.000 0.980 152 D CA 0.959 54.936 54.000 -0.037 0.000 0.842 152 D CB -0.338 40.446 40.800 -0.026 0.000 0.948 152 D HN 0.423 nan 8.370 nan 0.000 0.472 153 M N -0.288 119.257 119.600 -0.091 0.000 2.086 153 M HA -0.141 4.339 4.480 0.001 0.000 0.261 153 M C 2.308 178.365 176.300 -0.405 0.000 1.067 153 M CA 1.169 56.348 55.300 -0.202 0.000 1.116 153 M CB -0.092 32.537 32.600 0.050 0.000 1.348 153 M HN -0.076 nan 8.290 nan 0.000 0.407 154 R N 0.874 121.128 120.500 -0.409 0.000 2.091 154 R HA -0.167 4.173 4.340 0.001 0.000 0.238 154 R C 1.861 178.042 176.300 -0.198 0.000 1.136 154 R CA 1.596 57.370 56.100 -0.543 0.000 0.959 154 R CB -0.429 29.314 30.300 -0.929 0.000 0.856 154 R HN 0.372 nan 8.270 nan 0.000 0.437 155 I N 0.919 121.392 120.570 -0.161 0.000 2.142 155 I HA -0.304 3.867 4.170 0.001 0.000 0.240 155 I C 2.657 178.764 176.117 -0.017 0.000 1.078 155 I CA 1.526 62.784 61.300 -0.070 0.000 1.343 155 I CB -0.350 37.617 38.000 -0.054 0.000 1.046 155 I HN 0.202 nan 8.210 nan 0.000 0.405 156 K N 0.571 120.946 120.400 -0.042 0.000 2.211 156 K HA -0.204 4.116 4.320 0.001 0.000 0.204 156 K C 1.718 178.414 176.600 0.160 0.000 1.047 156 K CA 1.568 57.869 56.287 0.024 0.000 0.935 156 K CB -0.215 32.279 32.500 -0.009 0.000 0.728 156 K HN 0.536 nan 8.250 nan 0.000 0.452 157 H N -1.380 117.761 119.070 0.119 0.000 2.556 157 H HA 0.081 4.638 4.556 0.001 0.000 0.268 157 H C 0.626 176.031 175.328 0.129 0.000 0.996 157 H CA -0.020 56.124 56.048 0.160 0.000 1.157 157 H CB 0.428 30.354 29.762 0.274 0.000 1.355 157 H HN 0.528 nan 8.280 nan 0.000 0.597 158 G N 0.819 109.732 108.800 0.189 0.000 2.165 158 G HA2 -0.233 3.727 3.960 0.001 0.000 0.226 158 G HA3 -0.233 3.727 3.960 0.001 0.000 0.226 158 G C -0.270 174.694 174.900 0.107 0.000 1.035 158 G CA 0.127 45.303 45.100 0.128 0.000 0.744 158 G HN 0.227 nan 8.290 nan 0.000 0.501 159 V N 0.897 120.853 119.914 0.069 0.000 2.380 159 V HA 0.372 4.493 4.120 0.001 0.000 0.272 159 V C 1.276 177.332 176.094 -0.063 0.000 1.011 159 V CA -0.444 61.862 62.300 0.010 0.000 0.826 159 V CB 1.306 33.127 31.823 -0.004 0.000 1.040 159 V HN 0.221 nan 8.190 nan 0.000 0.441 160 K N 1.482 121.862 120.400 -0.034 0.000 2.155 160 K HA 0.034 4.355 4.320 0.001 0.000 0.203 160 K C 0.585 177.146 176.600 -0.064 0.000 1.052 160 K CA 0.984 57.246 56.287 -0.041 0.000 0.948 160 K CB 0.502 32.993 32.500 -0.015 0.000 0.728 160 K HN 0.532 nan 8.250 nan 0.000 0.448 161 E N 1.674 121.831 120.200 -0.071 0.000 2.191 161 E HA 0.260 4.610 4.350 0.001 0.000 0.278 161 E C -2.374 174.144 176.600 -0.137 0.000 0.972 161 E CA -2.732 53.623 56.400 -0.075 0.000 0.804 161 E CB 1.288 30.965 29.700 -0.037 0.000 1.110 161 E HN 0.128 nan 8.360 nan 0.000 0.394 162 P HA 0.028 nan 4.420 nan 0.000 0.268 162 P C 0.564 177.816 177.300 -0.080 0.000 1.205 162 P CA -0.030 62.994 63.100 -0.127 0.000 0.771 162 P CB 0.725 32.401 31.700 -0.040 0.000 0.858 163 H N 1.206 120.318 119.070 0.070 0.000 2.489 163 H HA -0.075 4.481 4.556 0.001 0.000 0.293 163 H C 0.400 175.774 175.328 0.077 0.000 1.066 163 H CA 0.758 56.852 56.048 0.076 0.000 1.305 163 H CB -0.504 29.321 29.762 0.104 0.000 1.386 163 H HN 0.479 nan 8.280 nan 0.000 0.551 164 N N 0.435 119.256 118.700 0.203 0.000 2.705 164 N HA -0.194 4.546 4.740 0.001 0.000 0.255 164 N C -0.562 175.065 175.510 0.194 0.000 1.008 164 N CA 0.399 53.556 53.050 0.179 0.000 0.742 164 N CB -1.808 36.745 38.487 0.110 0.000 0.906 164 N HN 0.385 nan 8.380 nan 0.000 0.541 165 I N 0.738 121.457 120.570 0.249 0.000 2.664 165 I HA -0.122 4.048 4.170 0.001 0.000 0.284 165 I C 1.661 177.918 176.117 0.233 0.000 1.154 165 I CA 0.465 61.828 61.300 0.105 0.000 1.402 165 I CB 0.498 38.392 38.000 -0.178 0.000 1.395 165 I HN 0.091 nan 8.210 nan 0.000 0.545 166 K N 4.265 124.729 120.400 0.108 0.000 2.186 166 K HA 0.135 4.455 4.320 0.001 0.000 0.202 166 K C -0.106 176.624 176.600 0.216 0.000 1.052 166 K CA 0.687 57.078 56.287 0.174 0.000 0.965 166 K CB 0.367 32.930 32.500 0.105 0.000 0.746 166 K HN 0.390 nan 8.250 nan 0.000 0.457 167 V N 0.682 120.636 119.914 0.066 0.000 2.604 167 V HA 0.335 4.456 4.120 0.001 0.000 0.305 167 V C -1.442 174.633 176.094 -0.033 0.000 1.043 167 V CA -0.923 61.441 62.300 0.108 0.000 0.888 167 V CB 1.318 33.134 31.823 -0.010 0.000 0.995 167 V HN 0.145 nan 8.190 nan 0.000 0.429 168 W N 2.125 123.470 121.300 0.075 0.000 2.819 168 W HA 0.643 5.303 4.660 0.001 0.000 0.337 168 W C -0.627 175.942 176.519 0.083 0.000 1.077 168 W CA -0.542 56.848 57.345 0.076 0.000 1.226 168 W CB 1.705 31.208 29.460 0.072 0.000 1.419 168 W HN 0.456 nan 8.180 nan 0.000 0.502 169 C N 3.449 122.912 119.300 0.272 0.000 2.273 169 C HA 0.420 4.880 4.460 0.001 0.000 0.328 169 C C 0.677 175.819 174.990 0.252 0.000 1.275 169 C CA -0.792 58.355 59.018 0.215 0.000 1.704 169 C CB -0.584 27.233 27.740 0.129 0.000 2.326 169 C HN 0.476 nan 8.230 nan 0.000 0.517 170 L N 4.922 126.301 121.223 0.261 0.000 2.391 170 L HA 0.415 4.755 4.340 0.001 0.000 0.249 170 L C 1.190 178.254 176.870 0.324 0.000 1.308 170 L CA 0.678 55.678 54.840 0.266 0.000 1.209 170 L CB -1.266 40.932 42.059 0.232 0.000 1.401 170 L HN 1.151 nan 8.230 nan 0.000 0.416 171 G N 2.037 110.976 108.800 0.232 0.000 2.725 171 G HA2 -0.286 3.675 3.960 0.001 0.000 0.220 171 G HA3 -0.286 3.675 3.960 0.001 0.000 0.220 171 G C -0.854 174.121 174.900 0.125 0.000 1.357 171 G CA -0.331 44.874 45.100 0.175 0.000 0.866 171 G HN 0.655 nan 8.290 nan 0.000 0.548 172 N N -0.531 118.210 118.700 0.068 0.000 2.240 172 N HA 0.691 5.431 4.740 0.001 0.000 0.302 172 N C 0.353 175.840 175.510 -0.039 0.000 1.106 172 N CA 0.503 53.594 53.050 0.068 0.000 0.778 172 N CB 1.657 40.227 38.487 0.138 0.000 1.431 172 N HN 1.901 nan 8.380 nan 0.000 0.479 173 A N 2.978 125.759 122.820 -0.066 0.000 2.568 173 A HA -0.100 4.221 4.320 0.001 0.000 0.273 173 A C 0.574 177.977 177.584 -0.302 0.000 0.978 173 A CA 0.896 52.777 52.037 -0.261 0.000 0.946 173 A CB -0.622 18.210 19.000 -0.280 0.000 0.842 173 A HN 0.890 nan 8.150 nan 0.000 0.484 174 M N 1.776 121.137 119.600 -0.398 0.000 2.484 174 M HA 0.058 4.538 4.480 0.001 0.000 0.307 174 M C 0.910 177.069 176.300 -0.236 0.000 1.149 174 M CA 0.190 55.319 55.300 -0.284 0.000 0.972 174 M CB 0.359 32.870 32.600 -0.148 0.000 1.400 174 M HN 0.904 nan 8.290 nan 0.000 0.508 175 D N -0.550 119.514 120.400 -0.559 0.000 2.289 175 D HA -0.000 4.640 4.640 0.001 0.000 0.207 175 D C 0.903 177.022 176.300 -0.301 0.000 0.966 175 D CA 0.296 54.048 54.000 -0.414 0.000 0.868 175 D CB -0.159 40.110 40.800 -0.884 0.000 0.943 175 D HN 0.265 nan 8.370 nan 0.000 0.514 176 G N 1.616 109.987 108.800 -0.716 0.000 2.442 176 G HA2 0.283 4.243 3.960 0.001 0.000 0.249 176 G HA3 0.283 4.243 3.960 0.001 0.000 0.249 176 G C -1.822 172.502 174.900 -0.960 0.000 1.263 176 G CA -0.939 43.456 45.100 -1.174 0.000 0.846 176 G HN -0.043 nan 8.290 nan 0.000 0.555 177 P HA -0.027 nan 4.420 nan 0.000 0.230 177 P C 1.123 178.302 177.300 -0.202 0.000 1.158 177 P CA 0.643 63.503 63.100 -0.399 0.000 0.769 177 P CB 0.077 31.667 31.700 -0.182 0.000 0.807 178 W N -1.416 119.807 121.300 -0.128 0.000 2.905 178 W HA 0.214 4.874 4.660 0.001 0.000 0.251 178 W C 0.458 176.906 176.519 -0.117 0.000 1.305 178 W CA -0.102 57.172 57.345 -0.118 0.000 1.465 178 W CB -0.900 28.488 29.460 -0.120 0.000 1.122 178 W HN -0.196 nan 8.180 nan 0.000 0.659 179 Q N 1.796 121.221 119.800 -0.625 0.000 2.243 179 Q HA 0.230 4.570 4.340 0.001 0.000 0.252 179 Q C -0.181 175.708 176.000 -0.185 0.000 0.909 179 Q CA -0.523 55.028 55.803 -0.419 0.000 0.922 179 Q CB 2.632 31.018 28.738 -0.587 0.000 1.215 179 Q HN 0.046 nan 8.270 nan 0.000 0.427 180 V N 2.378 122.232 119.914 -0.100 0.000 2.555 180 V HA 0.435 4.556 4.120 0.001 0.000 0.286 180 V C 0.772 176.842 176.094 -0.039 0.000 1.044 180 V CA 1.315 63.588 62.300 -0.046 0.000 1.026 180 V CB 0.493 32.302 31.823 -0.023 0.000 0.981 180 V HN 1.043 nan 8.190 nan 0.000 0.480 181 G N 4.277 113.071 108.800 -0.009 0.000 2.182 181 G HA2 -0.275 3.686 3.960 0.001 0.000 0.248 181 G HA3 -0.275 3.686 3.960 0.001 0.000 0.248 181 G C 0.081 174.980 174.900 -0.003 0.000 1.042 181 G CA 0.587 45.684 45.100 -0.006 0.000 0.775 181 G HN 2.090 nan 8.290 nan 0.000 0.501 182 H N 1.093 120.108 119.070 -0.090 0.000 3.125 182 H HA 0.476 5.033 4.556 0.001 0.000 0.310 182 H C 0.592 175.913 175.328 -0.012 0.000 0.980 182 H CA 0.743 56.729 56.048 -0.103 0.000 1.422 182 H CB 0.598 30.271 29.762 -0.149 0.000 1.432 182 H HN 0.264 nan 8.280 nan 0.000 0.577 183 K N 3.635 123.774 120.400 -0.434 0.000 2.238 183 K HA 0.261 4.582 4.320 0.001 0.000 0.239 183 K C 0.038 176.443 176.600 -0.324 0.000 0.987 183 K CA -0.647 55.460 56.287 -0.300 0.000 0.857 183 K CB 1.618 34.129 32.500 0.017 0.000 1.154 183 K HN 0.835 nan 8.250 nan 0.000 0.439 184 T N -2.136 112.322 114.554 -0.161 0.000 2.849 184 T HA 0.162 4.512 4.350 0.001 0.000 0.284 184 T C 1.758 176.416 174.700 -0.069 0.000 1.004 184 T CA -0.677 61.419 62.100 -0.007 0.000 1.021 184 T CB 0.475 69.335 68.868 -0.012 0.000 1.013 184 T HN 0.700 nan 8.240 nan 0.000 0.527 185 M N 0.053 119.573 119.600 -0.132 0.000 2.144 185 M HA -0.094 4.386 4.480 0.001 0.000 0.260 185 M C 1.043 177.126 176.300 -0.361 0.000 1.067 185 M CA 2.106 57.028 55.300 -0.631 0.000 1.095 185 M CB -1.107 31.280 32.600 -0.355 0.000 1.365 185 M HN 0.608 nan 8.290 nan 0.000 0.406 186 D N 0.737 121.054 120.400 -0.137 0.000 2.149 186 D HA -0.089 4.551 4.640 0.001 0.000 0.201 186 D C 1.951 178.086 176.300 -0.275 0.000 0.972 186 D CA 1.368 55.312 54.000 -0.094 0.000 0.835 186 D CB -0.018 40.797 40.800 0.025 0.000 0.966 186 D HN 0.554 nan 8.370 nan 0.000 0.476 187 E N -0.477 119.614 120.200 -0.182 0.000 2.077 187 E HA -0.213 4.137 4.350 0.001 0.000 0.193 187 E C 1.667 178.168 176.600 -0.165 0.000 0.989 187 E CA 0.749 57.051 56.400 -0.163 0.000 0.800 187 E CB -0.103 29.540 29.700 -0.096 0.000 0.746 187 E HN 0.388 nan 8.360 nan 0.000 0.452 188 Y N 0.945 121.089 120.300 -0.259 0.000 2.263 188 Y HA -0.037 4.513 4.550 0.001 0.000 0.292 188 Y C 2.205 177.943 175.900 -0.269 0.000 1.130 188 Y CA 1.477 59.452 58.100 -0.209 0.000 1.179 188 Y CB -0.622 37.766 38.460 -0.120 0.000 0.998 188 Y HN -0.017 nan 8.280 nan 0.000 0.532 189 G N 1.048 109.577 108.800 -0.453 0.000 2.529 189 G HA2 -0.297 3.664 3.960 0.001 0.000 0.219 189 G HA3 -0.297 3.664 3.960 0.001 0.000 0.219 189 G C 1.830 176.320 174.900 -0.683 0.000 1.177 189 G CA 1.079 45.900 45.100 -0.464 0.000 0.773 189 G HN 0.253 nan 8.290 nan 0.000 0.573 190 R N -0.222 119.742 120.500 -0.894 0.000 2.070 190 R HA 0.002 4.343 4.340 0.001 0.000 0.233 190 R C 2.548 178.609 176.300 -0.399 0.000 1.137 190 R CA 1.096 56.801 56.100 -0.659 0.000 0.945 190 R CB -1.079 28.886 30.300 -0.558 0.000 0.845 190 R HN 0.462 nan 8.270 nan 0.000 0.430 191 I N 1.189 121.542 120.570 -0.361 0.000 2.163 191 I HA -0.243 3.928 4.170 0.001 0.000 0.243 191 I C 2.214 178.154 176.117 -0.295 0.000 1.085 191 I CA 1.676 62.821 61.300 -0.258 0.000 1.347 191 I CB -0.447 37.463 38.000 -0.150 0.000 1.044 191 I HN 0.154 nan 8.210 nan 0.000 0.408 192 A N -0.272 122.244 122.820 -0.506 0.000 1.908 192 A HA -0.296 4.024 4.320 0.001 0.000 0.218 192 A C 2.373 179.818 177.584 -0.232 0.000 1.181 192 A CA 2.020 53.791 52.037 -0.444 0.000 0.627 192 A CB -0.938 17.573 19.000 -0.816 0.000 0.818 192 A HN 0.645 nan 8.150 nan 0.000 0.445 193 E N -0.418 119.653 120.200 -0.216 0.000 2.023 193 E HA -0.251 4.099 4.350 0.001 0.000 0.196 193 E C 1.844 178.342 176.600 -0.170 0.000 1.003 193 E CA 1.497 57.845 56.400 -0.087 0.000 0.809 193 E CB -0.145 29.541 29.700 -0.023 0.000 0.755 193 E HN 0.525 nan 8.360 nan 0.000 0.449 194 E N 0.082 120.167 120.200 -0.193 0.000 2.077 194 E HA -0.129 4.221 4.350 0.001 0.000 0.193 194 E C 2.230 178.713 176.600 -0.194 0.000 0.989 194 E CA 1.558 57.836 56.400 -0.204 0.000 0.800 194 E CB -0.695 28.906 29.700 -0.164 0.000 0.746 194 E HN 0.333 nan 8.360 nan 0.000 0.452 195 T N 1.528 115.986 114.554 -0.159 0.000 2.684 195 T HA -0.154 4.196 4.350 0.001 0.000 0.267 195 T C 1.978 176.597 174.700 -0.135 0.000 1.036 195 T CA 1.785 63.808 62.100 -0.129 0.000 1.148 195 T CB -0.325 68.489 68.868 -0.091 0.000 0.863 195 T HN 0.299 nan 8.240 nan 0.000 0.436 196 A N 1.599 124.349 122.820 -0.116 0.000 1.902 196 A HA -0.128 4.192 4.320 0.001 0.000 0.217 196 A C 2.323 179.813 177.584 -0.156 0.000 1.181 196 A CA 1.784 53.776 52.037 -0.074 0.000 0.623 196 A CB -0.651 18.368 19.000 0.032 0.000 0.818 196 A HN 0.403 nan 8.150 nan 0.000 0.443 197 R N -0.521 119.765 120.500 -0.356 0.000 2.091 197 R HA -0.162 4.178 4.340 0.001 0.000 0.238 197 R C 2.298 178.436 176.300 -0.268 0.000 1.136 197 R CA 1.562 57.340 56.100 -0.537 0.000 0.959 197 R CB -0.357 29.522 30.300 -0.703 0.000 0.856 197 R HN 0.485 nan 8.270 nan 0.000 0.437 198 A N 0.473 123.168 122.820 -0.209 0.000 1.872 198 A HA -0.109 4.212 4.320 0.001 0.000 0.214 198 A C 2.198 179.697 177.584 -0.141 0.000 1.187 198 A CA 1.177 53.123 52.037 -0.153 0.000 0.614 198 A CB -0.348 18.570 19.000 -0.137 0.000 0.826 198 A HN 0.293 nan 8.150 nan 0.000 0.442 199 M N -0.529 118.974 119.600 -0.161 0.000 2.086 199 M HA -0.154 4.327 4.480 0.001 0.000 0.261 199 M C 2.040 178.251 176.300 -0.147 0.000 1.067 199 M CA 1.579 56.760 55.300 -0.199 0.000 1.116 199 M CB -0.344 32.100 32.600 -0.260 0.000 1.348 199 M HN 0.265 nan 8.290 nan 0.000 0.407 200 K N -0.029 120.315 120.400 -0.093 0.000 2.360 200 K HA -0.060 4.260 4.320 0.001 0.000 0.201 200 K C 1.761 178.347 176.600 -0.022 0.000 1.046 200 K CA 1.005 57.273 56.287 -0.031 0.000 0.945 200 K CB -0.082 32.439 32.500 0.035 0.000 0.750 200 K HN 0.438 nan 8.250 nan 0.000 0.464 201 M N 0.054 119.627 119.600 -0.046 0.000 2.319 201 M HA -0.065 4.416 4.480 0.001 0.000 0.265 201 M C 1.881 178.167 176.300 -0.022 0.000 1.068 201 M CA 1.191 56.473 55.300 -0.030 0.000 1.118 201 M CB -0.020 32.553 32.600 -0.046 0.000 1.395 201 M HN 0.099 nan 8.290 nan 0.000 0.435 202 I N -0.902 119.642 120.570 -0.044 0.000 2.339 202 I HA -0.072 4.098 4.170 0.001 0.000 0.245 202 I C 0.421 176.546 176.117 0.014 0.000 1.096 202 I CA 0.753 62.039 61.300 -0.023 0.000 1.408 202 I CB 0.063 38.021 38.000 -0.070 0.000 1.092 202 I HN 0.124 nan 8.210 nan 0.000 0.423 203 D N 0.759 121.147 120.400 -0.019 0.000 2.336 203 D HA 0.174 4.814 4.640 0.001 0.000 0.248 203 D C -2.023 174.285 176.300 0.012 0.000 1.326 203 D CA -2.060 51.946 54.000 0.010 0.000 0.973 203 D CB 1.621 42.429 40.800 0.014 0.000 1.255 203 D HN -0.108 nan 8.370 nan 0.000 0.558 204 P HA -0.080 nan 4.420 nan 0.000 0.226 204 P C 1.097 178.431 177.300 0.056 0.000 1.153 204 P CA 0.529 63.653 63.100 0.040 0.000 0.777 204 P CB 0.189 31.913 31.700 0.040 0.000 0.794 205 S N -0.179 115.559 115.700 0.063 0.000 2.522 205 S HA -0.015 4.455 4.470 0.001 0.000 0.227 205 S C 1.216 175.885 174.600 0.114 0.000 0.986 205 S CA -0.406 57.842 58.200 0.080 0.000 0.929 205 S CB -1.398 61.847 63.200 0.075 0.000 0.769 205 S HN 0.248 nan 8.310 nan 0.000 0.529 206 I N -0.741 119.904 120.570 0.126 0.000 2.945 206 I HA 0.510 4.680 4.170 0.001 0.000 0.292 206 I C -0.266 175.973 176.117 0.203 0.000 1.093 206 I CA -0.743 60.676 61.300 0.200 0.000 1.336 206 I CB 0.608 38.724 38.000 0.194 0.000 1.435 206 I HN 0.017 nan 8.210 nan 0.000 0.593 207 E N 4.265 124.635 120.200 0.283 0.000 2.212 207 E HA 0.642 4.992 4.350 0.001 0.000 0.268 207 E C -1.343 175.469 176.600 0.353 0.000 0.902 207 E CA -0.819 55.764 56.400 0.305 0.000 0.779 207 E CB 2.763 32.698 29.700 0.392 0.000 1.172 207 E HN 0.494 nan 8.360 nan 0.000 0.409 208 L N 1.692 123.109 121.223 0.324 0.000 2.362 208 L HA 0.525 4.865 4.340 0.001 0.000 0.271 208 L C -0.856 176.221 176.870 0.345 0.000 1.002 208 L CA -1.122 53.899 54.840 0.302 0.000 0.818 208 L CB 1.986 44.164 42.059 0.199 0.000 1.298 208 L HN 0.243 nan 8.230 nan 0.000 0.420 209 V N 2.096 122.191 119.914 0.301 0.000 2.378 209 V HA 0.592 4.712 4.120 0.001 0.000 0.288 209 V C 0.325 176.575 176.094 0.261 0.000 1.016 209 V CA -0.646 61.827 62.300 0.288 0.000 0.840 209 V CB 1.455 33.391 31.823 0.189 0.000 0.994 209 V HN 0.846 nan 8.190 nan 0.000 0.431 210 A N 3.774 126.750 122.820 0.259 0.000 2.354 210 A HA 0.436 4.756 4.320 0.001 0.000 0.269 210 A C 0.263 178.064 177.584 0.362 0.000 1.109 210 A CA -0.239 51.993 52.037 0.325 0.000 0.800 210 A CB 0.258 19.413 19.000 0.259 0.000 1.045 210 A HN 0.873 nan 8.150 nan 0.000 0.489 211 C N 2.663 122.247 119.300 0.473 0.000 2.629 211 C HA 0.489 4.949 4.460 0.001 0.000 0.410 211 C C 1.525 176.723 174.990 0.347 0.000 1.339 211 C CA 0.230 59.393 59.018 0.242 0.000 1.810 211 C CB -0.656 27.047 27.740 -0.062 0.000 2.549 211 C HN 0.998 nan 8.230 nan 0.000 0.589 212 G N 3.061 111.942 108.800 0.135 0.000 2.508 212 G HA2 0.423 4.383 3.960 0.001 0.000 0.278 212 G HA3 0.423 4.383 3.960 0.001 0.000 0.278 212 G C -0.112 174.639 174.900 -0.249 0.000 1.389 212 G CA -0.294 44.892 45.100 0.142 0.000 1.050 212 G HN 0.751 nan 8.290 nan 0.000 0.522 213 S N -0.897 114.688 115.700 -0.192 0.000 2.579 213 S HA 0.166 4.637 4.470 0.001 0.000 0.275 213 S C 1.718 176.113 174.600 -0.343 0.000 1.345 213 S CA -0.273 57.694 58.200 -0.388 0.000 1.031 213 S CB 1.499 64.711 63.200 0.021 0.000 0.892 213 S HN 0.528 nan 8.310 nan 0.000 0.529 214 S N 1.450 116.963 115.700 -0.311 0.000 2.383 214 S HA -0.047 4.424 4.470 0.001 0.000 0.229 214 S C 0.960 175.576 174.600 0.027 0.000 1.030 214 S CA 1.101 59.259 58.200 -0.069 0.000 1.002 214 S CB -0.169 63.176 63.200 0.241 0.000 0.829 214 S HN 0.932 nan 8.310 nan 0.000 0.467 215 S N -0.165 115.494 115.700 -0.069 0.000 2.588 215 S HA 0.405 4.875 4.470 0.001 0.000 0.269 215 S C -0.025 174.315 174.600 -0.435 0.000 1.157 215 S CA -0.818 57.270 58.200 -0.187 0.000 0.824 215 S CB 1.568 64.706 63.200 -0.104 0.000 1.126 215 S HN 0.229 nan 8.310 nan 0.000 0.464 216 K N 0.055 119.927 120.400 -0.881 0.000 2.515 216 K HA 0.013 4.333 4.320 0.001 0.000 0.196 216 K C 0.302 176.589 176.600 -0.522 0.000 1.038 216 K CA 1.348 56.885 56.287 -1.250 0.000 0.967 216 K CB -0.286 31.162 32.500 -1.753 0.000 0.780 216 K HN 0.523 nan 8.250 nan 0.000 0.483 217 D N 0.565 120.788 120.400 -0.295 0.000 2.249 217 D HA -0.007 4.633 4.640 0.001 0.000 0.205 217 D C 0.436 176.727 176.300 -0.016 0.000 0.962 217 D CA 0.337 54.272 54.000 -0.110 0.000 0.860 217 D CB 0.084 40.829 40.800 -0.092 0.000 0.955 217 D HN 0.202 nan 8.370 nan 0.000 0.505 218 M N 1.661 121.256 119.600 -0.008 0.000 2.336 218 M HA -0.050 4.430 4.480 0.001 0.000 0.371 218 M C -1.497 174.872 176.300 0.115 0.000 1.542 218 M CA -0.701 54.630 55.300 0.053 0.000 0.959 218 M CB 0.095 32.716 32.600 0.034 0.000 2.033 218 M HN -0.210 nan 8.290 nan 0.000 0.472 219 P HA -0.119 nan 4.420 nan 0.000 0.220 219 P C 1.100 178.485 177.300 0.142 0.000 1.144 219 P CA 1.355 64.520 63.100 0.109 0.000 0.800 219 P CB -0.080 31.669 31.700 0.080 0.000 0.772 220 T N -5.652 109.004 114.554 0.169 0.000 3.107 220 T HA 0.090 4.440 4.350 0.001 0.000 0.249 220 T C 0.229 175.093 174.700 0.274 0.000 1.096 220 T CA -0.463 61.764 62.100 0.212 0.000 1.012 220 T CB -0.948 68.078 68.868 0.263 0.000 0.977 220 T HN -0.079 nan 8.240 nan 0.000 0.527 221 F N 3.866 123.885 119.950 0.114 0.000 2.412 221 F HA 0.489 5.017 4.527 0.000 0.000 0.348 221 F C -1.946 173.921 175.800 0.111 0.000 1.102 221 F CA -2.363 55.714 58.000 0.128 0.000 1.196 221 F CB 1.722 40.771 39.000 0.081 0.000 1.144 221 F HN -0.115 nan 8.300 nan 0.000 0.541 222 P HA 0.039 nan 4.420 nan 0.000 0.272 222 P C 0.612 177.785 177.300 -0.211 0.000 1.408 222 P CA 0.243 62.805 63.100 -0.896 0.000 0.996 222 P CB 0.317 31.298 31.700 -1.198 0.000 1.481 223 Q N -0.834 118.936 119.800 -0.051 0.000 2.291 223 Q HA -0.135 4.206 4.340 0.001 0.000 0.205 223 Q C 1.520 177.600 176.000 0.133 0.000 0.970 223 Q CA 0.942 56.765 55.803 0.034 0.000 0.876 223 Q CB -0.278 28.485 28.738 0.041 0.000 0.935 223 Q HN 0.289 nan 8.270 nan 0.000 0.455 224 W N 1.583 122.908 121.300 0.042 0.000 2.315 224 W HA -0.265 4.395 4.660 0.001 0.000 0.323 224 W C 1.153 177.740 176.519 0.113 0.000 1.233 224 W CA 2.193 59.597 57.345 0.099 0.000 1.267 224 W CB -0.177 29.357 29.460 0.123 0.000 1.160 224 W HN 0.210 nan 8.180 nan 0.000 0.474 225 E N 0.480 120.917 120.200 0.396 0.000 2.118 225 E HA -0.152 4.199 4.350 0.001 0.000 0.195 225 E C 2.383 179.066 176.600 0.137 0.000 0.992 225 E CA 2.053 58.620 56.400 0.279 0.000 0.804 225 E CB -0.877 28.969 29.700 0.243 0.000 0.741 225 E HN 0.270 nan 8.360 nan 0.000 0.458 226 A N 0.242 123.122 122.820 0.100 0.000 1.858 226 A HA -0.212 4.109 4.320 0.001 0.000 0.216 226 A C 2.394 180.006 177.584 0.047 0.000 1.190 226 A CA 2.149 54.248 52.037 0.103 0.000 0.617 226 A CB -1.087 17.979 19.000 0.110 0.000 0.827 226 A HN 0.275 nan 8.150 nan 0.000 0.443 227 T N -0.284 114.271 114.554 0.002 0.000 2.708 227 T HA -0.122 4.228 4.350 0.001 0.000 0.266 227 T C 1.909 176.607 174.700 -0.003 0.000 1.037 227 T CA 1.639 63.709 62.100 -0.050 0.000 1.146 227 T CB -0.529 68.310 68.868 -0.048 0.000 0.865 227 T HN 0.137 nan 8.240 nan 0.000 0.435 228 V N 1.513 121.397 119.914 -0.050 0.000 2.287 228 V HA -0.139 3.982 4.120 0.001 0.000 0.248 228 V C 2.521 178.666 176.094 0.085 0.000 1.053 228 V CA 1.557 63.855 62.300 -0.004 0.000 1.027 228 V CB -0.714 31.081 31.823 -0.046 0.000 0.646 228 V HN 0.414 nan 8.190 nan 0.000 0.447 229 L N -0.129 121.149 121.223 0.091 0.000 2.046 229 L HA -0.196 4.144 4.340 0.001 0.000 0.208 229 L C 2.487 179.442 176.870 0.143 0.000 1.077 229 L CA 1.850 56.770 54.840 0.133 0.000 0.747 229 L CB -0.748 41.411 42.059 0.167 0.000 0.896 229 L HN 0.369 nan 8.230 nan 0.000 0.432 230 D N -0.534 119.882 120.400 0.027 0.000 2.149 230 D HA -0.251 4.389 4.640 0.001 0.000 0.194 230 D C 2.011 178.243 176.300 -0.114 0.000 1.001 230 D CA 1.754 55.688 54.000 -0.110 0.000 0.849 230 D CB -0.005 40.652 40.800 -0.238 0.000 0.939 230 D HN 0.263 nan 8.370 nan 0.000 0.449 231 Y N 0.088 120.377 120.300 -0.018 0.000 2.153 231 Y HA 0.138 4.688 4.550 0.000 0.000 0.289 231 Y C 2.388 178.311 175.900 0.038 0.000 1.127 231 Y CA 1.412 59.500 58.100 -0.020 0.000 1.131 231 Y CB -0.451 37.962 38.460 -0.077 0.000 0.995 231 Y HN 0.030 nan 8.280 nan 0.000 0.505 232 A N -2.161 120.784 122.820 0.209 0.000 2.348 232 A HA 0.043 4.363 4.320 0.001 0.000 0.224 232 A C 1.548 179.216 177.584 0.140 0.000 1.227 232 A CA -0.317 51.833 52.037 0.188 0.000 0.885 232 A CB -1.007 18.048 19.000 0.091 0.000 0.933 232 A HN 0.520 nan 8.150 nan 0.000 0.506 233 Y N 1.508 121.796 120.300 -0.020 0.000 2.062 233 Y HA -0.327 4.223 4.550 0.000 0.000 0.273 233 Y C 1.319 177.117 175.900 -0.170 0.000 1.206 233 Y CA 2.577 60.623 58.100 -0.090 0.000 1.125 233 Y CB 0.108 38.496 38.460 -0.119 0.000 0.951 233 Y HN 0.380 nan 8.280 nan 0.000 0.501 234 D N -1.941 118.378 120.400 -0.135 0.000 2.363 234 D HA -0.090 4.550 4.640 0.001 0.000 0.226 234 D C 0.541 176.432 176.300 -0.681 0.000 1.020 234 D CA 0.951 54.675 54.000 -0.461 0.000 0.892 234 D CB -0.130 40.238 40.800 -0.719 0.000 0.900 234 D HN 0.517 nan 8.370 nan 0.000 0.531 235 Y N -0.859 119.437 120.300 -0.007 0.000 2.499 235 Y HA 0.133 4.683 4.550 0.000 0.000 0.253 235 Y C 0.690 176.578 175.900 -0.020 0.000 1.105 235 Y CA -0.558 57.533 58.100 -0.015 0.000 1.240 235 Y CB 0.518 38.970 38.460 -0.014 0.000 1.289 235 Y HN -0.232 nan 8.280 nan 0.000 0.534 236 V N -2.545 117.399 119.914 0.050 0.000 2.667 236 V HA 0.548 4.669 4.120 0.001 0.000 0.308 236 V C -0.502 175.545 176.094 -0.078 0.000 1.048 236 V CA -0.624 61.695 62.300 0.032 0.000 0.928 236 V CB 2.129 33.978 31.823 0.044 0.000 1.004 236 V HN 0.045 nan 8.190 nan 0.000 0.444 237 D N 0.692 121.076 120.400 -0.028 0.000 2.423 237 D HA 0.262 4.902 4.640 0.001 0.000 0.208 237 D C -0.728 175.275 176.300 -0.495 0.000 1.068 237 D CA 0.706 54.551 54.000 -0.257 0.000 0.860 237 D CB 0.253 40.923 40.800 -0.216 0.000 0.992 237 D HN 0.659 nan 8.370 nan 0.000 0.504 238 Y N -0.275 120.048 120.300 0.039 0.000 2.562 238 Y HA 0.500 5.051 4.550 0.000 0.000 0.345 238 Y C -0.972 174.960 175.900 0.054 0.000 1.045 238 Y CA -1.396 56.741 58.100 0.062 0.000 1.028 238 Y CB 1.709 40.228 38.460 0.098 0.000 1.297 238 Y HN -0.273 nan 8.280 nan 0.000 0.463 239 I N 1.847 122.542 120.570 0.208 0.000 2.562 239 I HA 0.621 4.791 4.170 0.001 0.000 0.301 239 I C -0.295 175.904 176.117 0.137 0.000 1.003 239 I CA -0.298 61.102 61.300 0.167 0.000 1.127 239 I CB 1.567 39.640 38.000 0.122 0.000 1.304 239 I HN 0.644 nan 8.210 nan 0.000 0.446 240 S N 6.801 122.567 115.700 0.110 0.000 2.617 240 S HA 0.858 5.328 4.470 0.001 0.000 0.283 240 S C -0.869 173.677 174.600 -0.091 0.000 1.189 240 S CA -0.641 57.583 58.200 0.040 0.000 1.036 240 S CB 1.330 64.596 63.200 0.112 0.000 1.014 240 S HN 0.433 nan 8.310 nan 0.000 0.522 241 L N 2.222 123.284 121.223 -0.270 0.000 2.381 241 L HA 0.572 4.912 4.340 0.001 0.000 0.268 241 L C -0.955 175.793 176.870 -0.204 0.000 0.997 241 L CA -0.516 53.996 54.840 -0.546 0.000 0.818 241 L CB 1.978 43.097 42.059 -1.568 0.000 1.310 241 L HN 0.723 nan 8.230 nan 0.000 0.416 242 H N 1.652 120.640 119.070 -0.135 0.000 2.538 242 H HA 0.803 5.359 4.556 0.000 0.000 0.353 242 H C -1.016 174.412 175.328 0.168 0.000 1.109 242 H CA -0.862 55.212 56.048 0.043 0.000 1.192 242 H CB 2.022 31.834 29.762 0.082 0.000 1.555 242 H HN 0.427 nan 8.280 nan 0.000 0.518 243 Q N 2.407 122.344 119.800 0.228 0.000 2.313 243 Q HA 0.343 4.683 4.340 0.001 0.000 0.255 243 Q C -2.097 173.705 176.000 -0.329 0.000 0.944 243 Q CA -0.497 55.318 55.803 0.019 0.000 0.881 243 Q CB 0.873 29.797 28.738 0.310 0.000 1.375 243 Q HN 0.562 nan 8.270 nan 0.000 0.422 244 Y N 2.272 122.498 120.300 -0.123 0.000 2.509 244 Y HA 0.693 5.243 4.550 0.000 0.000 0.341 244 Y C -0.786 174.927 175.900 -0.311 0.000 1.038 244 Y CA -0.645 57.415 58.100 -0.067 0.000 1.089 244 Y CB 1.529 40.109 38.460 0.199 0.000 1.241 244 Y HN 0.540 nan 8.280 nan 0.000 0.468 245 Y N -0.140 120.413 120.300 0.421 0.000 2.630 245 Y HA 0.839 5.390 4.550 0.001 0.000 0.337 245 Y C 0.411 176.509 175.900 0.329 0.000 1.051 245 Y CA -1.675 56.615 58.100 0.316 0.000 1.121 245 Y CB 2.230 40.850 38.460 0.266 0.000 1.299 245 Y HN 0.661 nan 8.280 nan 0.000 0.498 246 G N 0.380 109.401 108.800 0.368 0.000 2.704 246 G HA2 0.358 4.318 3.960 0.001 0.000 0.293 246 G HA3 0.358 4.318 3.960 0.001 0.000 0.293 246 G C -1.695 172.731 174.900 -0.791 0.000 1.421 246 G CA -0.846 44.066 45.100 -0.313 0.000 0.870 246 G HN 0.449 nan 8.290 nan 0.000 0.492 247 N N -0.150 117.365 118.700 -1.975 0.000 2.696 247 N HA 0.204 4.944 4.740 0.001 0.000 0.308 247 N C 0.918 175.914 175.510 -0.857 0.000 1.915 247 N CA -0.389 51.805 53.050 -1.427 0.000 0.906 247 N CB 0.777 38.126 38.487 -1.896 0.000 1.284 247 N HN 0.477 nan 8.380 nan 0.000 0.488 248 K N -0.294 119.785 120.400 -0.535 0.000 2.296 248 K HA 0.081 4.402 4.320 0.001 0.000 0.200 248 K C 0.791 177.316 176.600 -0.126 0.000 1.048 248 K CA 0.805 56.984 56.287 -0.180 0.000 0.966 248 K CB 0.404 32.846 32.500 -0.096 0.000 0.754 248 K HN 0.407 nan 8.250 nan 0.000 0.466 249 E N 0.353 120.460 120.200 -0.155 0.000 2.358 249 E HA -0.091 4.259 4.350 0.001 0.000 0.195 249 E C 0.250 176.812 176.600 -0.062 0.000 1.010 249 E CA 0.101 56.452 56.400 -0.083 0.000 0.856 249 E CB 0.033 29.696 29.700 -0.062 0.000 0.795 249 E HN 0.182 nan 8.360 nan 0.000 0.504 250 N N 0.967 119.606 118.700 -0.102 0.000 2.828 250 N HA -0.165 4.575 4.740 0.001 0.000 0.248 250 N C -1.090 174.413 175.510 -0.012 0.000 1.044 250 N CA 0.966 53.983 53.050 -0.054 0.000 0.851 250 N CB -0.927 37.556 38.487 -0.006 0.000 1.136 250 N HN 0.137 nan 8.380 nan 0.000 0.572 251 D N -0.350 120.045 120.400 -0.008 0.000 2.441 251 D HA 0.219 4.859 4.640 0.001 0.000 0.221 251 D C 1.248 177.607 176.300 0.100 0.000 1.156 251 D CA 0.424 54.456 54.000 0.053 0.000 0.896 251 D CB 0.635 41.473 40.800 0.064 0.000 1.028 251 D HN 0.240 nan 8.370 nan 0.000 0.509 252 T N 1.840 116.462 114.554 0.113 0.000 2.821 252 T HA -0.090 4.261 4.350 0.001 0.000 0.267 252 T C 1.732 176.537 174.700 0.175 0.000 1.046 252 T CA 1.560 63.768 62.100 0.179 0.000 1.139 252 T CB 0.081 69.034 68.868 0.143 0.000 0.871 252 T HN 0.371 nan 8.240 nan 0.000 0.454 253 A N 0.633 123.527 122.820 0.123 0.000 1.930 253 A HA -0.024 4.296 4.320 0.001 0.000 0.217 253 A C 2.106 179.789 177.584 0.164 0.000 1.175 253 A CA 2.066 54.175 52.037 0.119 0.000 0.627 253 A CB -0.923 18.151 19.000 0.124 0.000 0.815 253 A HN 0.638 nan 8.150 nan 0.000 0.443 254 D N -1.670 118.837 120.400 0.179 0.000 2.149 254 D HA -0.118 4.523 4.640 0.001 0.000 0.201 254 D C 1.592 177.994 176.300 0.170 0.000 0.972 254 D CA 1.023 55.148 54.000 0.208 0.000 0.835 254 D CB -0.207 40.718 40.800 0.210 0.000 0.966 254 D HN 0.299 nan 8.370 nan 0.000 0.476 255 F N 1.053 121.001 119.950 -0.004 0.000 2.095 255 F HA -0.084 4.443 4.527 0.000 0.000 0.298 255 F C 1.723 177.461 175.800 -0.104 0.000 1.104 255 F CA 1.312 59.277 58.000 -0.059 0.000 1.232 255 F CB -0.475 38.497 39.000 -0.047 0.000 0.987 255 F HN 0.005 nan 8.300 nan 0.000 0.475 256 L N -0.323 120.795 121.223 -0.175 0.000 2.465 256 L HA -0.034 4.306 4.340 0.001 0.000 0.224 256 L C 2.385 179.108 176.870 -0.245 0.000 1.145 256 L CA 0.723 55.395 54.840 -0.279 0.000 0.834 256 L CB -0.975 41.009 42.059 -0.124 0.000 0.944 256 L HN 0.236 nan 8.230 nan 0.000 0.451 257 A N -0.230 122.444 122.820 -0.244 0.000 2.169 257 A HA -0.051 4.269 4.320 0.001 0.000 0.212 257 A C 2.024 179.269 177.584 -0.565 0.000 1.153 257 A CA 0.422 52.237 52.037 -0.369 0.000 0.756 257 A CB -0.145 18.601 19.000 -0.423 0.000 0.813 257 A HN 0.262 nan 8.150 nan 0.000 0.471 258 K N 0.897 120.961 120.400 -0.559 0.000 2.574 258 K HA -0.060 4.260 4.320 0.001 0.000 0.193 258 K C 1.677 177.924 176.600 -0.588 0.000 1.035 258 K CA 1.032 56.932 56.287 -0.645 0.000 0.982 258 K CB -0.088 31.889 32.500 -0.871 0.000 0.795 258 K HN 0.644 nan 8.250 nan 0.000 0.491 259 S N 0.306 115.776 115.700 -0.383 0.000 2.522 259 S HA -0.064 4.406 4.470 0.001 0.000 0.227 259 S C 1.149 175.698 174.600 -0.085 0.000 0.986 259 S CA 0.623 58.717 58.200 -0.177 0.000 0.929 259 S CB 0.070 63.190 63.200 -0.134 0.000 0.769 259 S HN 0.137 nan 8.310 nan 0.000 0.529 260 D N 2.517 122.836 120.400 -0.134 0.000 2.117 260 D HA -0.051 4.590 4.640 0.001 0.000 0.198 260 D C 1.451 177.771 176.300 0.034 0.000 0.982 260 D CA 1.244 55.211 54.000 -0.054 0.000 0.828 260 D CB -0.395 40.342 40.800 -0.104 0.000 0.967 260 D HN 0.363 nan 8.370 nan 0.000 0.464 261 D N 0.147 120.566 120.400 0.032 0.000 2.117 261 D HA -0.126 4.514 4.640 0.001 0.000 0.197 261 D C 2.159 178.613 176.300 0.256 0.000 0.987 261 D CA 0.308 54.401 54.000 0.154 0.000 0.829 261 D CB -0.417 40.491 40.800 0.181 0.000 0.961 261 D HN 0.136 nan 8.370 nan 0.000 0.460 262 L N 1.206 122.600 121.223 0.284 0.000 2.012 262 L HA -0.204 4.137 4.340 0.001 0.000 0.210 262 L C 1.778 178.796 176.870 0.246 0.000 1.073 262 L CA 1.882 56.941 54.840 0.365 0.000 0.748 262 L CB -0.560 41.662 42.059 0.271 0.000 0.891 262 L HN -0.136 nan 8.230 nan 0.000 0.431 263 D N -0.899 119.591 120.400 0.150 0.000 2.104 263 D HA -0.216 4.424 4.640 0.001 0.000 0.194 263 D C 1.710 178.079 176.300 0.114 0.000 0.994 263 D CA 1.550 55.625 54.000 0.124 0.000 0.830 263 D CB -0.058 40.830 40.800 0.146 0.000 0.959 263 D HN 0.418 nan 8.370 nan 0.000 0.452 264 D N -0.739 119.758 120.400 0.162 0.000 2.144 264 D HA -0.147 4.493 4.640 0.001 0.000 0.199 264 D C 1.747 178.200 176.300 0.255 0.000 0.984 264 D CA 0.433 54.540 54.000 0.179 0.000 0.834 264 D CB -0.496 40.407 40.800 0.172 0.000 0.955 264 D HN 0.243 nan 8.370 nan 0.000 0.465 265 F N 1.569 121.580 119.950 0.103 0.000 2.095 265 F HA -0.134 4.393 4.527 0.001 0.000 0.298 265 F C 2.099 177.962 175.800 0.105 0.000 1.104 265 F CA 0.875 58.938 58.000 0.104 0.000 1.232 265 F CB -0.772 38.278 39.000 0.083 0.000 0.987 265 F HN -0.121 nan 8.300 nan 0.000 0.475 266 I N 0.281 120.814 120.570 -0.062 0.000 2.163 266 I HA -0.348 3.823 4.170 0.001 0.000 0.243 266 I C 2.663 178.675 176.117 -0.174 0.000 1.085 266 I CA 1.615 62.760 61.300 -0.259 0.000 1.347 266 I CB -0.458 37.307 38.000 -0.392 0.000 1.044 266 I HN 0.055 nan 8.210 nan 0.000 0.408 267 R N -0.008 120.434 120.500 -0.097 0.000 2.096 267 R HA -0.133 4.208 4.340 0.001 0.000 0.235 267 R C 2.489 178.825 176.300 0.061 0.000 1.127 267 R CA 1.631 57.732 56.100 0.003 0.000 0.968 267 R CB -0.413 29.930 30.300 0.071 0.000 0.861 267 R HN 0.271 nan 8.270 nan 0.000 0.440 268 S N 0.204 115.981 115.700 0.129 0.000 2.368 268 S HA -0.105 4.365 4.470 0.001 0.000 0.225 268 S C 2.052 176.725 174.600 0.122 0.000 1.030 268 S CA 1.236 59.537 58.200 0.169 0.000 0.999 268 S CB -0.079 63.339 63.200 0.363 0.000 0.844 268 S HN 0.089 nan 8.310 nan 0.000 0.459 269 V N 1.988 121.978 119.914 0.126 0.000 2.358 269 V HA -0.127 3.993 4.120 0.001 0.000 0.246 269 V C 2.028 178.144 176.094 0.037 0.000 1.047 269 V CA 1.388 63.733 62.300 0.074 0.000 1.035 269 V CB -0.641 31.175 31.823 -0.010 0.000 0.658 269 V HN 0.452 nan 8.190 nan 0.000 0.452 270 I N 0.655 121.235 120.570 0.018 0.000 2.163 270 I HA -0.282 3.888 4.170 0.001 0.000 0.243 270 I C 2.707 178.855 176.117 0.050 0.000 1.085 270 I CA 1.613 62.932 61.300 0.031 0.000 1.347 270 I CB -0.669 37.353 38.000 0.038 0.000 1.044 270 I HN 0.301 nan 8.210 nan 0.000 0.408 271 A N 0.544 123.396 122.820 0.054 0.000 1.883 271 A HA -0.227 4.093 4.320 0.001 0.000 0.217 271 A C 2.394 180.025 177.584 0.078 0.000 1.186 271 A CA 2.608 54.680 52.037 0.059 0.000 0.624 271 A CB -1.183 17.842 19.000 0.042 0.000 0.822 271 A HN 0.414 nan 8.150 nan 0.000 0.444 272 T N -0.783 113.807 114.554 0.060 0.000 2.746 272 T HA -0.195 4.155 4.350 0.001 0.000 0.267 272 T C 1.908 176.700 174.700 0.154 0.000 1.039 272 T CA 1.543 63.697 62.100 0.090 0.000 1.142 272 T CB -0.727 68.155 68.868 0.023 0.000 0.866 272 T HN 0.578 nan 8.240 nan 0.000 0.444 273 C N 1.610 120.974 119.300 0.107 0.000 2.432 273 C HA -0.079 4.381 4.460 0.001 0.000 0.277 273 C C 2.643 177.701 174.990 0.114 0.000 1.249 273 C CA 0.492 59.574 59.018 0.108 0.000 1.725 273 C CB -0.978 26.788 27.740 0.043 0.000 2.028 273 C HN 0.547 nan 8.230 nan 0.000 0.477 274 D N -0.759 119.695 120.400 0.090 0.000 2.178 274 D HA -0.115 4.526 4.640 0.001 0.000 0.202 274 D C 1.675 178.018 176.300 0.072 0.000 0.974 274 D CA 1.064 55.105 54.000 0.067 0.000 0.841 274 D CB -0.511 40.325 40.800 0.060 0.000 0.953 274 D HN 0.671 nan 8.370 nan 0.000 0.478 275 Y N 1.587 121.878 120.300 -0.015 0.000 2.114 275 Y HA -0.197 4.353 4.550 0.001 0.000 0.284 275 Y C 2.005 177.867 175.900 -0.063 0.000 1.143 275 Y CA 1.339 59.417 58.100 -0.036 0.000 1.135 275 Y CB -0.357 38.083 38.460 -0.032 0.000 0.980 275 Y HN -0.141 nan 8.280 nan 0.000 0.499 276 I N 1.170 121.592 120.570 -0.247 0.000 2.286 276 I HA -0.275 3.895 4.170 0.001 0.000 0.248 276 I C 2.428 178.279 176.117 -0.443 0.000 1.115 276 I CA 1.614 62.680 61.300 -0.390 0.000 1.392 276 I CB -1.300 36.648 38.000 -0.087 0.000 1.065 276 I HN 0.346 nan 8.210 nan 0.000 0.418 277 K N 1.374 121.610 120.400 -0.273 0.000 2.032 277 K HA -0.204 4.117 4.320 0.001 0.000 0.209 277 K C 2.184 178.598 176.600 -0.309 0.000 1.048 277 K CA 1.886 57.979 56.287 -0.323 0.000 0.927 277 K CB 0.004 32.468 32.500 -0.060 0.000 0.712 277 K HN 0.260 nan 8.250 nan 0.000 0.441 278 A N 1.278 123.958 122.820 -0.233 0.000 1.930 278 A HA -0.179 4.141 4.320 0.001 0.000 0.217 278 A C 2.020 179.449 177.584 -0.259 0.000 1.175 278 A CA 1.723 53.642 52.037 -0.196 0.000 0.627 278 A CB -0.413 18.512 19.000 -0.125 0.000 0.815 278 A HN 0.392 nan 8.150 nan 0.000 0.443 279 K N -0.395 119.775 120.400 -0.383 0.000 2.097 279 K HA -0.129 4.191 4.320 0.001 0.000 0.206 279 K C 1.506 177.906 176.600 -0.332 0.000 1.049 279 K CA 1.422 57.474 56.287 -0.392 0.000 0.933 279 K CB 0.000 32.166 32.500 -0.557 0.000 0.717 279 K HN 0.213 nan 8.250 nan 0.000 0.442 280 K N 0.401 120.559 120.400 -0.403 0.000 2.379 280 K HA 0.044 4.365 4.320 0.001 0.000 0.194 280 K C -0.020 176.408 176.600 -0.287 0.000 1.031 280 K CA 0.210 56.263 56.287 -0.391 0.000 1.037 280 K CB 0.343 32.460 32.500 -0.638 0.000 0.824 280 K HN 0.095 nan 8.250 nan 0.000 0.516 281 R N 0.938 121.288 120.500 -0.250 0.000 3.251 281 R HA -0.136 4.205 4.340 0.001 0.000 0.249 281 R C -0.205 176.000 176.300 -0.158 0.000 0.949 281 R CA 0.568 56.565 56.100 -0.171 0.000 0.645 281 R CB -2.391 27.833 30.300 -0.127 0.000 1.065 281 R HN 0.038 nan 8.270 nan 0.000 0.452 282 S N -0.606 114.977 115.700 -0.196 0.000 2.541 282 S HA 0.388 4.858 4.470 0.001 0.000 0.283 282 S C 1.031 175.598 174.600 -0.055 0.000 1.196 282 S CA -0.919 57.206 58.200 -0.125 0.000 1.062 282 S CB 1.232 64.346 63.200 -0.144 0.000 1.009 282 S HN 0.290 nan 8.310 nan 0.000 0.502 283 K N 2.147 122.531 120.400 -0.026 0.000 2.288 283 K HA 0.054 4.374 4.320 0.001 0.000 0.201 283 K C 0.613 177.214 176.600 0.001 0.000 1.048 283 K CA 0.702 56.982 56.287 -0.013 0.000 0.956 283 K CB 0.015 32.509 32.500 -0.010 0.000 0.746 283 K HN 0.483 nan 8.250 nan 0.000 0.461 284 K N 1.534 121.952 120.400 0.030 0.000 2.205 284 K HA 0.035 4.356 4.320 0.001 0.000 0.279 284 K C -0.983 175.602 176.600 -0.025 0.000 1.027 284 K CA -0.407 55.882 56.287 0.003 0.000 0.932 284 K CB 0.782 33.283 32.500 0.003 0.000 1.032 284 K HN -0.116 nan 8.250 nan 0.000 0.466 285 D N 4.237 124.513 120.400 -0.208 0.000 2.225 285 D HA 0.180 4.820 4.640 0.001 0.000 0.248 285 D C 0.239 176.145 176.300 -0.658 0.000 1.096 285 D CA -0.339 53.435 54.000 -0.376 0.000 0.863 285 D CB 0.967 41.467 40.800 -0.500 0.000 1.156 285 D HN 0.389 nan 8.370 nan 0.000 0.450 286 I N 2.656 122.919 120.570 -0.510 0.000 2.496 286 I HA 0.027 4.197 4.170 0.001 0.000 0.285 286 I C 0.197 176.006 176.117 -0.513 0.000 1.080 286 I CA -0.044 60.940 61.300 -0.527 0.000 1.404 286 I CB -0.297 37.471 38.000 -0.387 0.000 1.403 286 I HN 0.203 nan 8.210 nan 0.000 0.539 287 Y N 5.429 125.593 120.300 -0.227 0.000 2.453 287 Y HA 0.416 4.967 4.550 0.000 0.000 0.326 287 Y C 0.065 176.025 175.900 0.101 0.000 1.186 287 Y CA -0.946 57.099 58.100 -0.091 0.000 1.200 287 Y CB 0.984 39.350 38.460 -0.156 0.000 1.247 287 Y HN 0.253 nan 8.280 nan 0.000 0.482 288 L N 1.580 123.009 121.223 0.343 0.000 2.275 288 L HA 0.360 4.700 4.340 0.001 0.000 0.288 288 L C 0.083 177.115 176.870 0.271 0.000 1.046 288 L CA -0.157 54.826 54.840 0.237 0.000 0.805 288 L CB 1.329 43.453 42.059 0.109 0.000 1.193 288 L HN 0.561 nan 8.230 nan 0.000 0.426 289 S N 3.839 119.659 115.700 0.201 0.000 2.461 289 S HA 0.399 4.869 4.470 0.001 0.000 0.322 289 S C -0.484 174.169 174.600 0.089 0.000 1.063 289 S CA -0.443 57.804 58.200 0.080 0.000 1.120 289 S CB -0.070 63.094 63.200 -0.060 0.000 0.968 289 S HN 0.327 nan 8.310 nan 0.000 0.467 290 F N 5.112 125.077 119.950 0.024 0.000 2.573 290 F HA 0.283 4.810 4.527 0.000 0.000 0.349 290 F C 0.638 176.504 175.800 0.111 0.000 1.213 290 F CA -1.443 56.589 58.000 0.052 0.000 1.300 290 F CB 0.192 39.180 39.000 -0.020 0.000 1.661 290 F HN 0.690 nan 8.300 nan 0.000 0.616 291 D N 0.053 120.580 120.400 0.212 0.000 2.319 291 D HA 0.010 4.651 4.640 0.001 0.000 0.230 291 D C -0.266 175.960 176.300 -0.124 0.000 1.094 291 D CA 0.316 54.343 54.000 0.045 0.000 0.856 291 D CB -0.171 40.582 40.800 -0.079 0.000 0.915 291 D HN 0.425 nan 8.370 nan 0.000 0.517 292 E N 0.542 120.739 120.200 -0.004 0.000 2.334 292 E HA 0.285 4.635 4.350 0.001 0.000 0.280 292 E C -1.319 175.305 176.600 0.041 0.000 0.899 292 E CA -0.861 55.437 56.400 -0.170 0.000 0.813 292 E CB 1.592 30.916 29.700 -0.626 0.000 1.318 292 E HN 0.318 nan 8.360 nan 0.000 0.399 293 W N 2.912 124.113 121.300 -0.164 0.000 3.213 293 W HA 0.729 5.390 4.660 0.000 0.000 0.318 293 W C -1.278 175.183 176.519 -0.096 0.000 1.248 293 W CA -0.621 56.582 57.345 -0.237 0.000 1.187 293 W CB 1.367 30.644 29.460 -0.306 0.000 1.403 293 W HN 0.488 nan 8.180 nan 0.000 0.556 294 N N -0.064 118.725 118.700 0.147 0.000 4.844 294 N HA 0.084 4.825 4.740 0.001 0.000 0.209 294 N C -2.201 173.571 175.510 0.437 0.000 1.196 294 N CA -0.497 52.638 53.050 0.142 0.000 0.770 294 N CB 1.243 39.724 38.487 -0.010 0.000 1.559 294 N HN 0.318 nan 8.380 nan 0.000 0.471 295 V N 1.574 121.743 119.914 0.424 0.000 2.583 295 V HA 0.542 4.662 4.120 0.001 0.000 0.287 295 V C -0.508 176.060 176.094 0.790 0.000 1.051 295 V CA 0.086 62.772 62.300 0.643 0.000 1.010 295 V CB 0.864 33.098 31.823 0.686 0.000 0.988 295 V HN 0.620 nan 8.190 nan 0.000 0.478 296 W N 8.490 130.085 121.300 0.493 0.000 3.097 296 W HA 0.554 5.214 4.660 0.001 0.000 0.325 296 W C -0.915 175.754 176.519 0.250 0.000 1.056 296 W CA -1.517 55.984 57.345 0.260 0.000 1.254 296 W CB 1.140 30.583 29.460 -0.028 0.000 1.202 296 W HN 0.673 nan 8.180 nan 0.000 0.400 297 Y N 1.239 121.633 120.300 0.157 0.000 2.498 297 Y HA 0.218 4.768 4.550 0.000 0.000 0.298 297 Y C 1.474 177.322 175.900 -0.086 0.000 0.994 297 Y CA 0.636 58.654 58.100 -0.136 0.000 0.958 297 Y CB -0.318 38.008 38.460 -0.222 0.000 1.402 297 Y HN 0.251 nan 8.280 nan 0.000 0.581 298 H N 1.670 120.400 119.070 -0.567 0.000 2.353 298 H HA -0.099 4.457 4.556 0.000 0.000 0.298 298 H C 2.051 177.255 175.328 -0.207 0.000 1.103 298 H CA 2.815 58.555 56.048 -0.513 0.000 1.293 298 H CB 0.086 29.503 29.762 -0.575 0.000 1.372 298 H HN 0.511 nan 8.280 nan 0.000 0.501 299 S N -0.290 115.419 115.700 0.015 0.000 2.593 299 S HA -0.017 4.453 4.470 0.001 0.000 0.217 299 S C 1.419 176.049 174.600 0.049 0.000 0.966 299 S CA 0.212 58.422 58.200 0.017 0.000 0.914 299 S CB -0.151 63.045 63.200 -0.006 0.000 0.776 299 S HN 0.429 nan 8.310 nan 0.000 0.523 300 N N 2.377 121.107 118.700 0.050 0.000 2.094 300 N HA -0.168 4.572 4.740 0.001 0.000 0.191 300 N C 1.411 176.923 175.510 0.003 0.000 1.023 300 N CA 1.608 54.668 53.050 0.017 0.000 0.857 300 N CB -0.283 38.174 38.487 -0.050 0.000 1.013 300 N HN 0.410 nan 8.380 nan 0.000 0.426 301 N N 0.487 119.185 118.700 -0.003 0.000 2.106 301 N HA -0.118 4.623 4.740 0.001 0.000 0.188 301 N C 2.071 177.578 175.510 -0.005 0.000 1.029 301 N CA 1.623 54.669 53.050 -0.007 0.000 0.848 301 N CB -0.584 37.898 38.487 -0.007 0.000 1.007 301 N HN 0.393 nan 8.380 nan 0.000 0.423 302 E N 0.885 121.081 120.200 -0.007 0.000 2.209 302 E HA -0.151 4.199 4.350 0.001 0.000 0.196 302 E C 1.145 177.741 176.600 -0.007 0.000 0.993 302 E CA 1.553 57.946 56.400 -0.012 0.000 0.819 302 E CB -0.671 nan 29.700 nan 0.000 0.745 302 E HN 0.341 nan 8.360 nan 0.000 0.477 303 D N -0.991 119.414 120.400 0.008 0.000 2.349 303 D HA 0.239 4.879 4.640 0.001 0.000 0.224 303 D C 1.551 177.863 176.300 0.020 0.000 1.029 303 D CA 0.859 54.873 54.000 0.024 0.000 0.879 303 D CB 0.499 41.339 40.800 0.066 0.000 0.906 303 D HN 0.476 nan 8.370 nan 0.000 0.528 304 A N -0.096 122.727 122.820 0.005 0.000 2.348 304 A HA 0.080 4.401 4.320 0.001 0.000 0.224 304 A C 1.778 179.356 177.584 -0.010 0.000 1.227 304 A CA -0.085 51.950 52.037 -0.004 0.000 0.885 304 A CB 0.207 19.201 19.000 -0.010 0.000 0.933 304 A HN 0.033 nan 8.150 nan 0.000 0.506 305 N N 0.567 119.261 118.700 -0.010 0.000 2.278 305 N HA 0.082 4.822 4.740 0.001 0.000 0.181 305 N C 0.683 176.183 175.510 -0.017 0.000 1.023 305 N CA 0.668 53.711 53.050 -0.013 0.000 0.862 305 N CB -0.046 38.433 38.487 -0.013 0.000 1.003 305 N HN 0.550 nan 8.380 nan 0.000 0.431 306 I N 0.772 121.332 120.570 -0.017 0.000 2.471 306 I HA 0.174 4.344 4.170 0.001 0.000 0.286 306 I C -0.106 175.994 176.117 -0.028 0.000 1.079 306 I CA -0.122 61.164 61.300 -0.024 0.000 1.398 306 I CB 0.044 38.032 38.000 -0.020 0.000 1.403 306 I HN 0.129 nan 8.210 nan 0.000 0.530 307 M N 3.603 123.171 119.600 -0.054 0.000 4.030 307 M HA -0.154 4.326 4.480 0.001 0.000 0.157 307 M C -0.071 176.203 176.300 -0.044 0.000 1.529 307 M CA 0.968 56.226 55.300 -0.069 0.000 1.092 307 M CB -1.312 31.253 32.600 -0.058 0.000 1.345 307 M HN 0.920 nan 8.290 nan 0.000 0.212 308 Q N 0.721 120.495 119.800 -0.043 0.000 2.824 308 Q HA 0.628 4.968 4.340 0.001 0.000 0.371 308 Q C -0.031 175.947 176.000 -0.037 0.000 1.071 308 Q CA 0.454 56.223 55.803 -0.056 0.000 1.064 308 Q CB 0.245 28.953 28.738 -0.049 0.000 1.332 308 Q HN 0.904 nan 8.270 nan 0.000 0.445 309 N N -0.784 117.895 118.700 -0.035 0.000 2.448 309 N HA 0.639 5.379 4.740 0.001 0.000 0.274 309 N C 0.904 176.394 175.510 -0.032 0.000 1.239 309 N CA 0.363 53.399 53.050 -0.023 0.000 0.982 309 N CB 0.367 nan 38.487 nan 0.000 1.199 309 N HN 0.748 nan 8.380 nan 0.000 0.576 310 E N -1.544 118.650 120.200 -0.011 0.000 3.247 310 E HA -0.186 4.164 4.350 0.001 0.000 0.424 310 E C -1.583 175.021 176.600 0.006 0.000 1.544 310 E CA 1.587 57.988 56.400 0.002 0.000 1.208 310 E CB -2.565 27.131 29.700 -0.006 0.000 1.473 310 E HN 1.025 nan 8.360 nan 0.000 0.472 311 P HA 0.429 nan 4.420 nan 0.000 0.346 311 P C -0.381 176.908 177.300 -0.018 0.000 1.303 311 P CA 0.082 63.078 63.100 -0.173 0.000 0.801 311 P CB -0.177 31.234 31.700 -0.481 0.000 1.827 312 W N -3.271 118.059 121.300 0.049 0.000 4.949 312 W HA -0.114 4.546 4.660 0.001 0.000 0.380 312 W C 0.755 177.295 176.519 0.036 0.000 1.446 312 W CA 0.075 57.449 57.345 0.048 0.000 0.869 312 W CB -2.457 27.025 29.460 0.037 0.000 2.591 312 W HN 0.523 nan 8.180 nan 0.000 1.398 313 R N 0.739 121.347 120.500 0.179 0.000 2.549 313 R HA 0.817 5.157 4.340 0.001 0.000 0.267 313 R C 0.167 176.532 176.300 0.109 0.000 1.045 313 R CA -0.387 55.783 56.100 0.116 0.000 1.115 313 R CB 0.673 31.009 30.300 0.060 0.000 1.121 313 R HN 0.310 nan 8.270 nan 0.000 0.543 314 I N 1.714 122.321 120.570 0.061 0.000 2.395 314 I HA 0.402 4.572 4.170 0.001 0.000 0.289 314 I C 1.007 177.137 176.117 0.022 0.000 1.023 314 I CA 0.152 61.465 61.300 0.022 0.000 1.350 314 I CB 1.506 39.481 38.000 -0.043 0.000 1.409 314 I HN 1.059 nan 8.210 nan 0.000 0.507 315 A N 6.218 129.062 122.820 0.041 0.000 2.203 315 A HA -0.131 4.189 4.320 0.001 0.000 0.279 315 A C -2.324 175.262 177.584 0.003 0.000 1.396 315 A CA -0.370 51.692 52.037 0.042 0.000 0.747 315 A CB -1.820 17.232 19.000 0.087 0.000 1.151 315 A HN 0.515 nan 8.150 nan 0.000 0.345 316 P HA 0.363 nan 4.420 nan 0.000 0.281 316 P C -2.655 174.607 177.300 -0.062 0.000 1.249 316 P CA -1.986 61.100 63.100 -0.023 0.000 0.810 316 P CB 0.208 31.902 31.700 -0.009 0.000 1.008 317 P HA 0.094 nan 4.420 nan 0.000 0.238 317 P C -0.407 176.826 177.300 -0.111 0.000 1.679 317 P CA 0.505 63.553 63.100 -0.086 0.000 1.080 317 P CB -0.372 31.292 31.700 -0.061 0.000 1.961 318 L N 2.354 123.480 121.223 -0.161 0.000 2.307 318 L HA 0.274 4.614 4.340 0.001 0.000 0.282 318 L C 1.008 177.704 176.870 -0.290 0.000 1.051 318 L CA -1.042 53.679 54.840 -0.198 0.000 0.804 318 L CB 0.800 42.719 42.059 -0.235 0.000 1.197 318 L HN -0.021 nan 8.230 nan 0.000 0.431 319 L N 2.356 123.430 121.223 -0.248 0.000 3.608 319 L HA -0.212 4.128 4.340 0.001 0.000 0.422 319 L C 0.090 176.764 176.870 -0.326 0.000 1.260 319 L CA 0.822 55.458 54.840 -0.340 0.000 0.889 319 L CB -1.573 40.103 42.059 -0.638 0.000 1.821 319 L HN 0.663 nan 8.230 nan 0.000 0.884 320 E N -0.027 120.037 120.200 -0.225 0.000 2.127 320 E HA 0.192 4.543 4.350 0.001 0.000 0.262 320 E C 0.004 176.467 176.600 -0.228 0.000 1.144 320 E CA -0.578 55.691 56.400 -0.219 0.000 1.144 320 E CB 0.132 29.735 29.700 -0.162 0.000 1.297 320 E HN 0.276 nan 8.360 nan 0.000 0.469 321 D N 1.550 121.760 120.400 -0.318 0.000 2.458 321 D HA 0.029 4.669 4.640 0.001 0.000 0.243 321 D C -0.159 175.767 176.300 -0.623 0.000 1.146 321 D CA 0.194 53.908 54.000 -0.477 0.000 0.877 321 D CB 0.698 41.090 40.800 -0.680 0.000 1.176 321 D HN 0.214 nan 8.370 nan 0.000 0.461 322 I N 4.041 124.290 120.570 -0.534 0.000 2.291 322 I HA 0.114 4.284 4.170 0.001 0.000 0.290 322 I C -0.274 175.525 176.117 -0.529 0.000 1.050 322 I CA -0.660 60.419 61.300 -0.367 0.000 1.245 322 I CB -0.513 37.370 38.000 -0.194 0.000 1.405 322 I HN 0.238 nan 8.210 nan 0.000 0.478 323 Y N 4.499 124.761 120.300 -0.063 0.000 2.319 323 Y HA 0.257 4.808 4.550 0.000 0.000 0.328 323 Y C 1.596 177.529 175.900 0.055 0.000 1.133 323 Y CA -0.268 57.843 58.100 0.019 0.000 1.265 323 Y CB 0.820 39.350 38.460 0.116 0.000 1.218 323 Y HN 0.607 nan 8.280 nan 0.000 0.508 324 T N -0.715 114.008 114.554 0.282 0.000 2.849 324 T HA 0.131 4.482 4.350 0.001 0.000 0.276 324 T C 0.820 175.727 174.700 0.345 0.000 0.971 324 T CA -0.445 61.811 62.100 0.259 0.000 0.949 324 T CB 0.499 69.530 68.868 0.271 0.000 1.093 324 T HN 0.528 nan 8.240 nan 0.000 0.545 325 F N 1.871 121.914 119.950 0.155 0.000 2.113 325 F HA 0.010 4.538 4.527 0.000 0.000 0.297 325 F C 2.498 178.426 175.800 0.213 0.000 1.103 325 F CA 1.843 59.935 58.000 0.153 0.000 1.248 325 F CB -0.806 38.252 39.000 0.097 0.000 0.999 325 F HN 0.872 nan 8.300 nan 0.000 0.475 326 E N -0.606 119.624 120.200 0.049 0.000 2.160 326 E HA -0.251 4.099 4.350 0.001 0.000 0.195 326 E C 1.569 178.284 176.600 0.192 0.000 0.991 326 E CA 1.566 57.986 56.400 0.034 0.000 0.810 326 E CB -0.760 29.101 29.700 0.269 0.000 0.742 326 E HN 0.366 nan 8.360 nan 0.000 0.466 327 D N 1.540 122.167 120.400 0.379 0.000 2.117 327 D HA -0.135 4.505 4.640 0.001 0.000 0.197 327 D C 2.068 178.451 176.300 0.139 0.000 0.987 327 D CA 1.744 55.999 54.000 0.424 0.000 0.829 327 D CB -0.378 40.781 40.800 0.600 0.000 0.961 327 D HN 0.369 nan 8.370 nan 0.000 0.460 328 A N 0.611 123.469 122.820 0.064 0.000 1.933 328 A HA -0.113 4.208 4.320 0.001 0.000 0.218 328 A C 2.395 179.913 177.584 -0.110 0.000 1.175 328 A CA 0.863 52.888 52.037 -0.022 0.000 0.628 328 A CB -0.741 18.304 19.000 0.074 0.000 0.814 328 A HN 0.200 nan 8.150 nan 0.000 0.444 329 L N -1.212 119.901 121.223 -0.183 0.000 2.046 329 L HA -0.168 4.173 4.340 0.001 0.000 0.208 329 L C 2.541 179.365 176.870 -0.077 0.000 1.077 329 L CA 1.122 55.884 54.840 -0.130 0.000 0.747 329 L CB -0.506 41.412 42.059 -0.235 0.000 0.896 329 L HN 0.446 nan 8.230 nan 0.000 0.432 330 L N -0.638 120.501 121.223 -0.140 0.000 2.027 330 L HA -0.138 4.202 4.340 0.001 0.000 0.206 330 L C 2.414 179.265 176.870 -0.032 0.000 1.074 330 L CA 1.517 56.250 54.840 -0.177 0.000 0.745 330 L CB -0.388 41.427 42.059 -0.407 0.000 0.898 330 L HN -0.096 nan 8.230 nan 0.000 0.433 331 V N 0.230 120.161 119.914 0.030 0.000 2.324 331 V HA -0.300 3.820 4.120 0.001 0.000 0.250 331 V C 2.566 178.687 176.094 0.045 0.000 1.060 331 V CA 1.951 64.337 62.300 0.142 0.000 1.042 331 V CB -1.576 30.295 31.823 0.081 0.000 0.650 331 V HN 0.667 nan 8.190 nan 0.000 0.450 332 G N -0.682 108.064 108.800 -0.089 0.000 2.404 332 G HA2 -0.201 3.760 3.960 0.001 0.000 0.215 332 G HA3 -0.201 3.760 3.960 0.001 0.000 0.215 332 G C 1.583 176.598 174.900 0.192 0.000 1.174 332 G CA 0.880 45.927 45.100 -0.087 0.000 0.780 332 G HN 0.474 nan 8.290 nan 0.000 0.537 333 L N -0.167 121.122 121.223 0.109 0.000 2.083 333 L HA -0.035 4.305 4.340 0.001 0.000 0.209 333 L C 3.082 179.928 176.870 -0.041 0.000 1.083 333 L CA 0.989 55.857 54.840 0.046 0.000 0.752 333 L CB -0.260 41.783 42.059 -0.027 0.000 0.899 333 L HN 0.225 nan 8.230 nan 0.000 0.433 334 M N -0.937 118.611 119.600 -0.086 0.000 2.117 334 M HA -0.227 4.253 4.480 0.001 0.000 0.262 334 M C 2.276 178.323 176.300 -0.422 0.000 1.065 334 M CA 1.767 56.928 55.300 -0.232 0.000 1.114 334 M CB -0.358 32.123 32.600 -0.198 0.000 1.361 334 M HN 0.205 nan 8.290 nan 0.000 0.408 335 L N -0.062 120.948 121.223 -0.356 0.000 2.046 335 L HA -0.208 4.132 4.340 0.001 0.000 0.208 335 L C 2.335 179.077 176.870 -0.213 0.000 1.077 335 L CA 1.157 55.791 54.840 -0.342 0.000 0.747 335 L CB -0.506 41.454 42.059 -0.166 0.000 0.896 335 L HN 0.292 nan 8.230 nan 0.000 0.432 336 I N -0.657 119.866 120.570 -0.078 0.000 2.208 336 I HA -0.304 3.866 4.170 0.001 0.000 0.245 336 I C 2.373 178.439 176.117 -0.086 0.000 1.097 336 I CA 1.611 62.881 61.300 -0.050 0.000 1.363 336 I CB -0.418 37.606 38.000 0.040 0.000 1.051 336 I HN 0.289 nan 8.210 nan 0.000 0.413 337 T N 1.017 115.509 114.554 -0.103 0.000 2.857 337 T HA -0.041 4.309 4.350 0.001 0.000 0.266 337 T C 1.950 176.607 174.700 -0.072 0.000 1.048 337 T CA 0.886 62.952 62.100 -0.057 0.000 1.139 337 T CB -0.170 68.670 68.868 -0.046 0.000 0.874 337 T HN 0.218 nan 8.240 nan 0.000 0.455 338 L N 0.329 121.402 121.223 -0.249 0.000 1.994 338 L HA -0.107 4.233 4.340 0.001 0.000 0.208 338 L C 2.689 179.451 176.870 -0.179 0.000 1.071 338 L CA 1.494 56.157 54.840 -0.294 0.000 0.745 338 L CB -0.494 41.242 42.059 -0.538 0.000 0.892 338 L HN 0.295 nan 8.230 nan 0.000 0.431 339 M N -0.763 118.722 119.600 -0.192 0.000 2.108 339 M HA -0.235 4.245 4.480 0.001 0.000 0.261 339 M C 2.227 178.464 176.300 -0.104 0.000 1.066 339 M CA 1.677 56.890 55.300 -0.145 0.000 1.107 339 M CB -0.334 32.186 32.600 -0.134 0.000 1.356 339 M HN 0.083 nan 8.290 nan 0.000 0.406 340 K N -0.644 119.689 120.400 -0.112 0.000 2.211 340 K HA -0.140 4.180 4.320 0.001 0.000 0.204 340 K C 0.827 177.251 176.600 -0.294 0.000 1.047 340 K CA 0.904 57.077 56.287 -0.190 0.000 0.935 340 K CB -0.152 32.220 32.500 -0.212 0.000 0.728 340 K HN 0.507 nan 8.250 nan 0.000 0.452 341 H N -1.089 117.945 119.070 -0.061 0.000 2.472 341 H HA 0.228 4.784 4.556 0.000 0.000 0.287 341 H C 0.906 176.217 175.328 -0.028 0.000 1.112 341 H CA -0.030 56.000 56.048 -0.030 0.000 1.021 341 H CB 0.693 30.445 29.762 -0.017 0.000 1.635 341 H HN 0.123 nan 8.280 nan 0.000 0.559 342 A N 0.955 123.782 122.820 0.012 0.000 2.216 342 A HA -0.138 4.183 4.320 0.001 0.000 0.214 342 A C 1.964 179.555 177.584 0.012 0.000 1.160 342 A CA 1.122 53.150 52.037 -0.015 0.000 0.725 342 A CB -0.100 18.865 19.000 -0.058 0.000 0.784 342 A HN 0.422 nan 8.150 nan 0.000 0.472 343 D N -0.839 119.591 120.400 0.050 0.000 2.234 343 D HA -0.117 4.523 4.640 0.001 0.000 0.205 343 D C 1.703 178.099 176.300 0.161 0.000 0.962 343 D CA 0.760 54.808 54.000 0.080 0.000 0.855 343 D CB -0.171 40.679 40.800 0.084 0.000 0.951 343 D HN 0.324 nan 8.370 nan 0.000 0.500 344 R N -0.015 120.599 120.500 0.190 0.000 2.194 344 R HA 0.339 4.679 4.340 0.001 0.000 0.194 344 R C 0.880 177.333 176.300 0.255 0.000 0.985 344 R CA -0.183 56.092 56.100 0.292 0.000 1.104 344 R CB 0.207 30.632 30.300 0.209 0.000 1.092 344 R HN 0.209 nan 8.270 nan 0.000 0.555 345 I N 3.208 123.872 120.570 0.156 0.000 2.406 345 I HA 0.023 4.193 4.170 0.001 0.000 0.293 345 I C 1.105 177.260 176.117 0.064 0.000 1.101 345 I CA 0.422 61.795 61.300 0.122 0.000 1.334 345 I CB 0.508 38.555 38.000 0.079 0.000 1.421 345 I HN -0.171 nan 8.210 nan 0.000 0.513 346 K N 6.323 126.786 120.400 0.106 0.000 2.402 346 K HA 0.453 4.774 4.320 0.001 0.000 0.203 346 K C 0.029 176.628 176.600 -0.002 0.000 1.077 346 K CA 0.250 56.557 56.287 0.034 0.000 1.051 346 K CB 1.216 33.731 32.500 0.024 0.000 0.907 346 K HN 0.491 nan 8.250 nan 0.000 0.554 347 I N 0.313 120.876 120.570 -0.011 0.000 2.802 347 I HA 0.431 4.601 4.170 0.001 0.000 0.298 347 I C -1.295 174.830 176.117 0.012 0.000 1.176 347 I CA -1.017 60.242 61.300 -0.069 0.000 1.025 347 I CB 2.436 40.306 38.000 -0.216 0.000 1.243 347 I HN -0.166 nan 8.210 nan 0.000 0.424 348 A N 3.650 126.500 122.820 0.050 0.000 2.594 348 A HA 0.822 5.142 4.320 0.001 0.000 0.295 348 A C -1.770 175.991 177.584 0.295 0.000 1.071 348 A CA -0.452 51.700 52.037 0.192 0.000 0.685 348 A CB 1.747 20.802 19.000 0.092 0.000 1.285 348 A HN 0.705 nan 8.150 nan 0.000 0.405 349 C N 1.554 121.104 119.300 0.416 0.000 2.432 349 C HA 0.544 5.004 4.460 0.001 0.000 0.334 349 C C -0.264 174.676 174.990 -0.084 0.000 1.155 349 C CA -0.507 58.648 59.018 0.229 0.000 1.335 349 C CB 0.434 28.226 27.740 0.087 0.000 1.964 349 C HN 0.912 nan 8.230 nan 0.000 0.444 350 L N 3.934 124.984 121.223 -0.288 0.000 2.500 350 L HA 0.490 4.830 4.340 0.001 0.000 0.272 350 L C 0.440 177.037 176.870 -0.455 0.000 1.149 350 L CA 0.564 54.860 54.840 -0.907 0.000 0.897 350 L CB 0.234 41.812 42.059 -0.802 0.000 1.178 350 L HN 0.816 nan 8.230 nan 0.000 0.473 351 A N 6.479 129.066 122.820 -0.388 0.000 2.256 351 A HA 0.657 4.978 4.320 0.001 0.000 0.317 351 A C -0.315 177.179 177.584 -0.149 0.000 1.318 351 A CA -0.568 51.438 52.037 -0.051 0.000 0.894 351 A CB 0.465 19.617 19.000 0.254 0.000 1.165 351 A HN 0.821 nan 8.150 nan 0.000 0.525 352 Q N 1.076 120.711 119.800 -0.275 0.000 2.814 352 Q HA 0.420 4.760 4.340 0.001 0.000 0.283 352 Q C 0.327 176.121 176.000 -0.344 0.000 1.071 352 Q CA -0.987 54.607 55.803 -0.348 0.000 0.849 352 Q CB 1.178 29.586 28.738 -0.551 0.000 1.437 352 Q HN 0.610 nan 8.270 nan 0.000 0.492 353 L N 0.120 121.151 121.223 -0.321 0.000 2.127 353 L HA 0.175 4.515 4.340 0.001 0.000 0.203 353 L C 0.004 176.723 176.870 -0.252 0.000 1.080 353 L CA 1.382 56.061 54.840 -0.269 0.000 0.768 353 L CB 0.667 42.638 42.059 -0.146 0.000 0.924 353 L HN 0.407 nan 8.230 nan 0.000 0.444 354 I N 0.651 121.055 120.570 -0.276 0.000 2.447 354 I HA 0.303 4.473 4.170 0.001 0.000 0.287 354 I C 0.375 176.309 176.117 -0.304 0.000 1.023 354 I CA -0.427 60.715 61.300 -0.263 0.000 1.083 354 I CB 1.135 38.986 38.000 -0.248 0.000 1.245 354 I HN 0.176 nan 8.210 nan 0.000 0.434 355 N N 3.047 121.573 118.700 -0.291 0.000 2.502 355 N HA -0.204 4.536 4.740 0.001 0.000 0.217 355 N C 0.491 175.817 175.510 -0.306 0.000 0.320 355 N CA 1.600 54.477 53.050 -0.288 0.000 4.005 355 N CB -1.021 37.311 38.487 -0.259 0.000 0.857 355 N HN 0.420 nan 8.380 nan 0.000 0.254 356 V N 4.629 124.323 119.914 -0.366 0.000 2.425 356 V HA 0.062 4.183 4.120 0.001 0.000 0.276 356 V C 1.347 177.196 176.094 -0.408 0.000 1.017 356 V CA 0.557 62.589 62.300 -0.446 0.000 1.062 356 V CB -0.929 30.562 31.823 -0.554 0.000 0.997 356 V HN 0.427 nan 8.190 nan 0.000 0.476 357 I N 2.772 123.112 120.570 -0.383 0.000 3.088 357 I HA -0.206 3.965 4.170 0.001 0.000 0.126 357 I C 0.249 176.327 176.117 -0.065 0.000 0.929 357 I CA 0.780 61.967 61.300 -0.187 0.000 2.771 357 I CB -1.298 36.493 38.000 -0.349 0.000 0.874 357 I HN 0.634 nan 8.210 nan 0.000 0.349 358 A N 5.529 128.346 122.820 -0.006 0.000 2.435 358 A HA 0.895 5.215 4.320 0.001 0.000 0.304 358 A C -1.626 175.880 177.584 -0.130 0.000 1.064 358 A CA -1.331 50.611 52.037 -0.158 0.000 0.727 358 A CB 1.604 20.455 19.000 -0.247 0.000 1.284 358 A HN 0.326 nan 8.150 nan 0.000 0.415 359 P HA 0.031 nan 4.420 nan 0.000 0.222 359 P C 0.150 177.380 177.300 -0.116 0.000 1.153 359 P CA 1.043 64.040 63.100 -0.173 0.000 0.798 359 P CB 0.100 31.619 31.700 -0.302 0.000 0.796 360 I N 0.204 120.660 120.570 -0.189 0.000 2.354 360 I HA 0.258 4.428 4.170 0.001 0.000 0.292 360 I C -0.306 175.566 176.117 -0.409 0.000 0.989 360 I CA -0.979 60.173 61.300 -0.247 0.000 1.188 360 I CB 2.240 40.165 38.000 -0.124 0.000 1.342 360 I HN -0.355 nan 8.210 nan 0.000 0.457 361 V N 4.120 123.626 119.914 -0.680 0.000 2.588 361 V HA 0.481 4.601 4.120 0.001 0.000 0.304 361 V C 0.065 175.814 176.094 -0.575 0.000 1.042 361 V CA -0.589 61.271 62.300 -0.734 0.000 0.877 361 V CB 2.116 33.228 31.823 -1.185 0.000 0.996 361 V HN 0.852 nan 8.190 nan 0.000 0.425 362 T N -0.292 114.097 114.554 -0.274 0.000 2.859 362 T HA 0.527 4.878 4.350 0.001 0.000 0.281 362 T C 0.525 175.219 174.700 -0.009 0.000 1.005 362 T CA -0.417 61.623 62.100 -0.100 0.000 1.025 362 T CB 2.456 71.282 68.868 -0.069 0.000 0.977 362 T HN 0.532 nan 8.240 nan 0.000 0.458 363 E N 1.826 122.080 120.200 0.090 0.000 1.998 363 E HA 0.074 4.424 4.350 0.001 0.000 0.195 363 E C 1.545 178.180 176.600 0.059 0.000 0.994 363 E CA 1.419 57.906 56.400 0.144 0.000 0.835 363 E CB 0.130 29.908 29.700 0.131 0.000 0.786 363 E HN 0.758 nan 8.360 nan 0.000 0.467 364 R N -1.816 118.701 120.500 0.028 0.000 3.040 364 R HA 0.262 4.602 4.340 0.001 0.000 0.097 364 R C -0.848 175.449 176.300 -0.005 0.000 0.899 364 R CA 0.482 56.584 56.100 0.004 0.000 0.710 364 R CB -0.089 30.213 30.300 0.003 0.000 0.643 364 R HN 0.170 nan 8.270 nan 0.000 0.353 365 N N 0.168 118.865 118.700 -0.005 0.000 2.806 365 N HA 0.494 5.234 4.740 0.001 0.000 0.315 365 N C -1.224 174.280 175.510 -0.010 0.000 1.738 365 N CA 0.066 53.109 53.050 -0.010 0.000 0.993 365 N CB 1.655 40.136 38.487 -0.011 0.000 1.324 365 N HN 0.662 nan 8.380 nan 0.000 0.493 366 G N -1.573 107.223 108.800 -0.007 0.000 2.661 366 G HA2 0.440 4.400 3.960 0.001 0.000 0.262 366 G HA3 0.440 4.400 3.960 0.001 0.000 0.262 366 G C -0.245 174.654 174.900 -0.002 0.000 1.310 366 G CA -0.403 44.696 45.100 -0.001 0.000 1.160 366 G HN 0.616 nan 8.290 nan 0.000 0.598 367 G N 0.196 109.002 108.800 0.011 0.000 3.450 367 G HA2 1.080 5.040 3.960 0.001 0.000 0.147 367 G HA3 1.080 5.040 3.960 0.001 0.000 0.147 367 G C 0.167 175.087 174.900 0.034 0.000 1.269 367 G CA 1.762 46.878 45.100 0.027 0.000 1.388 367 G HN 2.651 nan 8.290 nan 0.000 0.731 368 A N -2.277 120.580 122.820 0.061 0.000 2.395 368 A HA 0.738 5.058 4.320 0.001 0.000 0.297 368 A C -0.148 177.518 177.584 0.137 0.000 0.966 368 A CA 1.135 53.234 52.037 0.103 0.000 0.570 368 A CB -0.538 18.492 19.000 0.050 0.000 1.447 368 A HN 2.729 nan 8.150 nan 0.000 0.511 369 A N -1.065 121.843 122.820 0.147 0.000 2.189 369 A HA 0.382 4.702 4.320 0.001 0.000 0.563 369 A C -0.351 177.330 177.584 0.161 0.000 0.534 369 A CA 1.072 53.140 52.037 0.052 0.000 0.372 369 A CB -1.787 17.226 19.000 0.022 0.000 3.240 369 A HN 2.648 nan 8.150 nan 0.000 0.455 370 W N 0.757 122.009 121.300 -0.081 0.000 3.005 370 W HA 0.757 5.417 4.660 0.001 0.000 0.343 370 W C -0.653 175.775 176.519 -0.152 0.000 1.243 370 W CA -1.163 56.114 57.345 -0.114 0.000 1.186 370 W CB 0.641 30.049 29.460 -0.086 0.000 1.453 370 W HN 0.771 nan 8.180 nan 0.000 0.575 371 R N 1.896 122.425 120.500 0.048 0.000 2.346 371 R HA 0.304 4.645 4.340 0.001 0.000 0.311 371 R C 0.256 176.603 176.300 0.078 0.000 0.983 371 R CA -0.755 55.202 56.100 -0.239 0.000 0.880 371 R CB 2.156 32.026 30.300 -0.716 0.000 1.100 371 R HN 0.339 nan 8.270 nan 0.000 0.453 372 Q N 0.576 120.357 119.800 -0.030 0.000 2.312 372 Q HA 0.048 4.389 4.340 0.001 0.000 0.236 372 Q C 1.302 177.407 176.000 0.174 0.000 0.965 372 Q CA 0.062 55.965 55.803 0.167 0.000 0.894 372 Q CB 1.437 30.253 28.738 0.131 0.000 1.225 372 Q HN 0.767 nan 8.270 nan 0.000 0.478 373 T N -1.416 113.295 114.554 0.261 0.000 2.685 373 T HA -0.237 4.114 4.350 0.001 0.000 0.268 373 T C 1.721 176.532 174.700 0.185 0.000 1.034 373 T CA 2.137 64.404 62.100 0.277 0.000 1.149 373 T CB -0.561 68.495 68.868 0.313 0.000 0.860 373 T HN 0.686 nan 8.240 nan 0.000 0.449 374 I N -1.546 119.054 120.570 0.051 0.000 3.001 374 I HA 0.194 4.364 4.170 0.001 0.000 0.268 374 I C 2.064 178.134 176.117 -0.078 0.000 1.267 374 I CA 0.455 61.703 61.300 -0.086 0.000 1.472 374 I CB -1.040 36.760 38.000 -0.333 0.000 1.089 374 I HN 0.105 nan 8.210 nan 0.000 0.468 375 F N 1.367 121.175 119.950 -0.237 0.000 2.126 375 F HA -0.222 4.305 4.527 0.001 0.000 0.299 375 F C 2.055 177.685 175.800 -0.283 0.000 1.096 375 F CA 1.730 59.529 58.000 -0.336 0.000 1.255 375 F CB -0.408 38.287 39.000 -0.508 0.000 0.997 375 F HN 0.039 nan 8.300 nan 0.000 0.479 376 Y N 0.637 121.065 120.300 0.214 0.000 2.184 376 Y HA -0.034 4.516 4.550 0.001 0.000 0.290 376 Y C -0.327 175.378 175.900 -0.326 0.000 1.129 376 Y CA 0.953 59.042 58.100 -0.019 0.000 1.144 376 Y CB -2.498 35.981 38.460 0.031 0.000 0.995 376 Y HN 0.085 nan 8.280 nan 0.000 0.513 377 P HA -0.213 nan 4.420 nan 0.000 0.218 377 P C 1.613 178.726 177.300 -0.312 0.000 1.149 377 P CA 1.476 64.095 63.100 -0.801 0.000 0.817 377 P CB -0.243 30.786 31.700 -1.118 0.000 0.785 378 F N 0.266 120.058 119.950 -0.263 0.000 2.098 378 F HA -0.075 4.452 4.527 0.000 0.000 0.294 378 F C 2.570 178.271 175.800 -0.165 0.000 1.107 378 F CA 1.265 59.170 58.000 -0.157 0.000 1.234 378 F CB -0.808 38.066 39.000 -0.210 0.000 1.002 378 F HN -0.287 nan 8.300 nan 0.000 0.472 379 M N -0.121 119.512 119.600 0.055 0.000 2.089 379 M HA -0.312 4.169 4.480 0.001 0.000 0.257 379 M C 2.337 178.675 176.300 0.063 0.000 1.071 379 M CA 2.013 57.304 55.300 -0.015 0.000 1.096 379 M CB -0.845 31.759 32.600 0.006 0.000 1.330 379 M HN 0.263 nan 8.290 nan 0.000 0.403 380 H N -0.103 119.129 119.070 0.271 0.000 2.290 380 H HA -0.046 4.510 4.556 0.000 0.000 0.298 380 H C 2.151 177.734 175.328 0.425 0.000 1.087 380 H CA 1.929 58.293 56.048 0.526 0.000 1.291 380 H CB -0.972 29.358 29.762 0.948 0.000 1.369 380 H HN 0.536 nan 8.280 nan 0.000 0.492 381 A N -0.002 122.994 122.820 0.293 0.000 1.908 381 A HA -0.197 4.123 4.320 0.001 0.000 0.218 381 A C 2.761 179.904 177.584 -0.734 0.000 1.181 381 A CA 2.127 54.031 52.037 -0.222 0.000 0.627 381 A CB -0.830 18.009 19.000 -0.268 0.000 0.818 381 A HN 0.416 nan 8.150 nan 0.000 0.445 382 S N -1.062 114.093 115.700 -0.910 0.000 2.387 382 S HA -0.126 4.344 4.470 0.001 0.000 0.226 382 S C 2.069 176.290 174.600 -0.633 0.000 1.026 382 S CA 1.722 59.199 58.200 -1.205 0.000 0.972 382 S CB -0.243 62.554 63.200 -0.671 0.000 0.814 382 S HN 0.616 nan 8.310 nan 0.000 0.477 383 K N -0.639 119.519 120.400 -0.403 0.000 1.995 383 K HA -0.019 4.302 4.320 0.001 0.000 0.207 383 K C 1.248 177.636 176.600 -0.354 0.000 1.041 383 K CA 1.389 57.414 56.287 -0.438 0.000 0.942 383 K CB -0.247 31.843 32.500 -0.684 0.000 0.731 383 K HN 0.485 nan 8.250 nan 0.000 0.439 384 Y N -0.639 119.722 120.300 0.102 0.000 2.466 384 Y HA 0.256 4.806 4.550 0.001 0.000 0.272 384 Y C 1.228 177.261 175.900 0.223 0.000 1.169 384 Y CA 0.021 58.190 58.100 0.116 0.000 1.285 384 Y CB 0.551 39.034 38.460 0.038 0.000 1.078 384 Y HN 0.101 nan 8.280 nan 0.000 0.523 385 G N 1.326 110.307 108.800 0.300 0.000 4.420 385 G HA2 0.257 4.217 3.960 0.001 0.000 0.299 385 G HA3 0.257 4.217 3.960 0.001 0.000 0.299 385 G C 0.016 175.030 174.900 0.190 0.000 1.343 385 G CA -0.520 44.757 45.100 0.294 0.000 1.272 385 G HN -0.073 nan 8.290 nan 0.000 0.610 386 R N 0.441 121.017 120.500 0.126 0.000 2.437 386 R HA 0.759 5.099 4.340 0.001 0.000 0.310 386 R C 0.356 176.687 176.300 0.052 0.000 0.955 386 R CA 0.165 56.324 56.100 0.098 0.000 0.851 386 R CB 1.811 32.138 30.300 0.044 0.000 1.161 386 R HN 0.474 nan 8.270 nan 0.000 0.446 387 G N 2.650 111.475 108.800 0.043 0.000 2.286 387 G HA2 -0.026 3.934 3.960 0.001 0.000 0.118 387 G HA3 -0.026 3.934 3.960 0.001 0.000 0.118 387 G C -1.334 173.581 174.900 0.026 0.000 1.267 387 G CA -0.804 44.295 45.100 -0.003 0.000 1.171 387 G HN 0.333 nan 8.290 nan 0.000 0.465 388 I N 1.814 122.412 120.570 0.047 0.000 2.378 388 I HA 0.532 4.702 4.170 0.001 0.000 0.291 388 I C 0.395 176.565 176.117 0.089 0.000 0.992 388 I CA -0.860 60.488 61.300 0.079 0.000 1.154 388 I CB 1.083 39.164 38.000 0.135 0.000 1.315 388 I HN 0.262 nan 8.210 nan 0.000 0.448 389 V N 6.358 126.299 119.914 0.046 0.000 2.455 389 V HA 0.198 4.319 4.120 0.001 0.000 0.273 389 V C 0.369 176.454 176.094 -0.015 0.000 1.045 389 V CA -0.499 61.813 62.300 0.019 0.000 0.976 389 V CB 1.103 32.915 31.823 -0.019 0.000 0.993 389 V HN 0.348 nan 8.190 nan 0.000 0.475 390 L N 4.253 125.459 121.223 -0.028 0.000 2.334 390 L HA 0.401 4.741 4.340 0.001 0.000 0.277 390 L C 0.429 177.179 176.870 -0.200 0.000 1.075 390 L CA -0.322 54.458 54.840 -0.100 0.000 0.804 390 L CB 0.794 42.812 42.059 -0.068 0.000 1.174 390 L HN 0.612 nan 8.230 nan 0.000 0.438 391 Q N 4.349 123.908 119.800 -0.401 0.000 2.263 391 Q HA 0.093 4.433 4.340 0.001 0.000 0.289 391 Q C -2.136 173.644 176.000 -0.365 0.000 1.061 391 Q CA -1.024 54.454 55.803 -0.542 0.000 0.927 391 Q CB 0.711 28.682 28.738 -1.277 0.000 1.154 391 Q HN 0.276 nan 8.270 nan 0.000 0.378 392 P HA 0.109 nan 4.420 nan 0.000 0.283 392 P C -0.776 176.478 177.300 -0.077 0.000 1.412 392 P CA -0.331 62.696 63.100 -0.122 0.000 0.912 392 P CB 0.358 32.004 31.700 -0.090 0.000 1.132 393 V N 3.874 123.770 119.914 -0.031 0.000 2.258 393 V HA 0.416 4.537 4.120 0.001 0.000 0.258 393 V C 0.409 176.515 176.094 0.020 0.000 1.121 393 V CA -0.588 61.732 62.300 0.033 0.000 0.942 393 V CB 0.154 32.050 31.823 0.121 0.000 1.170 393 V HN 0.430 nan 8.190 nan 0.000 0.487 394 I N 3.520 124.094 120.570 0.008 0.000 2.433 394 I HA 0.557 4.728 4.170 0.001 0.000 0.292 394 I C -0.338 175.786 176.117 0.011 0.000 1.001 394 I CA -0.592 60.710 61.300 0.004 0.000 1.119 394 I CB 1.935 39.929 38.000 -0.009 0.000 1.289 394 I HN 0.542 nan 8.210 nan 0.000 0.438 395 N N 5.018 123.726 118.700 0.013 0.000 2.817 395 N HA 0.228 4.968 4.740 0.001 0.000 0.234 395 N C -1.035 174.486 175.510 0.017 0.000 1.066 395 N CA -0.054 53.005 53.050 0.016 0.000 0.926 395 N CB 0.757 39.254 38.487 0.017 0.000 1.176 395 N HN 0.529 nan 8.380 nan 0.000 0.506 396 S N 2.572 118.284 115.700 0.020 0.000 2.565 396 S HA 0.642 5.112 4.470 0.001 0.000 0.290 396 S C -2.452 172.170 174.600 0.036 0.000 1.150 396 S CA -1.390 56.826 58.200 0.027 0.000 1.058 396 S CB 0.571 63.787 63.200 0.028 0.000 1.032 396 S HN 0.278 nan 8.310 nan 0.000 0.510 397 P HA 0.260 nan 4.420 nan 0.000 0.268 397 P C -1.304 176.046 177.300 0.082 0.000 1.208 397 P CA -0.181 62.954 63.100 0.060 0.000 0.777 397 P CB 0.285 32.023 31.700 0.064 0.000 0.875 398 L N 2.563 123.834 121.223 0.079 0.000 2.346 398 L HA 0.545 4.885 4.340 0.001 0.000 0.274 398 L C 0.201 177.145 176.870 0.124 0.000 1.007 398 L CA -0.355 54.525 54.840 0.067 0.000 0.818 398 L CB 1.443 43.513 42.059 0.018 0.000 1.284 398 L HN 0.569 nan 8.230 nan 0.000 0.424 399 H N -1.788 117.303 119.070 0.034 0.000 2.679 399 H HA 0.672 5.229 4.556 0.000 0.000 0.360 399 H C -1.701 173.657 175.328 0.049 0.000 1.105 399 H CA -1.042 55.032 56.048 0.045 0.000 1.196 399 H CB 1.350 31.145 29.762 0.055 0.000 1.636 399 H HN 0.359 nan 8.280 nan 0.000 0.531 400 D N 2.301 122.733 120.400 0.053 0.000 2.225 400 D HA 0.245 4.885 4.640 0.001 0.000 0.248 400 D C 0.390 176.757 176.300 0.111 0.000 1.096 400 D CA -0.221 53.792 54.000 0.021 0.000 0.863 400 D CB 1.726 42.549 40.800 0.039 0.000 1.156 400 D HN 0.786 nan 8.370 nan 0.000 0.450 401 T N -1.967 112.644 114.554 0.095 0.000 2.910 401 T HA 0.340 4.690 4.350 0.001 0.000 0.279 401 T C 1.529 176.291 174.700 0.105 0.000 0.989 401 T CA -0.275 61.917 62.100 0.153 0.000 0.968 401 T CB 1.049 70.035 68.868 0.197 0.000 1.135 401 T HN 0.200 nan 8.240 nan 0.000 0.562 402 S N 0.739 116.498 115.700 0.098 0.000 2.353 402 S HA -0.125 4.345 4.470 0.001 0.000 0.222 402 S C 1.566 176.170 174.600 0.005 0.000 1.035 402 S CA 0.869 59.100 58.200 0.051 0.000 1.025 402 S CB -0.668 62.561 63.200 0.048 0.000 0.902 402 S HN 0.763 nan 8.310 nan 0.000 0.440 403 K N 0.504 120.888 120.400 -0.027 0.000 2.358 403 K HA 0.259 4.580 4.320 0.001 0.000 0.197 403 K C -0.666 175.683 176.600 -0.418 0.000 1.025 403 K CA 0.020 56.189 56.287 -0.197 0.000 1.104 403 K CB 0.340 32.694 32.500 -0.243 0.000 0.855 403 K HN 0.546 nan 8.250 nan 0.000 0.531 404 H N -0.648 118.419 119.070 -0.005 0.000 2.679 404 H HA 0.180 4.736 4.556 0.000 0.000 0.360 404 H C -0.965 174.341 175.328 -0.036 0.000 1.105 404 H CA -0.559 55.475 56.048 -0.024 0.000 1.196 404 H CB 1.747 31.483 29.762 -0.043 0.000 1.636 404 H HN -0.217 nan 8.280 nan 0.000 0.531 405 E N 1.302 121.546 120.200 0.074 0.000 2.242 405 E HA 0.150 4.500 4.350 0.001 0.000 0.275 405 E C -0.679 175.920 176.600 -0.002 0.000 1.002 405 E CA -0.897 55.518 56.400 0.026 0.000 0.841 405 E CB 0.831 30.542 29.700 0.018 0.000 1.109 405 E HN 0.822 nan 8.360 nan 0.000 0.394 406 D N -0.127 120.251 120.400 -0.037 0.000 3.205 406 D HA -0.148 4.493 4.640 0.001 0.000 0.227 406 D C -0.783 175.456 176.300 -0.100 0.000 1.171 406 D CA 0.482 54.449 54.000 -0.055 0.000 0.929 406 D CB -1.273 39.517 40.800 -0.016 0.000 0.900 406 D HN 0.185 nan 8.370 nan 0.000 0.404 407 V N 1.574 121.349 119.914 -0.233 0.000 2.398 407 V HA 0.364 4.484 4.120 0.001 0.000 0.286 407 V C 1.170 177.140 176.094 -0.207 0.000 1.026 407 V CA -0.645 61.482 62.300 -0.289 0.000 0.868 407 V CB 1.838 33.349 31.823 -0.521 0.000 0.982 407 V HN 0.515 nan 8.190 nan 0.000 0.443 408 T N 0.506 115.020 114.554 -0.066 0.000 2.908 408 T HA 0.019 4.369 4.350 0.001 0.000 0.301 408 T C 0.673 175.438 174.700 0.108 0.000 1.019 408 T CA -0.229 61.882 62.100 0.019 0.000 1.152 408 T CB 0.586 69.461 68.868 0.012 0.000 0.966 408 T HN 0.625 nan 8.240 nan 0.000 0.540 409 D N 2.088 122.595 120.400 0.178 0.000 2.088 409 D HA -0.005 4.635 4.640 0.001 0.000 0.196 409 D C 0.994 177.350 176.300 0.093 0.000 0.983 409 D CA 1.022 55.135 54.000 0.189 0.000 0.846 409 D CB -0.208 40.665 40.800 0.122 0.000 0.992 409 D HN 0.790 nan 8.370 nan 0.000 0.448 410 I N 0.444 121.048 120.570 0.057 0.000 2.395 410 I HA 0.172 4.342 4.170 0.001 0.000 0.289 410 I C -0.593 175.537 176.117 0.020 0.000 1.023 410 I CA -0.475 60.844 61.300 0.031 0.000 1.350 410 I CB 1.071 39.080 38.000 0.015 0.000 1.409 410 I HN -0.176 nan 8.210 nan 0.000 0.507 411 E N 5.434 125.644 120.200 0.016 0.000 2.176 411 E HA 0.518 4.868 4.350 0.001 0.000 0.267 411 E C -1.522 175.077 176.600 -0.002 0.000 0.893 411 E CA -0.369 56.034 56.400 0.006 0.000 0.761 411 E CB 1.632 31.338 29.700 0.009 0.000 1.133 411 E HN 0.561 nan 8.360 nan 0.000 0.409 412 S N 2.828 118.520 115.700 -0.014 0.000 2.541 412 S HA 0.745 5.215 4.470 0.001 0.000 0.271 412 S C -1.655 172.934 174.600 -0.018 0.000 1.133 412 S CA -0.532 57.654 58.200 -0.023 0.000 0.876 412 S CB 0.986 64.157 63.200 -0.048 0.000 1.105 412 S HN 0.483 nan 8.310 nan 0.000 0.470 413 V N 1.083 121.005 119.914 0.014 0.000 2.760 413 V HA 0.997 5.117 4.120 0.001 0.000 0.309 413 V C -0.213 175.921 176.094 0.067 0.000 1.077 413 V CA -0.951 61.365 62.300 0.027 0.000 0.910 413 V CB 1.097 32.943 31.823 0.038 0.000 1.008 413 V HN 1.141 nan 8.190 nan 0.000 0.424 414 A N 4.764 127.596 122.820 0.020 0.000 2.318 414 A HA 0.960 5.281 4.320 0.001 0.000 0.324 414 A C -0.647 176.978 177.584 0.069 0.000 1.170 414 A CA -0.557 51.491 52.037 0.018 0.000 0.810 414 A CB 1.072 20.049 19.000 -0.039 0.000 1.198 414 A HN 1.902 nan 8.150 nan 0.000 0.484 415 I N 0.238 120.881 120.570 0.123 0.000 2.465 415 I HA 0.710 4.880 4.170 0.001 0.000 0.291 415 I C -1.136 175.075 176.117 0.158 0.000 1.014 415 I CA -0.809 60.579 61.300 0.147 0.000 1.093 415 I CB 1.619 39.730 38.000 0.185 0.000 1.267 415 I HN 0.581 nan 8.210 nan 0.000 0.431 416 Y N 6.003 126.316 120.300 0.023 0.000 2.335 416 Y HA 0.595 5.145 4.550 0.001 0.000 0.338 416 Y C -0.959 174.954 175.900 0.023 0.000 0.977 416 Y CA -0.833 57.273 58.100 0.010 0.000 1.114 416 Y CB 1.236 39.697 38.460 0.001 0.000 1.182 416 Y HN 0.800 nan 8.280 nan 0.000 0.463 417 N N 5.227 123.639 118.700 -0.479 0.000 2.546 417 N HA 0.091 4.832 4.740 0.001 0.000 0.238 417 N C 0.629 175.682 175.510 -0.761 0.000 0.984 417 N CA -0.220 52.531 53.050 -0.498 0.000 0.935 417 N CB 0.605 38.980 38.487 -0.187 0.000 1.122 417 N HN 0.915 nan 8.380 nan 0.000 0.510 418 E N 1.461 121.096 120.200 -0.941 0.000 2.204 418 E HA -0.259 4.092 4.350 0.001 0.000 0.195 418 E C 0.643 177.123 176.600 -0.199 0.000 0.990 418 E CA 1.063 57.124 56.400 -0.565 0.000 0.821 418 E CB 0.137 29.698 29.700 -0.232 0.000 0.750 418 E HN 0.567 nan 8.360 nan 0.000 0.477 419 E N 1.600 121.697 120.200 -0.171 0.000 2.001 419 E HA -0.113 4.237 4.350 0.001 0.000 0.193 419 E C 1.719 178.284 176.600 -0.059 0.000 0.994 419 E CA 1.577 57.928 56.400 -0.081 0.000 0.815 419 E CB 0.104 29.764 29.700 -0.066 0.000 0.770 419 E HN 0.170 nan 8.360 nan 0.000 0.453 420 K N 0.116 120.475 120.400 -0.068 0.000 2.486 420 K HA 0.000 4.321 4.320 0.001 0.000 0.194 420 K C -0.231 176.359 176.600 -0.017 0.000 1.033 420 K CA 0.550 56.818 56.287 -0.032 0.000 1.004 420 K CB 0.177 32.665 32.500 -0.020 0.000 0.798 420 K HN 0.157 nan 8.250 nan 0.000 0.495 421 E N 0.962 121.142 120.200 -0.034 0.000 2.389 421 E HA -0.206 4.145 4.350 0.001 0.000 0.243 421 E C -1.228 175.423 176.600 0.085 0.000 1.154 421 E CA 0.580 57.013 56.400 0.055 0.000 0.723 421 E CB -0.962 28.787 29.700 0.082 0.000 1.261 421 E HN 0.384 nan 8.360 nan 0.000 0.390 422 E N -0.830 119.393 120.200 0.038 0.000 2.244 422 E HA 0.581 4.932 4.350 0.001 0.000 0.266 422 E C -0.772 175.886 176.600 0.096 0.000 0.914 422 E CA -1.005 55.420 56.400 0.042 0.000 0.794 422 E CB 2.433 32.130 29.700 -0.005 0.000 1.210 422 E HN -0.048 nan 8.360 nan 0.000 0.414 423 V N 1.980 121.920 119.914 0.045 0.000 2.407 423 V HA 0.291 4.412 4.120 0.001 0.000 0.291 423 V C -0.478 175.543 176.094 -0.121 0.000 1.018 423 V CA -0.730 61.587 62.300 0.028 0.000 0.842 423 V CB 1.698 33.532 31.823 0.019 0.000 0.996 423 V HN 0.700 nan 8.190 nan 0.000 0.426 424 T N 6.386 120.857 114.554 -0.138 0.000 2.767 424 T HA 0.641 4.991 4.350 0.001 0.000 0.284 424 T C -0.143 174.321 174.700 -0.393 0.000 0.973 424 T CA -0.105 61.787 62.100 -0.347 0.000 0.996 424 T CB 0.944 69.576 68.868 -0.394 0.000 0.927 424 T HN 0.410 nan 8.240 nan 0.000 0.456 425 I N 3.928 124.191 120.570 -0.513 0.000 2.359 425 I HA 0.354 4.524 4.170 0.001 0.000 0.284 425 I C -0.692 175.088 176.117 -0.561 0.000 1.018 425 I CA -0.711 60.345 61.300 -0.407 0.000 1.173 425 I CB 0.598 38.408 38.000 -0.318 0.000 1.326 425 I HN 0.519 nan 8.210 nan 0.000 0.462 426 F N 5.144 124.926 119.950 -0.281 0.000 2.396 426 F HA 0.707 5.234 4.527 0.000 0.000 0.343 426 F C 0.635 176.219 175.800 -0.360 0.000 1.104 426 F CA -0.340 57.402 58.000 -0.430 0.000 1.161 426 F CB 1.321 40.124 39.000 -0.328 0.000 1.146 426 F HN 0.458 nan 8.300 nan 0.000 0.522 427 A N 2.097 124.744 122.820 -0.288 0.000 2.589 427 A HA 0.786 5.106 4.320 0.001 0.000 0.296 427 A C -1.887 175.631 177.584 -0.110 0.000 1.062 427 A CA -0.689 51.252 52.037 -0.159 0.000 0.686 427 A CB 1.440 20.346 19.000 -0.157 0.000 1.282 427 A HN 0.490 nan 8.150 nan 0.000 0.404 428 V N 2.676 122.591 119.914 0.003 0.000 2.623 428 V HA 0.359 4.479 4.120 0.001 0.000 0.304 428 V C -0.211 175.918 176.094 0.057 0.000 1.054 428 V CA -0.824 61.524 62.300 0.081 0.000 0.882 428 V CB 1.949 33.868 31.823 0.160 0.000 1.002 428 V HN 0.930 nan 8.190 nan 0.000 0.424 429 N N 2.989 121.728 118.700 0.064 0.000 2.524 429 N HA 0.393 5.133 4.740 0.001 0.000 0.283 429 N C -0.299 175.231 175.510 0.033 0.000 1.142 429 N CA -0.857 52.218 53.050 0.042 0.000 0.984 429 N CB 1.013 39.526 38.487 0.044 0.000 1.155 429 N HN 0.600 nan 8.380 nan 0.000 0.467 430 R N 1.170 121.667 120.500 -0.005 0.000 3.000 430 R HA -0.248 4.093 4.340 0.001 0.000 0.203 430 R C 0.241 176.522 176.300 -0.032 0.000 0.857 430 R CA 0.515 56.584 56.100 -0.052 0.000 0.937 430 R CB -0.436 29.862 30.300 -0.004 0.000 0.974 430 R HN 0.545 nan 8.270 nan 0.000 0.369 431 N N 2.142 120.796 118.700 -0.075 0.000 2.458 431 N HA -0.003 4.737 4.740 0.001 0.000 0.270 431 N C 0.671 176.082 175.510 -0.166 0.000 1.102 431 N CA -0.275 52.656 53.050 -0.199 0.000 0.967 431 N CB 0.603 39.006 38.487 -0.140 0.000 1.078 431 N HN 0.575 nan 8.380 nan 0.000 0.471 432 I N 3.830 124.237 120.570 -0.272 0.000 2.953 432 I HA -0.210 3.960 4.170 0.001 0.000 0.271 432 I C 0.835 176.701 176.117 -0.419 0.000 1.286 432 I CA 1.620 62.721 61.300 -0.330 0.000 1.449 432 I CB -0.209 37.545 38.000 -0.410 0.000 1.086 432 I HN 0.647 nan 8.210 nan 0.000 0.483 433 H N -1.174 117.880 119.070 -0.026 0.000 3.205 433 H HA 0.260 4.817 4.556 0.001 0.000 0.252 433 H C 0.129 175.457 175.328 0.001 0.000 1.015 433 H CA -0.003 56.042 56.048 -0.004 0.000 1.192 433 H CB 0.385 30.142 29.762 -0.008 0.000 1.474 433 H HN 0.350 nan 8.280 nan 0.000 0.484 434 E N 1.363 121.614 120.200 0.085 0.000 2.248 434 E HA 0.218 4.568 4.350 0.001 0.000 0.267 434 E C -1.267 175.353 176.600 0.033 0.000 0.877 434 E CA -0.977 55.457 56.400 0.057 0.000 0.759 434 E CB 2.179 31.910 29.700 0.052 0.000 1.182 434 E HN 0.023 nan 8.360 nan 0.000 0.418 435 D N 3.620 124.039 120.400 0.032 0.000 2.350 435 D HA 0.319 4.960 4.640 0.001 0.000 0.249 435 D C 0.258 176.573 176.300 0.024 0.000 1.119 435 D CA -0.001 54.015 54.000 0.027 0.000 0.886 435 D CB 1.148 41.962 40.800 0.023 0.000 1.195 435 D HN 0.457 nan 8.370 nan 0.000 0.437 436 I N -1.554 119.030 120.570 0.024 0.000 2.582 436 I HA 0.426 4.596 4.170 0.001 0.000 0.292 436 I C -0.253 175.877 176.117 0.020 0.000 1.066 436 I CA -1.373 59.940 61.300 0.022 0.000 1.053 436 I CB 2.029 40.042 38.000 0.023 0.000 1.241 436 I HN 0.021 nan 8.210 nan 0.000 0.421 437 V N 6.170 126.095 119.914 0.018 0.000 2.649 437 V HA 0.404 4.524 4.120 0.001 0.000 0.292 437 V C -0.528 175.572 176.094 0.010 0.000 1.055 437 V CA -0.316 61.994 62.300 0.016 0.000 1.023 437 V CB 1.556 33.389 31.823 0.016 0.000 0.992 437 V HN 0.665 nan 8.190 nan 0.000 0.480 438 L N 7.417 128.641 121.223 0.002 0.000 2.316 438 L HA 0.555 4.896 4.340 0.001 0.000 0.280 438 L C -0.536 176.326 176.870 -0.012 0.000 1.006 438 L CA 0.013 54.847 54.840 -0.011 0.000 0.836 438 L CB 1.596 43.635 42.059 -0.033 0.000 1.221 438 L HN 0.480 nan 8.230 nan 0.000 0.418 439 V N 4.181 124.093 119.914 -0.003 0.000 2.372 439 V HA 0.348 4.468 4.120 0.001 0.000 0.261 439 V C 0.300 176.393 176.094 -0.001 0.000 1.055 439 V CA -0.205 62.098 62.300 0.005 0.000 0.930 439 V CB 0.445 32.276 31.823 0.012 0.000 1.031 439 V HN 0.869 nan 8.190 nan 0.000 0.479 440 S N 2.942 118.641 115.700 -0.003 0.000 2.423 440 S HA 0.381 4.851 4.470 0.001 0.000 0.317 440 S C 0.498 175.114 174.600 0.027 0.000 1.065 440 S CA -0.225 57.965 58.200 -0.017 0.000 1.111 440 S CB 0.774 63.929 63.200 -0.075 0.000 0.968 440 S HN 0.893 nan 8.310 nan 0.000 0.474 441 D N 1.959 122.373 120.400 0.024 0.000 2.416 441 D HA 0.477 5.117 4.640 0.001 0.000 0.240 441 D C 0.239 176.567 176.300 0.046 0.000 1.250 441 D CA -0.403 53.622 54.000 0.042 0.000 0.967 441 D CB -0.126 nan 40.800 nan 0.000 1.059 441 D HN 0.789 nan 8.370 nan 0.000 0.512 442 V N 1.990 121.964 119.914 0.100 0.000 2.381 442 V HA 0.447 4.568 4.120 0.001 0.000 0.257 442 V C 1.518 177.658 176.094 0.078 0.000 1.057 442 V CA 0.081 62.443 62.300 0.104 0.000 1.013 442 V CB 0.366 nan 31.823 nan 0.000 1.069 442 V HN 0.668 nan 8.190 nan 0.000 0.484 443 R N 4.037 124.555 120.500 0.029 0.000 2.046 443 R HA 0.265 4.605 4.340 0.001 0.000 0.223 443 R C 1.348 177.648 176.300 -0.000 0.000 1.179 443 R CA 1.358 57.466 56.100 0.012 0.000 0.952 443 R CB 0.102 30.406 30.300 0.006 0.000 0.843 443 R HN 0.773 nan 8.270 nan 0.000 0.439 444 G N 0.341 109.128 108.800 -0.021 0.000 3.428 444 G HA2 0.454 4.415 3.960 0.001 0.000 0.344 444 G HA3 0.454 4.415 3.960 0.001 0.000 0.344 444 G C -1.098 173.771 174.900 -0.050 0.000 1.256 444 G CA -0.375 44.704 45.100 -0.034 0.000 1.209 444 G HN 0.126 nan 8.290 nan 0.000 0.470 445 M N 2.347 121.940 119.600 -0.012 0.000 2.067 445 M HA 0.331 4.811 4.480 0.001 0.000 0.214 445 M C -0.327 175.991 176.300 0.030 0.000 0.891 445 M CA -1.055 54.247 55.300 0.004 0.000 0.697 445 M CB 0.574 33.195 32.600 0.035 0.000 1.616 445 M HN 0.253 nan 8.290 nan 0.000 0.354 446 K N 1.040 121.447 120.400 0.012 0.000 2.438 446 K HA 0.059 4.380 4.320 0.001 0.000 0.270 446 K C -0.375 176.238 176.600 0.021 0.000 1.095 446 K CA 0.779 57.072 56.287 0.010 0.000 1.174 446 K CB -0.792 31.713 32.500 0.008 0.000 0.830 446 K HN 0.676 nan 8.250 nan 0.000 0.487 447 D N -0.231 120.171 120.400 0.003 0.000 2.716 447 D HA -0.263 4.377 4.640 0.001 0.000 0.239 447 D C 0.923 177.243 176.300 0.033 0.000 1.125 447 D CA 1.526 55.526 54.000 -0.000 0.000 0.681 447 D CB -2.096 38.707 40.800 0.004 0.000 1.070 447 D HN 0.844 nan 8.370 nan 0.000 0.432 448 Y N -1.075 119.259 120.300 0.057 0.000 2.790 448 Y HA -0.415 4.135 4.550 0.001 0.000 0.466 448 Y C 1.400 177.500 175.900 0.334 0.000 1.130 448 Y CA 2.362 60.567 58.100 0.175 0.000 2.703 448 Y CB -1.514 36.821 38.460 -0.207 0.000 1.159 448 Y HN 1.308 nan 8.280 nan 0.000 0.625 449 R N -1.098 119.586 120.500 0.308 0.000 1.234 449 R HA 0.381 4.721 4.340 0.001 0.000 0.419 449 R C -1.064 175.387 176.300 0.252 0.000 1.334 449 R CA 1.488 57.736 56.100 0.246 0.000 1.106 449 R CB -1.643 28.727 30.300 0.116 0.000 3.296 449 R HN 2.626 nan 8.270 nan 0.000 0.499 450 L N 5.582 126.928 121.223 0.205 0.000 2.280 450 L HA 0.661 5.002 4.340 0.001 0.000 0.287 450 L C 1.406 178.263 176.870 -0.023 0.000 1.023 450 L CA -0.364 54.479 54.840 0.005 0.000 0.819 450 L CB 0.968 43.048 42.059 0.035 0.000 1.212 450 L HN 0.797 nan 8.230 nan 0.000 0.420 451 L N 1.275 122.450 121.223 -0.081 0.000 2.004 451 L HA 0.226 4.566 4.340 0.001 0.000 0.205 451 L C 1.263 178.087 176.870 -0.077 0.000 1.089 451 L CA 1.666 56.464 54.840 -0.071 0.000 0.756 451 L CB 0.334 42.337 42.059 -0.093 0.000 0.900 451 L HN 0.979 nan 8.230 nan 0.000 0.440 452 E N -2.249 117.876 120.200 -0.125 0.000 2.423 452 E HA 0.191 4.541 4.350 0.001 0.000 0.280 452 E C -1.219 175.308 176.600 -0.123 0.000 1.030 452 E CA -0.827 55.512 56.400 -0.102 0.000 0.812 452 E CB 1.372 31.011 29.700 -0.101 0.000 1.313 452 E HN -0.007 nan 8.360 nan 0.000 0.456 453 H N 2.202 121.162 119.070 -0.183 0.000 2.786 453 H HA 0.414 4.970 4.556 0.001 0.000 0.284 453 H C -1.180 174.038 175.328 -0.183 0.000 1.104 453 H CA -0.912 55.013 56.048 -0.204 0.000 1.339 453 H CB 0.033 29.701 29.762 -0.155 0.000 1.427 453 H HN 0.529 nan 8.280 nan 0.000 0.497 454 I N 4.957 125.542 120.570 0.024 0.000 2.416 454 I HA 0.121 4.291 4.170 0.001 0.000 0.288 454 I C 0.223 176.387 176.117 0.079 0.000 1.051 454 I CA -0.376 60.911 61.300 -0.023 0.000 1.375 454 I CB 1.249 39.130 38.000 -0.199 0.000 1.407 454 I HN 0.186 nan 8.210 nan 0.000 0.516 455 V N 7.770 127.727 119.914 0.073 0.000 2.815 455 V HA 0.519 4.640 4.120 0.001 0.000 0.314 455 V C -0.881 175.332 176.094 0.198 0.000 1.064 455 V CA -0.696 61.663 62.300 0.098 0.000 0.952 455 V CB 2.417 34.200 31.823 -0.066 0.000 1.020 455 V HN 0.498 nan 8.190 nan 0.000 0.439 456 L N 5.195 126.611 121.223 0.321 0.000 2.492 456 L HA 0.589 4.929 4.340 0.001 0.000 0.258 456 L C -0.546 176.556 176.870 0.387 0.000 1.028 456 L CA 0.267 55.337 54.840 0.382 0.000 0.900 456 L CB 1.181 43.634 42.059 0.656 0.000 1.191 456 L HN 0.764 nan 8.230 nan 0.000 0.459 457 E N 1.794 122.051 120.200 0.094 0.000 2.336 457 E HA 0.692 5.042 4.350 0.001 0.000 0.267 457 E C -1.467 174.872 176.600 -0.434 0.000 0.906 457 E CA -1.097 55.288 56.400 -0.024 0.000 0.781 457 E CB 2.640 32.338 29.700 -0.002 0.000 1.261 457 E HN 0.460 nan 8.360 nan 0.000 0.436 458 H N -0.248 118.367 119.070 -0.758 0.000 3.094 458 H HA 0.096 4.653 4.556 0.001 0.000 0.346 458 H C -0.584 174.582 175.328 -0.271 0.000 1.238 458 H CA -0.364 55.305 56.048 -0.632 0.000 1.209 458 H CB 1.869 31.068 29.762 -0.939 0.000 1.911 458 H HN 0.528 nan 8.280 nan 0.000 0.540 459 Q N 0.941 120.588 119.800 -0.256 0.000 2.389 459 Q HA 0.013 4.354 4.340 0.001 0.000 0.204 459 Q C -0.470 175.613 176.000 0.138 0.000 0.944 459 Q CA 0.591 56.369 55.803 -0.041 0.000 0.908 459 Q CB 0.562 29.225 28.738 -0.125 0.000 1.002 459 Q HN 0.451 nan 8.270 nan 0.000 0.493 460 D N -0.282 120.324 120.400 0.342 0.000 2.381 460 D HA 0.071 4.711 4.640 0.001 0.000 0.235 460 D C 0.726 177.219 176.300 0.321 0.000 1.068 460 D CA -0.337 53.838 54.000 0.291 0.000 0.832 460 D CB 1.170 42.121 40.800 0.253 0.000 1.101 460 D HN -0.008 nan 8.370 nan 0.000 0.515 461 L N 3.392 124.804 121.223 0.315 0.000 2.141 461 L HA -0.042 4.298 4.340 0.001 0.000 0.209 461 L C 1.890 178.945 176.870 0.309 0.000 1.094 461 L CA 1.223 56.294 54.840 0.387 0.000 0.763 461 L CB -0.685 41.536 42.059 0.270 0.000 0.908 461 L HN 0.477 nan 8.230 nan 0.000 0.437 462 K N -0.465 120.063 120.400 0.213 0.000 2.444 462 K HA 0.079 4.400 4.320 0.001 0.000 0.193 462 K C 0.561 177.227 176.600 0.110 0.000 1.024 462 K CA -0.297 56.089 56.287 0.165 0.000 1.077 462 K CB 0.187 32.763 32.500 0.127 0.000 0.833 462 K HN 0.113 nan 8.250 nan 0.000 0.517 463 I N 1.653 122.268 120.570 0.075 0.000 2.754 463 I HA -0.057 4.114 4.170 0.001 0.000 0.285 463 I C 0.244 176.354 176.117 -0.012 0.000 1.166 463 I CA 0.237 61.511 61.300 -0.042 0.000 1.417 463 I CB 0.394 38.219 38.000 -0.291 0.000 1.382 463 I HN 0.011 nan 8.210 nan 0.000 0.588 464 R N 4.067 124.550 120.500 -0.029 0.000 2.930 464 R HA 0.521 4.861 4.340 0.001 0.000 0.257 464 R C -0.872 175.431 176.300 0.004 0.000 1.107 464 R CA -1.077 55.034 56.100 0.019 0.000 0.999 464 R CB 0.886 31.180 30.300 -0.011 0.000 1.209 464 R HN 0.500 nan 8.270 nan 0.000 0.486 465 N N -0.311 118.433 118.700 0.073 0.000 2.476 465 N HA 0.478 5.218 4.740 0.001 0.000 0.276 465 N C -0.816 174.471 175.510 -0.372 0.000 1.204 465 N CA -0.462 52.587 53.050 -0.002 0.000 0.974 465 N CB 1.680 40.318 38.487 0.251 0.000 1.204 465 N HN 0.670 nan 8.380 nan 0.000 0.543 466 S N -2.292 112.957 115.700 -0.751 0.000 2.752 466 S HA 0.263 4.733 4.470 0.001 0.000 0.284 466 S C 0.447 174.123 174.600 -1.540 0.000 1.189 466 S CA -0.718 56.654 58.200 -1.380 0.000 0.835 466 S CB 0.690 63.488 63.200 -0.670 0.000 1.192 466 S HN 0.146 nan 8.310 nan 0.000 0.506 467 V N 1.658 120.706 119.914 -1.443 0.000 2.720 467 V HA -0.100 4.020 4.120 0.001 0.000 0.256 467 V C 1.244 177.109 176.094 -0.382 0.000 1.082 467 V CA 2.019 63.809 62.300 -0.849 0.000 1.101 467 V CB -1.202 30.379 31.823 -0.403 0.000 0.693 467 V HN 0.766 nan 8.190 nan 0.000 0.479 468 N N 0.714 119.199 118.700 -0.358 0.000 2.412 468 N HA 0.204 4.944 4.740 0.001 0.000 0.184 468 N C 0.827 176.238 175.510 -0.165 0.000 1.101 468 N CA 0.951 53.877 53.050 -0.206 0.000 0.881 468 N CB 0.627 39.008 38.487 -0.175 0.000 0.969 468 N HN 0.611 nan 8.380 nan 0.000 0.459 469 G N 0.918 109.601 108.800 -0.196 0.000 2.697 469 G HA2 -0.040 3.921 3.960 0.001 0.000 0.684 469 G HA3 -0.040 3.921 3.960 0.001 0.000 0.684 469 G C -0.774 174.051 174.900 -0.125 0.000 1.274 469 G CA -0.800 44.233 45.100 -0.113 0.000 0.806 469 G HN 0.055 nan 8.290 nan 0.000 0.644 470 E N -0.377 119.808 120.200 -0.025 0.000 2.264 470 E HA -0.129 4.221 4.350 0.001 0.000 0.279 470 E C 0.540 177.248 176.600 0.179 0.000 1.103 470 E CA 0.927 57.383 56.400 0.093 0.000 0.812 470 E CB -1.184 28.540 29.700 0.040 0.000 1.261 470 E HN 0.843 nan 8.360 nan 0.000 0.419 471 E N -0.512 119.802 120.200 0.189 0.000 2.431 471 E HA 0.081 4.431 4.350 0.001 0.000 0.200 471 E C 0.194 176.947 176.600 0.254 0.000 0.995 471 E CA 0.358 56.903 56.400 0.242 0.000 0.915 471 E CB 0.783 30.540 29.700 0.095 0.000 0.930 471 E HN 0.038 nan 8.360 nan 0.000 0.496 472 V N 2.575 122.629 119.914 0.233 0.000 2.328 472 V HA 0.326 4.446 4.120 0.001 0.000 0.278 472 V C -0.983 175.316 176.094 0.343 0.000 1.021 472 V CA -0.642 61.766 62.300 0.180 0.000 0.838 472 V CB 0.092 32.039 31.823 0.207 0.000 0.999 472 V HN 0.178 nan 8.190 nan 0.000 0.447 473 Y N 4.249 124.572 120.300 0.039 0.000 2.592 473 Y HA 0.786 5.337 4.550 0.000 0.000 0.334 473 Y C -3.126 172.631 175.900 -0.239 0.000 1.136 473 Y CA -3.164 54.773 58.100 -0.271 0.000 1.042 473 Y CB 1.545 39.905 38.460 -0.166 0.000 1.325 473 Y HN 0.384 nan 8.280 nan 0.000 0.457 474 P HA 0.254 nan 4.420 nan 0.000 0.276 474 P C -1.435 175.895 177.300 0.049 0.000 1.235 474 P CA -0.151 62.951 63.100 0.003 0.000 0.772 474 P CB 1.318 33.128 31.700 0.184 0.000 0.871 475 K N 2.704 123.104 120.400 -0.000 0.000 2.270 475 K HA 0.323 4.643 4.320 0.001 0.000 0.255 475 K C -0.216 176.386 176.600 0.004 0.000 0.936 475 K CA -0.643 55.647 56.287 0.006 0.000 0.809 475 K CB 1.513 33.965 32.500 -0.080 0.000 1.131 475 K HN 0.318 nan 8.250 nan 0.000 0.427 476 N N 1.208 119.917 118.700 0.016 0.000 2.406 476 N HA 0.100 4.840 4.740 0.001 0.000 0.265 476 N C -0.996 174.488 175.510 -0.043 0.000 1.203 476 N CA 0.176 53.221 53.050 -0.008 0.000 0.945 476 N CB 0.618 39.109 38.487 0.007 0.000 1.165 476 N HN 0.375 nan 8.380 nan 0.000 0.485 477 S N 1.545 117.189 115.700 -0.092 0.000 2.732 477 S HA 0.555 5.025 4.470 0.001 0.000 0.293 477 S C -1.319 173.150 174.600 -0.219 0.000 1.159 477 S CA -0.839 57.274 58.200 -0.145 0.000 0.847 477 S CB 1.692 64.791 63.200 -0.169 0.000 1.169 477 S HN 0.584 nan 8.310 nan 0.000 0.501 478 D N 0.531 120.806 120.400 -0.209 0.000 10.599 478 D HA -0.040 4.601 4.640 0.001 0.000 0.340 478 D C -1.009 175.233 176.300 -0.096 0.000 3.145 478 D CA 0.048 53.914 54.000 -0.223 0.000 2.668 478 D CB -0.234 40.260 40.800 -0.510 0.000 1.254 478 D HN 0.653 nan 8.370 nan 0.000 0.949 479 K N -2.783 117.584 120.400 -0.054 0.000 3.434 479 K HA -0.141 4.179 4.320 0.001 0.000 0.303 479 K C -0.399 176.212 176.600 0.017 0.000 1.351 479 K CA 1.075 57.335 56.287 -0.045 0.000 0.900 479 K CB -2.013 30.434 32.500 -0.089 0.000 1.385 479 K HN 0.465 nan 8.250 nan 0.000 0.477 480 S N -0.049 115.687 115.700 0.059 0.000 2.557 480 S HA 0.653 5.123 4.470 0.001 0.000 0.291 480 S C -1.182 173.456 174.600 0.063 0.000 1.116 480 S CA -0.142 58.125 58.200 0.111 0.000 0.992 480 S CB 2.099 65.431 63.200 0.221 0.000 1.028 480 S HN 0.269 nan 8.310 nan 0.000 0.484 481 S N 2.748 118.489 115.700 0.068 0.000 2.570 481 S HA 0.864 5.335 4.470 0.001 0.000 0.286 481 S C -2.039 172.681 174.600 0.200 0.000 1.099 481 S CA -0.400 57.859 58.200 0.098 0.000 0.913 481 S CB 1.137 64.378 63.200 0.068 0.000 1.085 481 S HN 0.561 nan 8.310 nan 0.000 0.480 482 F N 2.908 122.845 119.950 -0.022 0.000 2.730 482 F HA 0.599 5.126 4.527 0.001 0.000 0.335 482 F C -1.236 174.551 175.800 -0.022 0.000 1.212 482 F CA -0.880 57.104 58.000 -0.027 0.000 1.016 482 F CB 1.606 40.585 39.000 -0.034 0.000 1.290 482 F HN 0.670 nan 8.300 nan 0.000 0.495 483 D N 3.640 123.886 120.400 -0.257 0.000 2.927 483 D HA 0.443 5.084 4.640 0.001 0.000 0.219 483 D C 0.045 176.165 176.300 -0.299 0.000 1.248 483 D CA 1.197 55.023 54.000 -0.290 0.000 0.861 483 D CB 1.863 42.592 40.800 -0.119 0.000 1.677 483 D HN 0.842 nan 8.370 nan 0.000 0.511 484 D N 1.155 121.374 120.400 -0.301 0.000 3.076 484 D HA 0.027 4.667 4.640 0.001 0.000 0.218 484 D C 1.322 177.486 176.300 -0.226 0.000 1.156 484 D CA 1.840 55.715 54.000 -0.209 0.000 0.921 484 D CB -2.158 nan 40.800 nan 0.000 1.113 484 D HN 1.785 nan 8.370 nan 0.000 0.418 485 G N -1.829 106.712 108.800 -0.432 0.000 2.205 485 G HA2 -0.014 3.946 3.960 0.001 0.000 0.261 485 G HA3 -0.014 3.946 3.960 0.001 0.000 0.261 485 G C 0.314 175.240 174.900 0.044 0.000 0.980 485 G CA 0.567 45.508 45.100 -0.265 0.000 0.632 485 G HN 1.653 nan 8.290 nan 0.000 0.533 486 I N 0.796 121.358 120.570 -0.014 0.000 2.331 486 I HA 0.626 4.797 4.170 0.001 0.000 0.292 486 I C 0.264 176.557 176.117 0.295 0.000 0.998 486 I CA -0.793 60.587 61.300 0.134 0.000 1.267 486 I CB 1.731 39.756 38.000 0.042 0.000 1.386 486 I HN 0.158 nan 8.210 nan 0.000 0.476 487 L N 6.389 127.793 121.223 0.302 0.000 2.296 487 L HA 0.795 5.135 4.340 0.001 0.000 0.286 487 L C 0.174 177.092 176.870 0.080 0.000 1.023 487 L CA 0.059 55.037 54.840 0.231 0.000 0.812 487 L CB 1.409 43.449 42.059 -0.032 0.000 1.223 487 L HN 0.841 nan 8.230 nan 0.000 0.421 488 T N 1.647 116.245 114.554 0.073 0.000 2.770 488 T HA 0.627 4.977 4.350 0.001 0.000 0.283 488 T C -0.287 174.429 174.700 0.027 0.000 0.988 488 T CA -0.480 61.643 62.100 0.038 0.000 0.957 488 T CB 0.739 nan 68.868 nan 0.000 0.930 488 T HN 0.474 nan 8.240 nan 0.000 0.443 489 S N 2.196 117.905 115.700 0.015 0.000 2.745 489 S HA 0.603 5.073 4.470 0.001 0.000 0.283 489 S C 0.488 175.117 174.600 0.048 0.000 1.170 489 S CA -0.465 57.758 58.200 0.038 0.000 1.119 489 S CB 0.593 63.778 63.200 -0.025 0.000 1.035 489 S HN 1.069 nan 8.310 nan 0.000 0.483 490 M N 4.675 124.306 119.600 0.051 0.000 2.364 490 M HA 0.475 4.955 4.480 0.001 0.000 0.342 490 M C -0.586 175.744 176.300 0.050 0.000 1.601 490 M CA 0.554 55.874 55.300 0.033 0.000 1.156 490 M CB -1.127 nan 32.600 nan 0.000 1.912 490 M HN 0.676 nan 8.290 nan 0.000 0.460 491 L N 4.220 125.472 121.223 0.047 0.000 2.294 491 L HA 0.507 4.847 4.340 0.001 0.000 0.283 491 L C 0.811 177.708 176.870 0.044 0.000 1.015 491 L CA -0.774 54.102 54.840 0.058 0.000 0.831 491 L CB 1.202 43.291 42.059 0.050 0.000 1.217 491 L HN 0.937 nan 8.230 nan 0.000 0.420 492 R N 2.688 123.214 120.500 0.044 0.000 2.698 492 R HA 0.014 4.355 4.340 0.001 0.000 0.266 492 R C 1.572 177.910 176.300 0.064 0.000 1.026 492 R CA -0.027 56.100 56.100 0.044 0.000 1.102 492 R CB 0.711 31.034 30.300 0.039 0.000 0.978 492 R HN 0.728 nan 8.270 nan 0.000 0.436 493 R N 1.992 122.524 120.500 0.054 0.000 2.154 493 R HA -0.154 4.186 4.340 0.001 0.000 0.248 493 R C 0.097 176.427 176.300 0.050 0.000 1.155 493 R CA 1.930 58.054 56.100 0.041 0.000 0.979 493 R CB -0.113 30.207 30.300 0.033 0.000 0.869 493 R HN 0.399 nan 8.270 nan 0.000 0.452 494 A N 1.546 124.436 122.820 0.117 0.000 3.082 494 A HA 0.396 4.716 4.320 0.001 0.000 0.328 494 A C -0.677 177.077 177.584 0.283 0.000 1.089 494 A CA -0.476 51.655 52.037 0.157 0.000 0.802 494 A CB 0.935 20.044 19.000 0.181 0.000 1.138 494 A HN 0.385 nan 8.150 nan 0.000 0.474 495 S N 1.221 117.057 115.700 0.227 0.000 2.547 495 S HA 0.695 5.165 4.470 0.001 0.000 0.281 495 S C -0.694 174.092 174.600 0.310 0.000 1.118 495 S CA -0.636 57.751 58.200 0.311 0.000 0.947 495 S CB 1.476 64.806 63.200 0.218 0.000 1.053 495 S HN 1.015 nan 8.310 nan 0.000 0.482 496 W N 3.518 124.940 121.300 0.203 0.000 2.376 496 W HA 0.568 5.228 4.660 0.000 0.000 0.322 496 W C -1.641 174.995 176.519 0.196 0.000 1.160 496 W CA -0.478 56.981 57.345 0.190 0.000 1.218 496 W CB 0.745 30.344 29.460 0.232 0.000 1.205 496 W HN 0.883 nan 8.180 nan 0.000 0.559 497 N N 3.006 121.402 118.700 -0.507 0.000 2.235 497 N HA 0.449 5.189 4.740 0.001 0.000 0.293 497 N C -1.701 173.344 175.510 -0.776 0.000 1.083 497 N CA -0.739 52.065 53.050 -0.411 0.000 0.801 497 N CB 2.645 41.037 38.487 -0.158 0.000 1.559 497 N HN 0.078 nan 8.380 nan 0.000 0.472 498 V N 2.564 122.118 119.914 -0.600 0.000 2.380 498 V HA 0.459 4.579 4.120 0.001 0.000 0.286 498 V C -0.672 175.018 176.094 -0.673 0.000 1.015 498 V CA -0.520 61.343 62.300 -0.729 0.000 0.834 498 V CB 0.597 32.023 31.823 -0.662 0.000 1.009 498 V HN 0.575 nan 8.190 nan 0.000 0.428 499 I N 5.201 125.335 120.570 -0.726 0.000 2.354 499 I HA 0.607 4.778 4.170 0.001 0.000 0.292 499 I C 0.165 175.958 176.117 -0.540 0.000 0.989 499 I CA -0.493 60.413 61.300 -0.656 0.000 1.188 499 I CB 1.497 39.089 38.000 -0.681 0.000 1.342 499 I HN 0.435 nan 8.210 nan 0.000 0.457 500 R N 5.895 126.128 120.500 -0.445 0.000 2.670 500 R HA 0.796 5.137 4.340 0.001 0.000 0.289 500 R C -1.354 174.765 176.300 -0.301 0.000 0.965 500 R CA -0.861 55.018 56.100 -0.368 0.000 0.899 500 R CB 2.503 32.585 30.300 -0.364 0.000 1.173 500 R HN 0.460 nan 8.270 nan 0.000 0.456 501 I N 0.769 121.189 120.570 -0.250 0.000 2.533 501 I HA 0.521 4.691 4.170 0.001 0.000 0.290 501 I C 0.171 176.237 176.117 -0.084 0.000 1.056 501 I CA -0.219 60.948 61.300 -0.222 0.000 1.057 501 I CB 2.433 40.236 38.000 -0.328 0.000 1.240 501 I HN 0.745 nan 8.210 nan 0.000 0.423 502 G N 0.000 108.787 108.800 -0.022 0.000 5.446 502 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 502 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 502 G CA 0.000 45.114 45.100 0.023 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925