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 3iem_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 R N 3.220 123.712 120.500 -0.013 0.000 2.621 2 R HA 0.781 5.120 4.340 -0.001 0.000 0.284 2 R C -1.980 174.302 176.300 -0.030 0.000 0.998 2 R CA -0.717 55.370 56.100 -0.021 0.000 0.895 2 R CB 2.221 32.509 30.300 -0.020 0.000 1.195 2 R HN 0.685 nan 8.270 nan 0.000 0.450 3 I N 3.752 124.297 120.570 -0.042 0.000 2.436 3 I HA 0.358 4.527 4.170 -0.001 0.000 0.289 3 I C -1.398 174.668 176.117 -0.085 0.000 1.010 3 I CA -0.619 60.646 61.300 -0.058 0.000 1.098 3 I CB 2.034 39.995 38.000 -0.066 0.000 1.266 3 I HN 0.288 nan 8.210 nan 0.000 0.434 4 V N 9.420 129.272 119.914 -0.103 0.000 2.378 4 V HA 0.470 4.589 4.120 -0.001 0.000 0.288 4 V C -2.347 173.527 176.094 -0.366 0.000 1.016 4 V CA -1.722 60.425 62.300 -0.254 0.000 0.840 4 V CB 1.259 32.904 31.823 -0.296 0.000 0.994 4 V HN 0.642 nan 8.190 nan 0.000 0.431 5 P HA 0.243 nan 4.420 nan 0.000 0.271 5 P C -0.493 176.376 177.300 -0.718 0.000 1.233 5 P CA 0.226 63.174 63.100 -0.254 0.000 0.764 5 P CB 0.099 31.760 31.700 -0.065 0.000 0.825 6 F N 2.930 122.654 119.950 -0.377 0.000 2.835 6 F HA 0.535 5.061 4.527 -0.001 0.000 0.342 6 F C 1.088 176.939 175.800 0.084 0.000 1.202 6 F CA 0.066 57.814 58.000 -0.421 0.000 1.240 6 F CB 0.686 39.650 39.000 -0.059 0.000 1.005 6 F HN 0.397 nan 8.300 nan 0.000 0.507 7 G N -1.313 107.609 108.800 0.204 0.000 2.325 7 G HA2 0.478 4.437 3.960 -0.001 0.000 0.297 7 G HA3 0.478 4.437 3.960 -0.001 0.000 0.297 7 G C -0.123 174.828 174.900 0.085 0.000 1.448 7 G CA -0.151 45.085 45.100 0.227 0.000 0.838 7 G HN 0.643 nan 8.290 nan 0.000 0.579 8 A N -1.830 121.051 122.820 0.102 0.000 2.748 8 A HA 0.244 4.564 4.320 -0.001 0.000 0.297 8 A C 1.064 178.752 177.584 0.173 0.000 1.508 8 A CA 1.850 53.944 52.037 0.096 0.000 0.799 8 A CB -1.448 17.608 19.000 0.093 0.000 1.011 8 A HN 2.580 nan 8.150 nan 0.000 0.500 9 A N 0.338 123.284 122.820 0.210 0.000 2.444 9 A HA 0.643 4.962 4.320 -0.001 0.000 0.332 9 A C 1.005 178.665 177.584 0.126 0.000 1.430 9 A CA 0.157 52.302 52.037 0.179 0.000 0.975 9 A CB -0.021 19.111 19.000 0.221 0.000 1.147 9 A HN 1.312 nan 8.150 nan 0.000 0.524 10 R N 0.837 121.390 120.500 0.089 0.000 3.322 10 R HA -0.160 4.179 4.340 -0.001 0.000 0.266 10 R C -0.493 175.827 176.300 0.033 0.000 1.072 10 R CA 1.332 57.463 56.100 0.051 0.000 0.715 10 R CB -2.343 27.982 30.300 0.042 0.000 1.199 10 R HN 1.069 nan 8.270 nan 0.000 0.421 11 E N -2.712 117.503 120.200 0.025 0.000 2.393 11 E HA 0.194 4.543 4.350 -0.001 0.000 0.278 11 E C 0.226 176.779 176.600 -0.077 0.000 1.171 11 E CA -0.425 55.972 56.400 -0.005 0.000 0.904 11 E CB 0.537 30.264 29.700 0.046 0.000 1.309 11 E HN -0.008 nan 8.360 nan 0.000 0.423 12 V N -1.782 118.034 119.914 -0.163 0.000 2.436 12 V HA 0.075 4.194 4.120 -0.001 0.000 0.240 12 V C 1.238 177.074 176.094 -0.430 0.000 1.040 12 V CA 1.740 63.770 62.300 -0.449 0.000 1.052 12 V CB -0.675 30.897 31.823 -0.418 0.000 0.707 12 V HN 0.853 nan 8.190 nan 0.000 0.469 13 T N -2.018 112.440 114.554 -0.160 0.000 2.766 13 T HA 0.516 4.865 4.350 -0.001 0.000 0.295 13 T C 1.294 175.820 174.700 -0.291 0.000 1.024 13 T CA 0.690 62.717 62.100 -0.123 0.000 1.018 13 T CB 0.695 69.570 68.868 0.011 0.000 1.002 13 T HN 1.981 nan 8.240 nan 0.000 0.532 14 G N 0.147 108.588 108.800 -0.598 0.000 2.175 14 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.244 14 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.244 14 G C 0.370 174.905 174.900 -0.609 0.000 0.982 14 G CA 0.120 44.483 45.100 -1.230 0.000 0.641 14 G HN 1.158 nan 8.290 nan 0.000 0.527 15 S N 0.766 116.232 115.700 -0.390 0.000 3.116 15 S HA 0.372 4.842 4.470 -0.001 0.000 0.367 15 S C 0.560 174.983 174.600 -0.296 0.000 1.202 15 S CA 1.344 59.355 58.200 -0.315 0.000 1.018 15 S CB 0.210 63.129 63.200 -0.468 0.000 0.726 15 S HN 2.049 nan 8.310 nan 0.000 0.506 16 A N 4.709 127.265 122.820 -0.441 0.000 2.458 16 A HA 0.471 4.791 4.320 -0.001 0.000 0.304 16 A C -1.306 176.031 177.584 -0.413 0.000 1.026 16 A CA -0.838 51.055 52.037 -0.240 0.000 1.021 16 A CB 0.397 19.391 19.000 -0.010 0.000 1.479 16 A HN 0.835 nan 8.150 nan 0.000 0.385 17 H N 1.119 120.124 119.070 -0.110 0.000 2.505 17 H HA 0.609 5.164 4.556 -0.001 0.000 0.338 17 H C -0.504 174.727 175.328 -0.163 0.000 1.057 17 H CA -0.709 55.254 56.048 -0.143 0.000 1.202 17 H CB 1.816 31.387 29.762 -0.317 0.000 1.466 17 H HN 0.560 nan 8.280 nan 0.000 0.499 18 L N 3.754 124.969 121.223 -0.013 0.000 2.278 18 L HA 0.255 4.595 4.340 -0.001 0.000 0.287 18 L C -1.024 175.796 176.870 -0.083 0.000 1.072 18 L CA -0.670 54.080 54.840 -0.149 0.000 0.819 18 L CB 0.186 42.104 42.059 -0.236 0.000 1.176 18 L HN 0.557 nan 8.230 nan 0.000 0.435 19 L N 6.657 127.826 121.223 -0.089 0.000 2.276 19 L HA 0.493 4.832 4.340 -0.001 0.000 0.286 19 L C -1.164 175.673 176.870 -0.054 0.000 1.061 19 L CA 0.097 54.904 54.840 -0.055 0.000 0.807 19 L CB 0.746 42.784 42.059 -0.034 0.000 1.177 19 L HN 0.538 nan 8.230 nan 0.000 0.429 20 L N 6.697 127.898 121.223 -0.038 0.000 2.318 20 L HA 0.912 5.252 4.340 -0.001 0.000 0.277 20 L C -0.240 176.619 176.870 -0.018 0.000 1.008 20 L CA -0.289 54.533 54.840 -0.030 0.000 0.846 20 L CB 1.034 43.080 42.059 -0.022 0.000 1.220 20 L HN 0.889 nan 8.230 nan 0.000 0.423 21 A N 1.557 124.368 122.820 -0.016 0.000 2.567 21 A HA 0.631 4.950 4.320 -0.001 0.000 0.291 21 A C 0.413 177.992 177.584 -0.009 0.000 1.048 21 A CA 0.014 52.046 52.037 -0.009 0.000 0.661 21 A CB 0.888 19.885 19.000 -0.005 0.000 1.288 21 A HN 0.919 nan 8.150 nan 0.000 0.424 22 G N -0.517 108.279 108.800 -0.007 0.000 2.212 22 G HA2 0.219 4.179 3.960 -0.001 0.000 0.267 22 G HA3 0.219 4.179 3.960 -0.001 0.000 0.267 22 G C 1.841 176.736 174.900 -0.008 0.000 1.002 22 G CA 1.643 46.738 45.100 -0.008 0.000 0.729 22 G HN 3.011 nan 8.290 nan 0.000 0.517 23 G N -2.047 106.749 108.800 -0.007 0.000 2.147 23 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.244 23 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.244 23 G C 0.282 175.179 174.900 -0.005 0.000 1.005 23 G CA 1.051 46.148 45.100 -0.005 0.000 0.713 23 G HN 1.022 nan 8.290 nan 0.000 0.515 24 R N -0.962 119.533 120.500 -0.009 0.000 2.836 24 R HA 0.660 4.999 4.340 -0.001 0.000 0.269 24 R C -0.141 176.145 176.300 -0.023 0.000 1.010 24 R CA -0.958 55.136 56.100 -0.010 0.000 0.930 24 R CB 1.094 31.390 30.300 -0.006 0.000 1.218 24 R HN 0.301 nan 8.270 nan 0.000 0.473 25 R N 0.605 121.086 120.500 -0.030 0.000 2.388 25 R HA 0.500 4.839 4.340 -0.001 0.000 0.314 25 R C -0.859 175.390 176.300 -0.084 0.000 0.959 25 R CA -0.643 55.415 56.100 -0.069 0.000 0.851 25 R CB 1.819 32.070 30.300 -0.083 0.000 1.168 25 R HN 0.171 nan 8.270 nan 0.000 0.472 26 V N 4.726 124.584 119.914 -0.094 0.000 2.444 26 V HA 0.265 4.385 4.120 -0.001 0.000 0.294 26 V C -0.575 175.438 176.094 -0.135 0.000 1.022 26 V CA -0.921 61.328 62.300 -0.086 0.000 0.850 26 V CB 1.790 33.589 31.823 -0.040 0.000 0.992 26 V HN 0.509 nan 8.190 nan 0.000 0.426 27 L N 6.612 127.724 121.223 -0.185 0.000 2.260 27 L HA 0.499 4.838 4.340 -0.001 0.000 0.289 27 L C -0.621 176.208 176.870 -0.068 0.000 1.057 27 L CA 0.000 54.706 54.840 -0.225 0.000 0.811 27 L CB 0.785 42.619 42.059 -0.375 0.000 1.184 27 L HN 0.428 nan 8.230 nan 0.000 0.429 28 L N 5.822 127.043 121.223 -0.004 0.000 2.278 28 L HA 0.419 4.758 4.340 -0.001 0.000 0.287 28 L C -0.207 176.780 176.870 0.196 0.000 1.072 28 L CA 0.085 55.017 54.840 0.154 0.000 0.819 28 L CB -0.177 41.972 42.059 0.149 0.000 1.176 28 L HN 0.676 nan 8.230 nan 0.000 0.435 29 D N 1.266 121.803 120.400 0.228 0.000 10.912 29 D HA -0.263 4.376 4.640 -0.001 0.000 0.354 29 D C -0.306 176.028 176.300 0.056 0.000 3.124 29 D CA 0.483 54.590 54.000 0.178 0.000 2.650 29 D CB -0.194 40.758 40.800 0.254 0.000 1.178 29 D HN 0.742 nan 8.370 nan 0.000 0.937 30 C N 2.698 122.027 119.300 0.049 0.000 3.421 30 C HA 0.565 5.024 4.460 -0.001 0.000 0.194 30 C C 0.643 175.684 174.990 0.084 0.000 1.418 30 C CA 0.452 59.506 59.018 0.059 0.000 1.226 30 C CB -0.632 27.133 27.740 0.041 0.000 1.875 30 C HN 0.628 nan 8.230 nan 0.000 0.561 31 G N 2.588 111.383 108.800 -0.008 0.000 2.476 31 G HA2 0.569 4.528 3.960 -0.001 0.000 0.286 31 G HA3 0.569 4.528 3.960 -0.001 0.000 0.286 31 G C -0.146 174.694 174.900 -0.100 0.000 1.177 31 G CA -0.546 44.538 45.100 -0.027 0.000 0.870 31 G HN 0.820 nan 8.290 nan 0.000 0.528 32 M N -0.164 119.428 119.600 -0.015 0.000 2.291 32 M HA 0.677 5.156 4.480 -0.001 0.000 0.324 32 M C -1.123 175.072 176.300 -0.175 0.000 1.148 32 M CA -0.429 54.837 55.300 -0.058 0.000 1.104 32 M CB 1.039 33.753 32.600 0.190 0.000 1.483 32 M HN 0.213 nan 8.290 nan 0.000 0.467 33 F N 1.076 120.999 119.950 -0.046 0.000 2.375 33 F HA 0.446 4.973 4.527 -0.001 0.000 0.333 33 F C 0.552 176.350 175.800 -0.004 0.000 1.104 33 F CA 0.036 58.013 58.000 -0.039 0.000 1.149 33 F CB 1.218 40.167 39.000 -0.086 0.000 1.190 33 F HN 0.642 nan 8.300 nan 0.000 0.533 34 Q N 0.433 120.355 119.800 0.205 0.000 3.022 34 Q HA 0.647 4.986 4.340 -0.001 0.000 0.313 34 Q C 0.366 176.431 176.000 0.108 0.000 1.018 34 Q CA -0.702 55.187 55.803 0.142 0.000 0.799 34 Q CB 1.859 30.673 28.738 0.125 0.000 1.498 34 Q HN 0.841 nan 8.270 nan 0.000 0.494 35 G N 1.505 110.356 108.800 0.085 0.000 2.574 35 G HA2 -0.430 3.530 3.960 -0.001 0.000 0.286 35 G HA3 -0.430 3.530 3.960 -0.001 0.000 0.286 35 G C 0.572 175.492 174.900 0.033 0.000 1.212 35 G CA 0.798 45.932 45.100 0.057 0.000 0.979 35 G HN 0.796 nan 8.290 nan 0.000 0.557 36 K N 0.412 120.819 120.400 0.012 0.000 2.211 36 K HA 0.046 4.365 4.320 -0.001 0.000 0.203 36 K C 1.651 178.229 176.600 -0.038 0.000 1.050 36 K CA 2.030 58.307 56.287 -0.016 0.000 0.945 36 K CB -0.041 32.443 32.500 -0.027 0.000 0.732 36 K HN 0.418 nan 8.250 nan 0.000 0.451 37 E N 1.429 121.610 120.200 -0.031 0.000 2.481 37 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 37 E C 1.593 178.167 176.600 -0.044 0.000 1.047 37 E CA 0.268 56.613 56.400 -0.093 0.000 0.867 37 E CB 0.001 29.642 29.700 -0.099 0.000 0.858 37 E HN 0.409 nan 8.360 nan 0.000 0.513 38 E N 1.597 121.819 120.200 0.036 0.000 2.169 38 E HA -0.256 4.093 4.350 -0.001 0.000 0.202 38 E C 1.728 178.365 176.600 0.061 0.000 1.016 38 E CA 1.360 57.808 56.400 0.080 0.000 0.817 38 E CB 0.000 29.757 29.700 0.095 0.000 0.736 38 E HN 0.207 nan 8.360 nan 0.000 0.462 39 A N 1.366 124.185 122.820 -0.002 0.000 1.978 39 A HA -0.184 4.136 4.320 -0.001 0.000 0.220 39 A C 2.187 179.761 177.584 -0.017 0.000 1.170 39 A CA 1.345 53.378 52.037 -0.007 0.000 0.636 39 A CB -0.498 18.442 19.000 -0.101 0.000 0.810 39 A HN 0.187 nan 8.150 nan 0.000 0.448 40 R N -0.107 120.298 120.500 -0.158 0.000 2.117 40 R HA -0.205 4.134 4.340 -0.001 0.000 0.243 40 R C 1.746 177.941 176.300 -0.175 0.000 1.143 40 R CA 1.778 57.716 56.100 -0.270 0.000 0.968 40 R CB -0.761 29.107 30.300 -0.720 0.000 0.863 40 R HN 0.766 nan 8.270 nan 0.000 0.444 41 N N -0.256 118.327 118.700 -0.195 0.000 2.247 41 N HA -0.174 4.565 4.740 -0.001 0.000 0.189 41 N C 1.216 176.307 175.510 -0.699 0.000 1.009 41 N CA 0.918 53.567 53.050 -0.669 0.000 0.872 41 N CB -0.160 37.519 38.487 -1.347 0.000 0.980 41 N HN 0.440 nan 8.380 nan 0.000 0.436 42 H N -0.633 118.249 119.070 -0.314 0.000 2.539 42 H HA 0.328 4.883 4.556 -0.001 0.000 0.267 42 H C 0.445 175.683 175.328 -0.150 0.000 0.982 42 H CA -0.048 55.911 56.048 -0.149 0.000 1.146 42 H CB 0.298 30.020 29.762 -0.067 0.000 1.382 42 H HN 0.194 nan 8.280 nan 0.000 0.577 43 A N 2.181 124.928 122.820 -0.121 0.000 2.288 43 A HA 0.462 4.781 4.320 -0.001 0.000 0.328 43 A C -2.046 175.413 177.584 -0.209 0.000 1.123 43 A CA -1.685 50.273 52.037 -0.130 0.000 0.861 43 A CB 0.724 19.642 19.000 -0.136 0.000 1.272 43 A HN -0.061 nan 8.150 nan 0.000 0.490 44 P HA 0.030 nan 4.420 nan 0.000 0.269 44 P C 0.038 177.196 177.300 -0.236 0.000 1.217 44 P CA 0.178 63.170 63.100 -0.181 0.000 0.783 44 P CB 0.284 31.938 31.700 -0.077 0.000 0.898 45 F N 0.455 120.224 119.950 -0.302 0.000 2.163 45 F HA 0.087 4.613 4.527 -0.001 0.000 0.297 45 F C 2.248 177.786 175.800 -0.436 0.000 1.094 45 F CA 2.399 60.081 58.000 -0.529 0.000 1.290 45 F CB -0.725 37.468 39.000 -1.345 0.000 1.017 45 F HN 0.616 nan 8.300 nan 0.000 0.483 46 G N -0.991 107.664 108.800 -0.241 0.000 2.229 46 G HA2 -0.169 3.791 3.960 -0.001 0.000 0.189 46 G HA3 -0.169 3.791 3.960 -0.001 0.000 0.189 46 G C 0.025 174.836 174.900 -0.149 0.000 1.000 46 G CA -0.111 44.992 45.100 0.005 0.000 0.663 46 G HN 0.390 nan 8.290 nan 0.000 0.493 47 F N -0.757 119.008 119.950 -0.308 0.000 2.662 47 F HA 0.782 5.308 4.527 -0.001 0.000 0.312 47 F C -0.912 174.789 175.800 -0.165 0.000 1.113 47 F CA -1.857 55.965 58.000 -0.298 0.000 0.951 47 F CB 1.010 39.672 39.000 -0.564 0.000 1.344 47 F HN -0.096 nan 8.300 nan 0.000 0.462 48 D N 3.415 123.875 120.400 0.099 0.000 2.393 48 D HA 0.263 4.903 4.640 -0.001 0.000 0.232 48 D C -1.463 174.894 176.300 0.095 0.000 1.192 48 D CA -2.516 51.511 54.000 0.045 0.000 0.882 48 D CB 1.216 42.045 40.800 0.049 0.000 1.038 48 D HN 0.321 nan 8.370 nan 0.000 0.499 49 P HA -0.166 nan 4.420 nan 0.000 0.221 49 P C 0.641 177.975 177.300 0.056 0.000 1.145 49 P CA 0.889 63.971 63.100 -0.028 0.000 0.795 49 P CB 0.343 31.938 31.700 -0.175 0.000 0.775 50 K N -0.219 120.216 120.400 0.058 0.000 2.365 50 K HA -0.037 4.282 4.320 -0.001 0.000 0.199 50 K C 1.393 178.032 176.600 0.065 0.000 1.045 50 K CA 0.704 57.029 56.287 0.063 0.000 0.962 50 K CB -0.025 32.496 32.500 0.034 0.000 0.759 50 K HN 0.152 nan 8.250 nan 0.000 0.469 51 E N 0.749 120.984 120.200 0.059 0.000 2.476 51 E HA 0.065 4.414 4.350 -0.001 0.000 0.196 51 E C -0.231 176.388 176.600 0.032 0.000 1.029 51 E CA 0.038 56.463 56.400 0.041 0.000 0.896 51 E CB 0.530 30.248 29.700 0.030 0.000 1.012 51 E HN -0.048 nan 8.360 nan 0.000 0.475 52 V N 2.547 122.492 119.914 0.051 0.000 2.530 52 V HA 0.016 4.135 4.120 -0.001 0.000 0.282 52 V C 1.152 177.350 176.094 0.174 0.000 1.048 52 V CA 0.038 62.334 62.300 -0.007 0.000 0.997 52 V CB 1.433 33.105 31.823 -0.252 0.000 0.987 52 V HN 0.060 nan 8.190 nan 0.000 0.477 53 D N 3.036 123.495 120.400 0.100 0.000 2.216 53 D HA 0.259 4.898 4.640 -0.001 0.000 0.208 53 D C 0.539 176.968 176.300 0.216 0.000 0.960 53 D CA 1.196 55.277 54.000 0.135 0.000 0.861 53 D CB 0.826 41.664 40.800 0.065 0.000 0.985 53 D HN 0.650 nan 8.370 nan 0.000 0.493 54 A N -0.077 122.852 122.820 0.182 0.000 2.610 54 A HA 0.565 4.884 4.320 -0.001 0.000 0.291 54 A C -1.501 176.148 177.584 0.108 0.000 1.086 54 A CA -0.559 51.632 52.037 0.255 0.000 0.677 54 A CB 1.621 20.805 19.000 0.307 0.000 1.278 54 A HN -0.102 nan 8.150 nan 0.000 0.414 55 V N 0.334 120.346 119.914 0.163 0.000 2.789 55 V HA 0.648 4.767 4.120 -0.001 0.000 0.311 55 V C -1.337 174.877 176.094 0.200 0.000 1.073 55 V CA -0.470 61.868 62.300 0.063 0.000 0.921 55 V CB 1.642 33.438 31.823 -0.044 0.000 1.009 55 V HN 0.709 nan 8.190 nan 0.000 0.426 56 L N 4.855 126.185 121.223 0.179 0.000 2.349 56 L HA 0.569 4.908 4.340 -0.001 0.000 0.278 56 L C -0.867 176.178 176.870 0.292 0.000 0.996 56 L CA -0.247 54.757 54.840 0.273 0.000 0.825 56 L CB 1.636 43.813 42.059 0.197 0.000 1.243 56 L HN 0.377 nan 8.230 nan 0.000 0.412 57 L N 2.984 124.380 121.223 0.289 0.000 2.265 57 L HA 0.373 4.713 4.340 -0.001 0.000 0.289 57 L C 1.541 178.461 176.870 0.083 0.000 1.033 57 L CA 0.112 55.051 54.840 0.165 0.000 0.814 57 L CB 1.182 43.295 42.059 0.091 0.000 1.203 57 L HN 0.805 nan 8.230 nan 0.000 0.423 58 T N -0.477 114.102 114.554 0.041 0.000 2.951 58 T HA 0.019 4.368 4.350 -0.001 0.000 0.268 58 T C 0.553 175.189 174.700 -0.108 0.000 1.073 58 T CA 1.042 63.089 62.100 -0.089 0.000 1.134 58 T CB -0.268 68.609 68.868 0.015 0.000 0.884 58 T HN 0.677 nan 8.240 nan 0.000 0.479 59 H N -2.700 116.262 119.070 -0.180 0.000 2.917 59 H HA 0.621 5.177 4.556 -0.001 0.000 0.299 59 H C 0.570 175.817 175.328 -0.134 0.000 1.418 59 H CA -0.487 55.424 56.048 -0.228 0.000 1.138 59 H CB 1.036 30.625 29.762 -0.288 0.000 1.830 59 H HN 0.003 nan 8.280 nan 0.000 0.514 60 A N -0.185 122.610 122.820 -0.041 0.000 2.169 60 A HA 0.009 4.329 4.320 -0.001 0.000 0.212 60 A C 0.498 178.143 177.584 0.101 0.000 1.153 60 A CA 0.104 52.129 52.037 -0.020 0.000 0.756 60 A CB -1.243 17.727 19.000 -0.050 0.000 0.813 60 A HN 0.659 nan 8.150 nan 0.000 0.471 61 H N -0.706 118.464 119.070 0.166 0.000 3.094 61 H HA -0.002 4.554 4.556 -0.001 0.000 0.320 61 H C 1.240 176.673 175.328 0.175 0.000 1.000 61 H CA -0.436 55.727 56.048 0.192 0.000 1.413 61 H CB 0.639 30.586 29.762 0.308 0.000 1.405 61 H HN 0.223 nan 8.280 nan 0.000 0.586 62 L N 3.244 124.651 121.223 0.306 0.000 2.197 62 L HA -0.232 4.108 4.340 -0.001 0.000 0.215 62 L C 1.896 178.905 176.870 0.231 0.000 1.095 62 L CA 1.793 56.776 54.840 0.239 0.000 0.764 62 L CB -0.475 41.716 42.059 0.220 0.000 0.897 62 L HN 0.788 nan 8.230 nan 0.000 0.436 63 D N -3.305 117.258 120.400 0.272 0.000 2.324 63 D HA -0.117 4.522 4.640 -0.001 0.000 0.235 63 D C 1.185 177.584 176.300 0.164 0.000 1.095 63 D CA 0.521 54.647 54.000 0.208 0.000 0.871 63 D CB -0.270 40.666 40.800 0.227 0.000 0.906 63 D HN 0.546 nan 8.370 nan 0.000 0.522 64 H N -0.728 118.377 119.070 0.057 0.000 3.771 64 H HA 0.099 4.654 4.556 -0.001 0.000 0.260 64 H C 1.474 176.802 175.328 -0.000 0.000 1.158 64 H CA 0.558 56.596 56.048 -0.018 0.000 1.170 64 H CB 1.702 31.310 29.762 -0.255 0.000 1.539 64 H HN 0.158 nan 8.280 nan 0.000 0.634 65 V N -3.250 116.752 119.914 0.146 0.000 3.485 65 V HA 0.413 4.532 4.120 -0.001 0.000 0.280 65 V C 2.059 178.227 176.094 0.123 0.000 1.495 65 V CA 0.812 63.177 62.300 0.109 0.000 1.018 65 V CB 0.251 32.120 31.823 0.077 0.000 0.818 65 V HN 0.197 nan 8.190 nan 0.000 0.436 66 G N 1.337 110.242 108.800 0.175 0.000 2.503 66 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.221 66 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.221 66 G C 1.620 176.742 174.900 0.370 0.000 1.131 66 G CA 1.215 46.480 45.100 0.276 0.000 0.756 66 G HN 0.530 nan 8.290 nan 0.000 0.572 67 R N -0.634 120.048 120.500 0.302 0.000 2.317 67 R HA 0.259 4.598 4.340 -0.001 0.000 0.208 67 R C 2.033 178.551 176.300 0.364 0.000 0.914 67 R CA -0.355 55.989 56.100 0.406 0.000 1.060 67 R CB -0.070 30.437 30.300 0.345 0.000 1.015 67 R HN 0.323 nan 8.270 nan 0.000 0.498 68 L N 2.475 123.814 121.223 0.194 0.000 1.994 68 L HA -0.081 4.258 4.340 -0.001 0.000 0.208 68 L C -0.976 176.033 176.870 0.233 0.000 1.071 68 L CA 2.038 56.993 54.840 0.191 0.000 0.745 68 L CB -0.737 41.410 42.059 0.146 0.000 0.892 68 L HN 0.023 nan 8.230 nan 0.000 0.431 69 P HA -0.233 nan 4.420 nan 0.000 0.219 69 P C 1.316 178.653 177.300 0.062 0.000 1.146 69 P CA 1.565 64.539 63.100 -0.210 0.000 0.808 69 P CB -0.116 31.019 31.700 -0.942 0.000 0.779 70 K N -0.343 120.179 120.400 0.203 0.000 2.155 70 K HA -0.104 4.216 4.320 -0.001 0.000 0.203 70 K C 2.110 178.957 176.600 0.412 0.000 1.052 70 K CA 0.530 57.046 56.287 0.381 0.000 0.948 70 K CB -0.523 32.280 32.500 0.505 0.000 0.728 70 K HN -0.060 nan 8.250 nan 0.000 0.448 71 L N 0.681 122.149 121.223 0.407 0.000 2.017 71 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 71 L C 1.771 178.690 176.870 0.082 0.000 1.073 71 L CA 1.729 56.648 54.840 0.132 0.000 0.745 71 L CB -0.473 41.474 42.059 -0.187 0.000 0.894 71 L HN 0.127 nan 8.230 nan 0.000 0.432 72 F N -0.534 119.473 119.950 0.095 0.000 2.259 72 F HA -0.065 4.461 4.527 -0.001 0.000 0.298 72 F C 2.689 178.517 175.800 0.047 0.000 1.088 72 F CA 1.290 59.321 58.000 0.052 0.000 1.358 72 F CB -0.589 38.380 39.000 -0.053 0.000 1.040 72 F HN 0.048 nan 8.300 nan 0.000 0.505 73 R N 1.011 121.665 120.500 0.256 0.000 2.120 73 R HA -0.140 4.200 4.340 -0.001 0.000 0.234 73 R C 1.003 177.389 176.300 0.144 0.000 1.123 73 R CA 1.517 57.725 56.100 0.179 0.000 0.975 73 R CB -0.234 30.179 30.300 0.188 0.000 0.866 73 R HN 0.325 nan 8.270 nan 0.000 0.446 74 E N -1.405 118.886 120.200 0.152 0.000 2.419 74 E HA 0.133 4.482 4.350 -0.001 0.000 0.190 74 E C 0.561 177.205 176.600 0.074 0.000 1.040 74 E CA 0.302 56.770 56.400 0.113 0.000 0.900 74 E CB 1.035 30.821 29.700 0.144 0.000 1.054 74 E HN 0.631 nan 8.360 nan 0.000 0.462 75 G N 1.376 110.216 108.800 0.066 0.000 2.491 75 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.203 75 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.203 75 G C 0.049 174.941 174.900 -0.012 0.000 1.052 75 G CA -0.302 44.818 45.100 0.032 0.000 0.675 75 G HN 0.405 nan 8.290 nan 0.000 0.504 76 Y N 2.548 122.733 120.300 -0.191 0.000 2.987 76 Y HA 0.259 4.808 4.550 -0.001 0.000 0.339 76 Y C 1.525 177.188 175.900 -0.396 0.000 1.272 76 Y CA 1.675 59.567 58.100 -0.348 0.000 1.562 76 Y CB 0.395 38.509 38.460 -0.577 0.000 1.253 76 Y HN 0.311 nan 8.280 nan 0.000 0.604 77 R N 3.698 123.615 120.500 -0.971 0.000 2.549 77 R HA 0.214 4.553 4.340 -0.001 0.000 0.399 77 R C 0.380 176.323 176.300 -0.595 0.000 0.964 77 R CA 0.340 56.076 56.100 -0.607 0.000 1.173 77 R CB 0.083 30.278 30.300 -0.175 0.000 1.535 77 R HN 0.905 nan 8.270 nan 0.000 0.551 78 G N 1.595 109.552 108.800 -1.405 0.000 2.588 78 G HA2 0.287 4.246 3.960 -0.001 0.000 0.278 78 G HA3 0.287 4.246 3.960 -0.001 0.000 0.278 78 G C -2.471 172.373 174.900 -0.093 0.000 1.307 78 G CA -0.804 43.931 45.100 -0.608 0.000 1.016 78 G HN 0.008 nan 8.290 nan 0.000 0.503 79 P HA 0.351 nan 4.420 nan 0.000 0.276 79 P C -0.961 176.394 177.300 0.091 0.000 1.252 79 P CA -0.339 62.778 63.100 0.029 0.000 0.802 79 P CB 1.760 33.351 31.700 -0.181 0.000 1.035 80 V N 2.218 122.088 119.914 -0.074 0.000 2.447 80 V HA 0.261 4.381 4.120 -0.001 0.000 0.292 80 V C -0.790 175.212 176.094 -0.153 0.000 1.021 80 V CA -0.464 61.857 62.300 0.036 0.000 0.850 80 V CB 0.806 32.746 31.823 0.195 0.000 1.005 80 V HN 0.387 nan 8.190 nan 0.000 0.426 81 Y N 2.993 123.365 120.300 0.120 0.000 2.330 81 Y HA 0.829 5.378 4.550 -0.001 0.000 0.336 81 Y C 0.465 176.500 175.900 0.225 0.000 1.036 81 Y CA -0.316 57.849 58.100 0.108 0.000 1.125 81 Y CB 1.983 40.443 38.460 -0.001 0.000 1.194 81 Y HN 0.788 nan 8.280 nan 0.000 0.469 82 A N 0.836 123.866 122.820 0.350 0.000 2.608 82 A HA 0.603 4.922 4.320 -0.001 0.000 0.292 82 A C -0.325 177.332 177.584 0.120 0.000 1.066 82 A CA -0.764 51.426 52.037 0.255 0.000 0.676 82 A CB 0.417 19.456 19.000 0.064 0.000 1.277 82 A HN 0.704 nan 8.150 nan 0.000 0.413 83 T N -0.934 113.548 114.554 -0.120 0.000 2.855 83 T HA 0.265 4.615 4.350 -0.001 0.000 0.314 83 T C 1.165 175.778 174.700 -0.144 0.000 1.077 83 T CA 0.426 62.423 62.100 -0.172 0.000 1.095 83 T CB 0.549 69.165 68.868 -0.421 0.000 0.987 83 T HN 0.864 nan 8.240 nan 0.000 0.546 84 R N 1.922 122.412 120.500 -0.017 0.000 2.103 84 R HA -0.083 4.256 4.340 -0.001 0.000 0.242 84 R C 2.467 178.657 176.300 -0.183 0.000 1.142 84 R CA 2.189 58.284 56.100 -0.009 0.000 0.960 84 R CB -1.467 28.918 30.300 0.141 0.000 0.858 84 R HN 0.878 nan 8.270 nan 0.000 0.439 85 A N -0.727 121.738 122.820 -0.592 0.000 1.841 85 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 85 A C 2.286 179.610 177.584 -0.432 0.000 1.199 85 A CA 2.435 53.998 52.037 -0.790 0.000 0.621 85 A CB -1.448 16.546 19.000 -1.677 0.000 0.835 85 A HN 0.479 nan 8.150 nan 0.000 0.445 86 T N -0.143 114.158 114.554 -0.421 0.000 2.714 86 T HA -0.179 4.170 4.350 -0.001 0.000 0.268 86 T C 1.797 176.406 174.700 -0.153 0.000 1.036 86 T CA 1.731 63.681 62.100 -0.251 0.000 1.148 86 T CB -0.557 68.175 68.868 -0.228 0.000 0.856 86 T HN 0.186 nan 8.240 nan 0.000 0.462 87 V N 0.849 120.681 119.914 -0.137 0.000 2.427 87 V HA -0.085 4.034 4.120 -0.001 0.000 0.248 87 V C 2.350 178.403 176.094 -0.068 0.000 1.051 87 V CA 1.396 63.648 62.300 -0.079 0.000 1.048 87 V CB -0.563 31.225 31.823 -0.058 0.000 0.666 87 V HN 0.448 nan 8.190 nan 0.000 0.456 88 L N -1.055 120.119 121.223 -0.081 0.000 2.102 88 L HA -0.037 4.303 4.340 -0.001 0.000 0.202 88 L C 2.369 179.217 176.870 -0.037 0.000 1.076 88 L CA 1.101 55.911 54.840 -0.049 0.000 0.761 88 L CB -0.481 41.553 42.059 -0.041 0.000 0.921 88 L HN 0.235 nan 8.230 nan 0.000 0.444 89 L N -0.638 120.551 121.223 -0.057 0.000 2.043 89 L HA -0.291 4.048 4.340 -0.001 0.000 0.212 89 L C 2.679 179.543 176.870 -0.010 0.000 1.075 89 L CA 1.494 56.319 54.840 -0.025 0.000 0.752 89 L CB -0.422 41.604 42.059 -0.054 0.000 0.891 89 L HN 0.352 nan 8.230 nan 0.000 0.432 90 M N -0.083 119.501 119.600 -0.028 0.000 2.267 90 M HA -0.243 4.236 4.480 -0.001 0.000 0.263 90 M C 2.125 178.419 176.300 -0.010 0.000 1.063 90 M CA 1.717 57.009 55.300 -0.013 0.000 1.090 90 M CB -0.003 32.580 32.600 -0.029 0.000 1.392 90 M HN 0.188 nan 8.290 nan 0.000 0.422 91 E N 0.704 120.894 120.200 -0.016 0.000 2.153 91 E HA -0.166 4.183 4.350 -0.001 0.000 0.194 91 E C 1.333 177.935 176.600 0.003 0.000 0.988 91 E CA 1.673 58.065 56.400 -0.014 0.000 0.811 91 E CB -0.331 29.361 29.700 -0.014 0.000 0.746 91 E HN 0.687 nan 8.360 nan 0.000 0.466 92 I N -0.762 119.816 120.570 0.014 0.000 2.368 92 I HA -0.146 4.024 4.170 -0.001 0.000 0.238 92 I C 2.199 178.343 176.117 0.045 0.000 1.076 92 I CA 0.591 61.908 61.300 0.028 0.000 1.397 92 I CB -0.503 37.516 38.000 0.031 0.000 1.141 92 I HN -0.043 nan 8.210 nan 0.000 0.430 93 V N 1.487 121.436 119.914 0.058 0.000 2.277 93 V HA -0.324 3.795 4.120 -0.001 0.000 0.255 93 V C 2.466 178.617 176.094 0.095 0.000 1.074 93 V CA 1.978 64.331 62.300 0.089 0.000 1.058 93 V CB -0.750 31.135 31.823 0.104 0.000 0.656 93 V HN 0.316 nan 8.190 nan 0.000 0.449 94 L N -0.578 120.684 121.223 0.066 0.000 2.109 94 L HA -0.066 4.273 4.340 -0.001 0.000 0.207 94 L C 2.338 179.266 176.870 0.098 0.000 1.086 94 L CA 1.657 56.539 54.840 0.071 0.000 0.760 94 L CB -0.766 41.281 42.059 -0.020 0.000 0.910 94 L HN 0.357 nan 8.230 nan 0.000 0.437 95 E N -0.832 119.403 120.200 0.059 0.000 2.481 95 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 95 E C 1.401 178.035 176.600 0.056 0.000 1.047 95 E CA 0.563 56.996 56.400 0.056 0.000 0.867 95 E CB 0.037 29.754 29.700 0.029 0.000 0.858 95 E HN 0.538 nan 8.360 nan 0.000 0.513 96 D N 0.680 121.119 120.400 0.064 0.000 2.197 96 D HA -0.046 4.593 4.640 -0.001 0.000 0.212 96 D C 1.854 178.191 176.300 0.062 0.000 0.963 96 D CA 0.921 54.955 54.000 0.056 0.000 0.864 96 D CB 0.111 40.948 40.800 0.062 0.000 1.009 96 D HN 0.066 nan 8.370 nan 0.000 0.479 97 A N 1.176 124.052 122.820 0.093 0.000 2.121 97 A HA 0.025 4.344 4.320 -0.001 0.000 0.218 97 A C 2.442 180.039 177.584 0.021 0.000 1.154 97 A CA 0.283 52.373 52.037 0.088 0.000 0.679 97 A CB -0.798 18.303 19.000 0.168 0.000 0.795 97 A HN 0.394 nan 8.150 nan 0.000 0.458 98 L N -1.610 119.653 121.223 0.067 0.000 2.456 98 L HA -0.086 4.253 4.340 -0.001 0.000 0.224 98 L C 1.906 178.747 176.870 -0.048 0.000 1.148 98 L CA 1.322 56.172 54.840 0.017 0.000 0.825 98 L CB -0.085 42.043 42.059 0.115 0.000 0.937 98 L HN 0.396 nan 8.230 nan 0.000 0.450 99 K N -1.937 118.452 120.400 -0.019 0.000 2.462 99 K HA 0.149 4.469 4.320 -0.001 0.000 0.201 99 K C 0.965 177.556 176.600 -0.015 0.000 1.268 99 K CA 0.096 56.372 56.287 -0.019 0.000 0.933 99 K CB 0.946 33.447 32.500 0.001 0.000 1.162 99 K HN 0.008 nan 8.250 nan 0.000 0.527 100 V N 2.430 122.343 119.914 -0.001 0.000 3.219 100 V HA 0.213 4.332 4.120 -0.001 0.000 0.377 100 V C -0.040 176.058 176.094 0.007 0.000 1.275 100 V CA 0.082 62.388 62.300 0.011 0.000 1.366 100 V CB -0.653 31.189 31.823 0.031 0.000 1.282 100 V HN 0.237 nan 8.190 nan 0.000 0.487 101 M N 0.485 120.067 119.600 -0.029 0.000 2.268 101 M HA 0.347 4.827 4.480 -0.001 0.000 0.344 101 M C 0.957 177.251 176.300 -0.010 0.000 1.106 101 M CA -0.343 54.936 55.300 -0.035 0.000 1.010 101 M CB 1.863 34.364 32.600 -0.165 0.000 1.649 101 M HN 0.255 nan 8.290 nan 0.000 0.443 102 D N 2.822 123.243 120.400 0.035 0.000 2.119 102 D HA -0.105 4.534 4.640 -0.001 0.000 0.199 102 D C -0.390 175.935 176.300 0.041 0.000 0.987 102 D CA 1.832 55.855 54.000 0.038 0.000 0.858 102 D CB 0.393 41.226 40.800 0.055 0.000 1.008 102 D HN 0.677 nan 8.370 nan 0.000 0.450 103 E N 0.760 121.022 120.200 0.104 0.000 2.073 103 E HA 0.260 4.609 4.350 -0.001 0.000 0.269 103 E C -2.256 174.497 176.600 0.255 0.000 0.917 103 E CA -1.893 54.599 56.400 0.152 0.000 0.757 103 E CB 1.829 31.571 29.700 0.071 0.000 1.111 103 E HN 0.308 nan 8.360 nan 0.000 0.410 104 P HA -0.043 nan 4.420 nan 0.000 0.270 104 P C -0.287 176.923 177.300 -0.150 0.000 1.242 104 P CA 0.058 63.027 63.100 -0.219 0.000 0.768 104 P CB -0.000 31.560 31.700 -0.234 0.000 0.820 105 F N 2.691 122.411 119.950 -0.383 0.000 2.727 105 F HA 0.382 4.908 4.527 -0.001 0.000 0.302 105 F C 0.089 175.858 175.800 -0.050 0.000 1.097 105 F CA -0.991 56.808 58.000 -0.335 0.000 1.330 105 F CB -0.416 38.177 39.000 -0.678 0.000 1.084 105 F HN 0.075 nan 8.300 nan 0.000 0.578 106 F N -1.013 118.714 119.950 -0.372 0.000 2.645 106 F HA 0.909 5.435 4.527 -0.001 0.000 0.310 106 F C 0.118 175.821 175.800 -0.162 0.000 1.102 106 F CA -1.877 55.991 58.000 -0.220 0.000 0.952 106 F CB 0.696 39.535 39.000 -0.268 0.000 1.326 106 F HN -0.008 nan 8.300 nan 0.000 0.456 107 G N 0.204 109.146 108.800 0.237 0.000 2.543 107 G HA2 0.535 4.494 3.960 -0.001 0.000 0.290 107 G HA3 0.535 4.494 3.960 -0.001 0.000 0.290 107 G C -2.211 172.800 174.900 0.185 0.000 1.310 107 G CA -1.536 43.646 45.100 0.137 0.000 1.025 107 G HN 0.530 nan 8.290 nan 0.000 0.502 108 P HA -0.047 nan 4.420 nan 0.000 0.217 108 P C 1.277 178.598 177.300 0.035 0.000 1.154 108 P CA 1.320 64.462 63.100 0.070 0.000 0.841 108 P CB 0.221 31.943 31.700 0.036 0.000 0.790 109 E N 0.129 120.344 120.200 0.025 0.000 2.152 109 E HA -0.145 4.205 4.350 -0.001 0.000 0.192 109 E C 1.345 177.929 176.600 -0.027 0.000 0.983 109 E CA 0.683 57.083 56.400 -0.001 0.000 0.818 109 E CB -0.983 28.723 29.700 0.010 0.000 0.758 109 E HN 0.126 nan 8.360 nan 0.000 0.467 110 D N 1.127 121.528 120.400 0.002 0.000 2.265 110 D HA -0.108 4.531 4.640 -0.001 0.000 0.208 110 D C 1.997 178.194 176.300 -0.171 0.000 0.977 110 D CA 0.885 54.867 54.000 -0.030 0.000 0.871 110 D CB 0.292 41.123 40.800 0.051 0.000 0.925 110 D HN 0.150 nan 8.370 nan 0.000 0.485 111 V N 1.410 121.237 119.914 -0.146 0.000 2.535 111 V HA -0.167 3.952 4.120 -0.001 0.000 0.246 111 V C 2.500 178.474 176.094 -0.200 0.000 1.045 111 V CA 1.544 63.719 62.300 -0.210 0.000 1.058 111 V CB -0.269 31.491 31.823 -0.105 0.000 0.689 111 V HN 0.286 nan 8.190 nan 0.000 0.461 112 E N 0.971 121.091 120.200 -0.134 0.000 2.072 112 E HA -0.297 4.052 4.350 -0.001 0.000 0.190 112 E C 2.030 178.534 176.600 -0.161 0.000 0.982 112 E CA 1.539 57.870 56.400 -0.114 0.000 0.803 112 E CB -0.408 29.257 29.700 -0.059 0.000 0.755 112 E HN 0.563 nan 8.360 nan 0.000 0.453 113 E N 1.572 121.660 120.200 -0.187 0.000 2.130 113 E HA -0.226 4.123 4.350 -0.001 0.000 0.196 113 E C 1.896 178.117 176.600 -0.632 0.000 0.998 113 E CA 1.916 58.177 56.400 -0.232 0.000 0.806 113 E CB -0.334 29.267 29.700 -0.164 0.000 0.738 113 E HN 0.410 nan 8.360 nan 0.000 0.459 114 A N 0.413 122.670 122.820 -0.939 0.000 1.832 114 A HA -0.063 4.256 4.320 -0.001 0.000 0.214 114 A C 2.318 179.556 177.584 -0.575 0.000 1.204 114 A CA 1.338 52.508 52.037 -1.445 0.000 0.606 114 A CB -0.906 17.527 19.000 -0.946 0.000 0.849 114 A HN 0.323 nan 8.150 nan 0.000 0.445 115 L N -0.203 120.828 121.223 -0.320 0.000 2.129 115 L HA -0.184 4.155 4.340 -0.001 0.000 0.212 115 L C 2.467 179.282 176.870 -0.092 0.000 1.087 115 L CA 0.973 55.719 54.840 -0.156 0.000 0.757 115 L CB -0.615 41.374 42.059 -0.117 0.000 0.896 115 L HN 0.524 nan 8.230 nan 0.000 0.434 116 G N -2.315 106.442 108.800 -0.071 0.000 2.776 116 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.209 116 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.209 116 G C 0.639 175.553 174.900 0.023 0.000 1.145 116 G CA 0.108 45.206 45.100 -0.003 0.000 0.791 116 G HN 0.444 nan 8.290 nan 0.000 0.530 117 H N -1.135 117.867 119.070 -0.115 0.000 2.923 117 H HA 0.346 4.901 4.556 -0.001 0.000 0.268 117 H C 0.416 175.713 175.328 -0.052 0.000 1.148 117 H CA -0.677 55.355 56.048 -0.027 0.000 1.146 117 H CB 0.402 30.262 29.762 0.164 0.000 1.607 117 H HN 0.119 nan 8.280 nan 0.000 0.566 118 L N 1.834 123.066 121.223 0.016 0.000 2.360 118 L HA 0.303 4.643 4.340 -0.001 0.000 0.276 118 L C 0.184 177.002 176.870 -0.086 0.000 1.121 118 L CA 0.211 55.032 54.840 -0.033 0.000 0.845 118 L CB 0.631 42.674 42.059 -0.027 0.000 1.143 118 L HN 0.087 nan 8.230 nan 0.000 0.452 119 R N 4.751 125.161 120.500 -0.150 0.000 2.599 119 R HA 0.468 4.807 4.340 -0.001 0.000 0.295 119 R C -2.520 173.775 176.300 -0.008 0.000 0.963 119 R CA -1.815 54.207 56.100 -0.130 0.000 0.883 119 R CB 1.965 32.093 30.300 -0.286 0.000 1.171 119 R HN 0.344 nan 8.270 nan 0.000 0.450 120 P HA 0.184 nan 4.420 nan 0.000 0.279 120 P C -1.228 176.157 177.300 0.141 0.000 1.239 120 P CA -0.464 62.684 63.100 0.080 0.000 0.789 120 P CB 1.214 32.941 31.700 0.046 0.000 0.933 121 L N 2.438 123.760 121.223 0.165 0.000 2.516 121 L HA 0.440 4.780 4.340 -0.001 0.000 0.267 121 L C -0.679 176.270 176.870 0.131 0.000 0.957 121 L CA -0.307 54.611 54.840 0.131 0.000 0.860 121 L CB 1.752 43.873 42.059 0.104 0.000 1.265 121 L HN 0.199 nan 8.230 nan 0.000 0.403 122 E N 2.779 122.988 120.200 0.015 0.000 2.254 122 E HA 0.328 4.677 4.350 -0.001 0.000 0.258 122 E C -1.087 175.452 176.600 -0.101 0.000 1.033 122 E CA -0.674 55.663 56.400 -0.104 0.000 0.893 122 E CB 0.561 30.206 29.700 -0.091 0.000 1.204 122 E HN 0.431 nan 8.360 nan 0.000 0.425 123 Y N 0.354 120.682 120.300 0.045 0.000 2.805 123 Y HA 0.160 4.709 4.550 -0.001 0.000 0.331 123 Y C 1.781 177.623 175.900 -0.098 0.000 1.241 123 Y CA 1.542 59.621 58.100 -0.034 0.000 1.546 123 Y CB -0.390 38.035 38.460 -0.059 0.000 1.248 123 Y HN 0.794 nan 8.280 nan 0.000 0.559 124 G N 1.611 110.378 108.800 -0.054 0.000 2.184 124 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.264 124 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.264 124 G C 0.066 174.813 174.900 -0.255 0.000 0.975 124 G CA 0.149 45.146 45.100 -0.171 0.000 0.642 124 G HN 0.597 nan 8.290 nan 0.000 0.536 125 E N -1.054 119.001 120.200 -0.242 0.000 2.319 125 E HA 0.501 4.851 4.350 -0.001 0.000 0.268 125 E C -0.423 175.955 176.600 -0.371 0.000 1.050 125 E CA -0.678 55.623 56.400 -0.166 0.000 0.878 125 E CB 0.781 30.430 29.700 -0.086 0.000 1.066 125 E HN 0.335 nan 8.360 nan 0.000 0.406 126 W N 1.715 122.961 121.300 -0.091 0.000 2.551 126 W HA 0.406 5.065 4.660 -0.001 0.000 0.330 126 W C -0.632 175.790 176.519 -0.163 0.000 1.063 126 W CA -0.618 56.652 57.345 -0.124 0.000 1.222 126 W CB 0.961 30.368 29.460 -0.088 0.000 1.349 126 W HN 0.304 nan 8.180 nan 0.000 0.536 127 L N 3.824 125.043 121.223 -0.008 0.000 2.342 127 L HA 0.673 5.013 4.340 -0.001 0.000 0.271 127 L C -0.730 176.109 176.870 -0.053 0.000 1.008 127 L CA -1.017 53.732 54.840 -0.152 0.000 0.818 127 L CB 1.167 42.962 42.059 -0.440 0.000 1.296 127 L HN 0.342 nan 8.230 nan 0.000 0.427 128 R N 4.972 125.431 120.500 -0.067 0.000 2.621 128 R HA 0.743 5.082 4.340 -0.001 0.000 0.292 128 R C -1.802 174.470 176.300 -0.045 0.000 0.969 128 R CA -0.804 55.277 56.100 -0.033 0.000 0.887 128 R CB 1.898 32.190 30.300 -0.014 0.000 1.180 128 R HN 0.544 nan 8.270 nan 0.000 0.450 129 L N 1.096 122.300 121.223 -0.032 0.000 2.516 129 L HA 0.376 4.716 4.340 -0.001 0.000 0.267 129 L C 0.850 177.713 176.870 -0.012 0.000 0.957 129 L CA -0.019 54.810 54.840 -0.019 0.000 0.860 129 L CB 2.091 44.138 42.059 -0.020 0.000 1.265 129 L HN 0.938 nan 8.230 nan 0.000 0.403 130 G N 2.692 111.488 108.800 -0.007 0.000 2.672 130 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.324 130 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.324 130 G C 0.699 175.591 174.900 -0.013 0.000 1.286 130 G CA 0.779 45.874 45.100 -0.008 0.000 1.004 130 G HN 1.160 nan 8.290 nan 0.000 0.548 131 A N -0.818 121.994 122.820 -0.014 0.000 2.415 131 A HA 0.662 4.981 4.320 -0.001 0.000 0.248 131 A C 0.525 178.100 177.584 -0.015 0.000 1.299 131 A CA 0.964 52.990 52.037 -0.018 0.000 0.899 131 A CB 0.005 18.996 19.000 -0.017 0.000 0.997 131 A HN 1.427 nan 8.150 nan 0.000 0.506 132 L N 0.205 121.422 121.223 -0.011 0.000 2.317 132 L HA 0.650 4.989 4.340 -0.001 0.000 0.281 132 L C -0.514 176.363 176.870 0.012 0.000 1.024 132 L CA 0.012 54.852 54.840 -0.000 0.000 0.810 132 L CB 1.910 43.966 42.059 -0.004 0.000 1.240 132 L HN 0.006 nan 8.230 nan 0.000 0.427 133 S N 5.657 121.390 115.700 0.054 0.000 2.478 133 S HA 0.775 5.244 4.470 -0.001 0.000 0.312 133 S C -0.791 173.960 174.600 0.251 0.000 1.094 133 S CA -0.514 57.776 58.200 0.148 0.000 1.081 133 S CB 1.054 64.313 63.200 0.098 0.000 1.007 133 S HN 0.516 nan 8.310 nan 0.000 0.475 134 L N 2.222 123.541 121.223 0.161 0.000 2.381 134 L HA 0.957 5.296 4.340 -0.001 0.000 0.268 134 L C -0.301 176.341 176.870 -0.380 0.000 0.997 134 L CA -0.780 54.018 54.840 -0.070 0.000 0.818 134 L CB 1.926 43.864 42.059 -0.202 0.000 1.310 134 L HN 0.732 nan 8.230 nan 0.000 0.416 135 A N 1.616 124.059 122.820 -0.628 0.000 2.520 135 A HA 0.796 5.116 4.320 -0.001 0.000 0.298 135 A C -1.430 175.818 177.584 -0.559 0.000 1.051 135 A CA -0.407 51.088 52.037 -0.904 0.000 0.690 135 A CB 1.143 19.087 19.000 -1.760 0.000 1.281 135 A HN 0.374 nan 8.150 nan 0.000 0.402 136 F N 1.031 120.718 119.950 -0.438 0.000 2.375 136 F HA 0.603 5.129 4.527 -0.001 0.000 0.333 136 F C 1.149 176.676 175.800 -0.455 0.000 1.104 136 F CA -0.107 57.675 58.000 -0.363 0.000 1.149 136 F CB 1.786 40.639 39.000 -0.245 0.000 1.190 136 F HN 0.702 nan 8.300 nan 0.000 0.533 137 G N 1.051 109.487 108.800 -0.608 0.000 2.498 137 G HA2 0.450 4.409 3.960 -0.001 0.000 0.312 137 G HA3 0.450 4.409 3.960 -0.001 0.000 0.312 137 G C -1.468 173.144 174.900 -0.481 0.000 1.230 137 G CA -0.728 43.720 45.100 -1.086 0.000 0.968 137 G HN 0.446 nan 8.290 nan 0.000 0.481 138 Q N 0.316 119.993 119.800 -0.205 0.000 2.281 138 Q HA 0.501 4.840 4.340 -0.001 0.000 0.267 138 Q C 0.785 176.866 176.000 0.135 0.000 1.053 138 Q CA 0.649 56.277 55.803 -0.291 0.000 0.905 138 Q CB 1.156 29.649 28.738 -0.409 0.000 1.195 138 Q HN 0.558 nan 8.270 nan 0.000 0.398 139 A N 3.764 126.619 122.820 0.059 0.000 2.063 139 A HA 0.385 4.704 4.320 -0.001 0.000 0.211 139 A C 1.239 178.767 177.584 -0.093 0.000 1.177 139 A CA 0.442 52.501 52.037 0.037 0.000 0.759 139 A CB -0.555 18.419 19.000 -0.042 0.000 0.857 139 A HN 1.359 nan 8.150 nan 0.000 0.468 140 G N -0.677 108.055 108.800 -0.113 0.000 2.372 140 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.297 140 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.297 140 G C 0.297 175.126 174.900 -0.119 0.000 1.005 140 G CA 1.159 46.185 45.100 -0.122 0.000 1.173 140 G HN 0.867 nan 8.290 nan 0.000 0.511 141 H N -0.717 118.176 119.070 -0.295 0.000 2.735 141 H HA 0.620 5.176 4.556 -0.001 0.000 0.250 141 H C 1.017 176.139 175.328 -0.343 0.000 0.948 141 H CA 1.024 56.846 56.048 -0.378 0.000 1.137 141 H CB 0.488 29.895 29.762 -0.592 0.000 1.440 141 H HN 0.415 nan 8.280 nan 0.000 0.444 142 L N -0.041 120.986 121.223 -0.325 0.000 2.600 142 L HA 0.411 4.750 4.340 -0.001 0.000 0.257 142 L C -2.553 174.140 176.870 -0.296 0.000 1.048 142 L CA -2.470 52.162 54.840 -0.345 0.000 0.869 142 L CB 2.616 44.407 42.059 -0.446 0.000 1.482 142 L HN -0.075 nan 8.230 nan 0.000 0.408 143 P HA 0.158 nan 4.420 nan 0.000 0.264 143 P C 0.405 177.402 177.300 -0.505 0.000 1.229 143 P CA 0.710 63.509 63.100 -0.502 0.000 0.780 143 P CB 0.343 31.618 31.700 -0.708 0.000 0.808 144 G N 2.162 110.755 108.800 -0.346 0.000 2.130 144 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.216 144 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.216 144 G C 0.221 174.976 174.900 -0.241 0.000 0.999 144 G CA 0.027 44.903 45.100 -0.373 0.000 0.686 144 G HN 0.704 nan 8.290 nan 0.000 0.515 145 S N -0.454 115.170 115.700 -0.128 0.000 2.562 145 S HA 0.928 5.397 4.470 -0.001 0.000 0.275 145 S C 0.236 174.799 174.600 -0.063 0.000 1.281 145 S CA 0.783 58.899 58.200 -0.140 0.000 1.045 145 S CB 2.253 65.333 63.200 -0.200 0.000 0.962 145 S HN 2.050 nan 8.310 nan 0.000 0.503 146 A N 2.207 124.935 122.820 -0.154 0.000 2.594 146 A HA 0.787 5.106 4.320 -0.001 0.000 0.291 146 A C -0.701 176.860 177.584 -0.037 0.000 1.105 146 A CA -1.071 50.896 52.037 -0.116 0.000 0.694 146 A CB 0.783 19.526 19.000 -0.429 0.000 1.291 146 A HN 1.240 nan 8.150 nan 0.000 0.410 147 F N -0.383 119.556 119.950 -0.019 0.000 2.518 147 F HA 0.888 5.415 4.527 -0.001 0.000 0.338 147 F C -0.373 175.512 175.800 0.143 0.000 1.065 147 F CA -1.323 56.651 58.000 -0.043 0.000 1.012 147 F CB 0.699 39.726 39.000 0.046 0.000 1.297 147 F HN 0.318 nan 8.300 nan 0.000 0.489 148 V N 1.324 121.429 119.914 0.317 0.000 2.628 148 V HA 0.610 4.729 4.120 -0.001 0.000 0.306 148 V C -0.767 175.479 176.094 0.254 0.000 1.045 148 V CA -0.886 61.549 62.300 0.226 0.000 0.905 148 V CB 1.810 33.802 31.823 0.281 0.000 0.997 148 V HN 0.730 nan 8.190 nan 0.000 0.436 149 V N 2.989 122.950 119.914 0.077 0.000 2.444 149 V HA 0.820 4.939 4.120 -0.001 0.000 0.294 149 V C 0.053 176.202 176.094 0.092 0.000 1.022 149 V CA -0.501 61.871 62.300 0.120 0.000 0.850 149 V CB 1.557 33.421 31.823 0.068 0.000 0.992 149 V HN 1.003 nan 8.190 nan 0.000 0.426 150 A N 4.253 127.154 122.820 0.135 0.000 2.319 150 A HA 0.787 5.106 4.320 -0.001 0.000 0.310 150 A C -0.687 176.974 177.584 0.129 0.000 1.152 150 A CA -0.556 51.552 52.037 0.118 0.000 0.783 150 A CB 1.586 20.635 19.000 0.081 0.000 1.184 150 A HN 0.609 nan 8.150 nan 0.000 0.474 151 Q N 1.618 121.508 119.800 0.150 0.000 2.333 151 Q HA 0.705 5.045 4.340 -0.001 0.000 0.267 151 Q C -0.516 175.511 176.000 0.046 0.000 1.012 151 Q CA -0.127 55.733 55.803 0.096 0.000 0.824 151 Q CB 1.932 30.727 28.738 0.095 0.000 1.290 151 Q HN 1.311 nan 8.270 nan 0.000 0.449 152 G N 1.743 110.556 108.800 0.022 0.000 2.519 152 G HA2 0.315 4.275 3.960 -0.001 0.000 0.292 152 G HA3 0.315 4.275 3.960 -0.001 0.000 0.292 152 G C -1.082 173.818 174.900 -0.001 0.000 1.507 152 G CA -0.434 44.669 45.100 0.005 0.000 0.806 152 G HN 0.677 nan 8.290 nan 0.000 0.523 153 E N -0.940 119.254 120.200 -0.009 0.000 2.660 153 E HA -0.262 4.087 4.350 -0.001 0.000 0.260 153 E C 1.445 178.040 176.600 -0.009 0.000 1.122 153 E CA 1.412 57.806 56.400 -0.009 0.000 0.755 153 E CB -1.310 28.387 29.700 -0.006 0.000 1.345 153 E HN 2.466 nan 8.360 nan 0.000 0.421 154 G N -0.341 108.452 108.800 -0.012 0.000 2.162 154 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.260 154 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.260 154 G C 0.141 175.038 174.900 -0.004 0.000 0.976 154 G CA 0.613 45.706 45.100 -0.012 0.000 0.655 154 G HN 0.175 nan 8.290 nan 0.000 0.533 155 R N -0.425 120.077 120.500 0.003 0.000 2.892 155 R HA 0.778 5.117 4.340 -0.001 0.000 0.265 155 R C -0.787 175.528 176.300 0.025 0.000 1.025 155 R CA -0.421 55.685 56.100 0.011 0.000 0.982 155 R CB 1.298 31.604 30.300 0.009 0.000 1.185 155 R HN 0.124 nan 8.270 nan 0.000 0.484 156 T N 1.863 116.436 114.554 0.032 0.000 2.841 156 T HA 0.445 4.795 4.350 -0.001 0.000 0.285 156 T C -0.946 173.790 174.700 0.061 0.000 0.991 156 T CA -0.583 61.550 62.100 0.054 0.000 0.966 156 T CB 1.325 70.228 68.868 0.058 0.000 0.962 156 T HN 0.326 nan 8.240 nan 0.000 0.438 157 L N 4.418 125.690 121.223 0.081 0.000 2.362 157 L HA 0.860 5.200 4.340 -0.001 0.000 0.275 157 L C -1.344 175.613 176.870 0.144 0.000 0.998 157 L CA -0.573 54.322 54.840 0.092 0.000 0.820 157 L CB 1.636 43.739 42.059 0.074 0.000 1.270 157 L HN 0.448 nan 8.230 nan 0.000 0.415 158 V N 5.436 125.452 119.914 0.170 0.000 2.540 158 V HA 0.376 4.496 4.120 -0.001 0.000 0.302 158 V C -1.113 175.182 176.094 0.335 0.000 1.035 158 V CA -0.517 61.943 62.300 0.266 0.000 0.873 158 V CB 1.503 33.460 31.823 0.224 0.000 0.992 158 V HN 0.746 nan 8.190 nan 0.000 0.428 159 Y N 3.681 124.122 120.300 0.234 0.000 2.328 159 Y HA 0.344 4.894 4.550 -0.001 0.000 0.337 159 Y C 1.448 177.497 175.900 0.248 0.000 0.966 159 Y CA -0.224 57.969 58.100 0.156 0.000 1.136 159 Y CB 2.198 40.716 38.460 0.097 0.000 1.170 159 Y HN 0.751 nan 8.280 nan 0.000 0.470 160 S N 4.339 120.077 115.700 0.065 0.000 2.402 160 S HA 0.157 4.626 4.470 -0.001 0.000 0.229 160 S C 1.258 175.532 174.600 -0.544 0.000 1.021 160 S CA 0.969 58.985 58.200 -0.308 0.000 0.974 160 S CB -0.752 62.165 63.200 -0.472 0.000 0.800 160 S HN 1.475 nan 8.310 nan 0.000 0.484 161 G N 1.333 109.551 108.800 -0.970 0.000 2.566 161 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.280 161 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.280 161 G C -1.007 173.679 174.900 -0.357 0.000 1.225 161 G CA 0.310 45.015 45.100 -0.658 0.000 0.966 161 G HN 0.549 nan 8.290 nan 0.000 0.560 162 D N 0.868 121.005 120.400 -0.439 0.000 2.344 162 D HA 0.583 5.222 4.640 -0.001 0.000 0.239 162 D C 0.413 176.217 176.300 -0.826 0.000 1.064 162 D CA -0.278 53.253 54.000 -0.783 0.000 0.829 162 D CB 1.194 41.175 40.800 -1.365 0.000 1.129 162 D HN 0.492 nan 8.370 nan 0.000 0.506 163 L N 1.876 122.692 121.223 -0.679 0.000 2.331 163 L HA 0.434 4.773 4.340 -0.001 0.000 0.278 163 L C 1.485 178.138 176.870 -0.361 0.000 1.106 163 L CA -0.473 54.031 54.840 -0.559 0.000 0.824 163 L CB 1.057 42.724 42.059 -0.654 0.000 1.142 163 L HN 0.314 nan 8.230 nan 0.000 0.443 164 G N 1.900 110.571 108.800 -0.215 0.000 2.588 164 G HA2 0.027 3.987 3.960 -0.001 0.000 0.278 164 G HA3 0.027 3.987 3.960 -0.001 0.000 0.278 164 G C -0.357 174.505 174.900 -0.063 0.000 1.307 164 G CA -0.552 44.502 45.100 -0.078 0.000 1.016 164 G HN 0.763 nan 8.290 nan 0.000 0.503 165 N N -0.600 118.075 118.700 -0.043 0.000 2.437 165 N HA 0.110 4.849 4.740 -0.001 0.000 0.243 165 N C 1.582 177.054 175.510 -0.063 0.000 1.041 165 N CA -0.472 52.567 53.050 -0.018 0.000 0.940 165 N CB 0.667 39.149 38.487 -0.009 0.000 1.133 165 N HN 0.560 nan 8.380 nan 0.000 0.506 166 R N 3.186 123.660 120.500 -0.044 0.000 2.115 166 R HA -0.243 4.096 4.340 -0.001 0.000 0.239 166 R C 1.121 177.367 176.300 -0.091 0.000 1.133 166 R CA 1.997 58.066 56.100 -0.052 0.000 0.935 166 R CB -0.049 30.239 30.300 -0.019 0.000 0.853 166 R HN 0.679 nan 8.270 nan 0.000 0.433 167 E N 0.681 120.832 120.200 -0.081 0.000 2.086 167 E HA -0.200 4.149 4.350 -0.001 0.000 0.200 167 E C 0.467 176.831 176.600 -0.394 0.000 1.012 167 E CA 1.391 57.712 56.400 -0.132 0.000 0.812 167 E CB -0.120 29.573 29.700 -0.011 0.000 0.743 167 E HN 0.410 nan 8.360 nan 0.000 0.453 168 K N 0.533 120.579 120.400 -0.591 0.000 2.323 168 K HA -0.102 4.217 4.320 -0.001 0.000 0.259 168 K C 0.202 176.480 176.600 -0.537 0.000 0.993 168 K CA 1.043 56.724 56.287 -1.009 0.000 0.866 168 K CB 0.171 32.326 32.500 -0.575 0.000 0.997 168 K HN 0.055 nan 8.250 nan 0.000 0.524 169 D N -0.942 119.221 120.400 -0.394 0.000 2.498 169 D HA 0.012 4.652 4.640 -0.001 0.000 0.223 169 D C 1.127 177.370 176.300 -0.095 0.000 1.125 169 D CA -0.077 53.838 54.000 -0.143 0.000 0.835 169 D CB 0.449 41.250 40.800 0.000 0.000 1.086 169 D HN 0.100 nan 8.370 nan 0.000 0.510 170 V N 0.813 120.667 119.914 -0.100 0.000 2.548 170 V HA -0.012 4.107 4.120 -0.001 0.000 0.249 170 V C 0.614 176.758 176.094 0.083 0.000 1.055 170 V CA 0.959 63.192 62.300 -0.111 0.000 1.065 170 V CB -0.085 31.743 31.823 0.009 0.000 0.681 170 V HN 0.220 nan 8.190 nan 0.000 0.462 171 L N 1.115 122.359 121.223 0.034 0.000 2.334 171 L HA 0.494 4.833 4.340 -0.001 0.000 0.272 171 L C -2.278 174.575 176.870 -0.029 0.000 1.020 171 L CA -2.089 52.766 54.840 0.024 0.000 0.812 171 L CB 0.946 42.977 42.059 -0.047 0.000 1.264 171 L HN 0.066 nan 8.230 nan 0.000 0.439 172 P HA 0.070 nan 4.420 nan 0.000 0.272 172 P C -0.788 176.467 177.300 -0.075 0.000 1.223 172 P CA -0.476 62.589 63.100 -0.059 0.000 0.784 172 P CB 0.742 32.392 31.700 -0.084 0.000 0.923 173 D N 2.243 122.608 120.400 -0.058 0.000 2.443 173 D HA 0.156 4.795 4.640 -0.001 0.000 0.239 173 D C -2.013 174.267 176.300 -0.034 0.000 1.136 173 D CA -0.513 53.461 54.000 -0.044 0.000 0.879 173 D CB -0.813 39.972 40.800 -0.025 0.000 1.195 173 D HN 0.222 nan 8.370 nan 0.000 0.443 174 P HA 0.110 nan 4.420 nan 0.000 0.276 174 P C -0.597 176.790 177.300 0.145 0.000 1.230 174 P CA -0.340 62.791 63.100 0.052 0.000 0.776 174 P CB 0.940 32.644 31.700 0.007 0.000 0.888 175 S N 3.235 119.071 115.700 0.226 0.000 2.601 175 S HA 0.315 4.784 4.470 -0.001 0.000 0.271 175 S C 0.058 174.780 174.600 0.204 0.000 1.305 175 S CA -0.651 57.679 58.200 0.216 0.000 1.022 175 S CB -0.096 63.241 63.200 0.229 0.000 0.940 175 S HN 0.228 nan 8.310 nan 0.000 0.525 176 L N 4.940 126.152 121.223 -0.019 0.000 2.452 176 L HA 0.390 4.729 4.340 -0.001 0.000 0.267 176 L C -1.604 175.032 176.870 -0.390 0.000 1.188 176 L CA -1.655 52.964 54.840 -0.368 0.000 0.821 176 L CB 0.222 42.120 42.059 -0.269 0.000 1.102 176 L HN 0.603 nan 8.230 nan 0.000 0.470 177 P HA 0.350 nan 4.420 nan 0.000 0.280 177 P C -2.700 174.449 177.300 -0.251 0.000 1.272 177 P CA -1.597 61.187 63.100 -0.526 0.000 0.819 177 P CB 0.534 31.585 31.700 -1.082 0.000 1.122 178 P HA 0.200 nan 4.420 nan 0.000 0.279 178 P C -0.263 176.997 177.300 -0.066 0.000 1.252 178 P CA -0.584 62.499 63.100 -0.029 0.000 0.811 178 P CB 0.523 32.260 31.700 0.062 0.000 1.035 179 L N 1.205 122.396 121.223 -0.053 0.000 2.540 179 L HA 0.344 4.683 4.340 -0.001 0.000 0.276 179 L C -0.303 176.554 176.870 -0.021 0.000 1.212 179 L CA 0.518 55.328 54.840 -0.051 0.000 0.893 179 L CB -0.754 41.284 42.059 -0.034 0.000 1.138 179 L HN 0.584 nan 8.230 nan 0.000 0.491 180 A N 3.868 126.676 122.820 -0.021 0.000 2.454 180 A HA 0.518 4.837 4.320 -0.001 0.000 0.302 180 A C 0.445 178.034 177.584 0.009 0.000 1.079 180 A CA -0.537 51.505 52.037 0.009 0.000 0.731 180 A CB 0.826 19.842 19.000 0.026 0.000 1.299 180 A HN 0.764 nan 8.150 nan 0.000 0.413 181 D N -0.305 120.106 120.400 0.017 0.000 2.117 181 D HA -0.010 4.630 4.640 -0.001 0.000 0.197 181 D C 0.220 176.529 176.300 0.016 0.000 0.987 181 D CA 1.891 55.898 54.000 0.013 0.000 0.829 181 D CB 0.021 40.829 40.800 0.014 0.000 0.961 181 D HN 0.341 nan 8.370 nan 0.000 0.460 182 L N -0.089 121.150 121.223 0.027 0.000 2.431 182 L HA 0.396 4.735 4.340 -0.001 0.000 0.266 182 L C -1.541 175.361 176.870 0.054 0.000 0.978 182 L CA -0.738 54.121 54.840 0.031 0.000 0.822 182 L CB 2.536 44.609 42.059 0.023 0.000 1.310 182 L HN -0.320 nan 8.230 nan 0.000 0.409 183 V N 5.508 125.461 119.914 0.064 0.000 2.378 183 V HA 0.412 4.531 4.120 -0.001 0.000 0.288 183 V C -0.514 175.650 176.094 0.116 0.000 1.016 183 V CA -0.483 61.884 62.300 0.112 0.000 0.840 183 V CB 1.522 33.417 31.823 0.119 0.000 0.994 183 V HN 0.643 nan 8.190 nan 0.000 0.431 184 L N 5.790 127.096 121.223 0.138 0.000 2.328 184 L HA 0.741 5.080 4.340 -0.001 0.000 0.280 184 L C 0.480 177.461 176.870 0.186 0.000 1.111 184 L CA 0.266 55.160 54.840 0.089 0.000 0.909 184 L CB 0.264 42.294 42.059 -0.047 0.000 1.277 184 L HN 0.749 nan 8.230 nan 0.000 0.433 185 A N 3.909 126.814 122.820 0.141 0.000 2.306 185 A HA 0.647 4.966 4.320 -0.001 0.000 0.330 185 A C -0.001 177.631 177.584 0.080 0.000 1.146 185 A CA -0.638 51.466 52.037 0.111 0.000 0.827 185 A CB 0.640 19.720 19.000 0.133 0.000 1.178 185 A HN 0.760 nan 8.150 nan 0.000 0.490 186 E N 0.305 120.512 120.200 0.012 0.000 2.605 186 E HA 0.529 4.878 4.350 -0.001 0.000 0.255 186 E C 0.532 177.162 176.600 0.051 0.000 1.369 186 E CA -0.033 56.394 56.400 0.044 0.000 1.017 186 E CB 0.406 30.056 29.700 -0.082 0.000 1.086 186 E HN 0.794 nan 8.360 nan 0.000 0.605 187 G N -0.711 108.138 108.800 0.081 0.000 4.731 187 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.224 187 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.224 187 G C 0.619 175.542 174.900 0.038 0.000 0.955 187 G CA 0.252 45.387 45.100 0.059 0.000 0.809 187 G HN 0.456 nan 8.290 nan 0.000 0.307 188 T N 0.416 114.996 114.554 0.043 0.000 2.624 188 T HA -0.248 4.101 4.350 -0.001 0.000 0.266 188 T C 1.013 175.565 174.700 -0.246 0.000 1.050 188 T CA 1.554 63.583 62.100 -0.119 0.000 1.163 188 T CB -0.242 68.466 68.868 -0.267 0.000 0.861 188 T HN 0.348 nan 8.240 nan 0.000 0.443 189 Y N 0.627 120.896 120.300 -0.051 0.000 2.685 189 Y HA 0.514 5.063 4.550 -0.001 0.000 0.339 189 Y C 1.530 177.403 175.900 -0.046 0.000 0.961 189 Y CA -0.903 57.174 58.100 -0.038 0.000 1.330 189 Y CB 0.337 38.771 38.460 -0.042 0.000 1.269 189 Y HN 0.199 nan 8.280 nan 0.000 0.566 190 G N -0.496 108.345 108.800 0.067 0.000 2.985 190 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.209 190 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.209 190 G C 1.066 175.992 174.900 0.043 0.000 1.165 190 G CA 0.511 45.641 45.100 0.048 0.000 0.776 190 G HN 0.469 nan 8.290 nan 0.000 0.541 191 D N 0.214 120.644 120.400 0.051 0.000 2.271 191 D HA 0.079 4.719 4.640 -0.001 0.000 0.206 191 D C 1.052 177.389 176.300 0.061 0.000 0.967 191 D CA 0.193 54.223 54.000 0.050 0.000 0.867 191 D CB 0.209 41.037 40.800 0.047 0.000 0.960 191 D HN 0.428 nan 8.370 nan 0.000 0.509 192 R N -1.816 118.731 120.500 0.078 0.000 2.753 192 R HA 0.454 4.793 4.340 -0.001 0.000 0.272 192 R C -3.157 173.163 176.300 0.033 0.000 1.034 192 R CA -1.391 54.749 56.100 0.066 0.000 0.869 192 R CB -0.520 29.834 30.300 0.089 0.000 1.264 192 R HN -0.215 nan 8.270 nan 0.000 0.481 193 P HA 0.227 nan 4.420 nan 0.000 0.276 193 P C -0.625 176.648 177.300 -0.045 0.000 1.261 193 P CA -0.174 62.873 63.100 -0.089 0.000 0.800 193 P CB 0.532 32.216 31.700 -0.027 0.000 1.066 194 H N 0.412 119.482 119.070 -0.000 0.000 2.294 194 H HA 0.347 4.903 4.556 -0.001 0.000 0.318 194 H C 0.588 175.934 175.328 0.031 0.000 1.644 194 H CA -0.037 56.005 56.048 -0.010 0.000 1.466 194 H CB 0.303 30.026 29.762 -0.067 0.000 1.735 194 H HN 0.274 nan 8.280 nan 0.000 0.676 195 R N 0.977 121.597 120.500 0.201 0.000 2.275 195 R HA 0.264 4.603 4.340 -0.001 0.000 0.326 195 R C -2.537 173.831 176.300 0.114 0.000 0.973 195 R CA -1.849 54.326 56.100 0.125 0.000 0.854 195 R CB 0.902 31.263 30.300 0.102 0.000 1.156 195 R HN 0.344 nan 8.270 nan 0.000 0.487 196 P HA -0.244 nan 4.420 nan 0.000 0.259 196 P C -0.154 177.215 177.300 0.115 0.000 1.120 196 P CA 0.873 64.040 63.100 0.110 0.000 0.759 196 P CB 0.211 31.961 31.700 0.084 0.000 0.704 197 Y N 4.747 125.047 120.300 0.001 0.000 2.556 197 Y HA -0.277 4.272 4.550 -0.001 0.000 0.290 197 Y C 1.971 177.859 175.900 -0.020 0.000 1.149 197 Y CA 1.296 59.368 58.100 -0.047 0.000 1.329 197 Y CB -0.002 38.409 38.460 -0.082 0.000 0.975 197 Y HN 0.246 nan 8.280 nan 0.000 0.561 198 R N 0.752 121.325 120.500 0.120 0.000 2.078 198 R HA -0.187 4.152 4.340 -0.001 0.000 0.224 198 R C 2.264 178.568 176.300 0.006 0.000 1.149 198 R CA 2.000 58.146 56.100 0.078 0.000 0.916 198 R CB -1.159 29.190 30.300 0.082 0.000 0.821 198 R HN 0.678 nan 8.270 nan 0.000 0.434 199 E N 0.254 120.464 120.200 0.015 0.000 2.204 199 E HA -0.122 4.228 4.350 -0.001 0.000 0.195 199 E C 1.531 178.126 176.600 -0.008 0.000 0.990 199 E CA 1.521 57.926 56.400 0.007 0.000 0.821 199 E CB -0.440 29.273 29.700 0.021 0.000 0.750 199 E HN 0.176 nan 8.360 nan 0.000 0.477 200 T N 1.568 116.100 114.554 -0.036 0.000 2.595 200 T HA -0.142 4.207 4.350 -0.001 0.000 0.264 200 T C 2.070 176.784 174.700 0.023 0.000 1.058 200 T CA 1.812 63.901 62.100 -0.017 0.000 1.166 200 T CB -0.424 68.392 68.868 -0.086 0.000 0.863 200 T HN 0.070 nan 8.240 nan 0.000 0.415 201 V N 1.669 121.498 119.914 -0.143 0.000 2.867 201 V HA -0.110 4.009 4.120 -0.001 0.000 0.260 201 V C 2.528 178.637 176.094 0.025 0.000 1.099 201 V CA 1.317 63.616 62.300 -0.002 0.000 1.122 201 V CB -0.822 30.865 31.823 -0.226 0.000 0.708 201 V HN 0.353 nan 8.190 nan 0.000 0.490 202 R N 0.588 121.078 120.500 -0.016 0.000 2.070 202 R HA -0.207 4.133 4.340 -0.001 0.000 0.233 202 R C 2.330 178.630 176.300 0.000 0.000 1.137 202 R CA 2.089 58.180 56.100 -0.016 0.000 0.945 202 R CB -0.187 30.109 30.300 -0.006 0.000 0.845 202 R HN 0.611 nan 8.270 nan 0.000 0.430 203 E N -0.528 119.686 120.200 0.022 0.000 2.427 203 E HA -0.138 4.212 4.350 -0.001 0.000 0.196 203 E C 1.552 178.200 176.600 0.080 0.000 1.028 203 E CA 0.136 56.541 56.400 0.008 0.000 0.864 203 E CB -0.074 29.604 29.700 -0.037 0.000 0.813 203 E HN 0.458 nan 8.360 nan 0.000 0.514 204 F N 0.434 120.357 119.950 -0.046 0.000 2.293 204 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 204 F C 1.486 177.261 175.800 -0.040 0.000 1.086 204 F CA 0.651 58.637 58.000 -0.023 0.000 1.375 204 F CB 0.313 39.352 39.000 0.064 0.000 1.045 204 F HN 0.032 nan 8.300 nan 0.000 0.516 205 L N -0.302 120.829 121.223 -0.153 0.000 2.354 205 L HA 0.004 4.343 4.340 -0.001 0.000 0.212 205 L C 1.421 178.205 176.870 -0.143 0.000 1.091 205 L CA 0.476 55.159 54.840 -0.261 0.000 0.828 205 L CB -0.452 41.474 42.059 -0.221 0.000 0.973 205 L HN -0.000 nan 8.230 nan 0.000 0.461 206 E N 0.502 120.656 120.200 -0.076 0.000 2.461 206 E HA 0.002 4.351 4.350 -0.001 0.000 0.196 206 E C 1.135 177.712 176.600 -0.039 0.000 1.129 206 E CA 0.438 56.807 56.400 -0.051 0.000 0.902 206 E CB 0.184 29.859 29.700 -0.042 0.000 0.963 206 E HN 0.579 nan 8.360 nan 0.000 0.503 207 I N -1.268 119.273 120.570 -0.049 0.000 4.983 207 I HA -0.035 4.134 4.170 -0.001 0.000 0.346 207 I C 1.447 177.536 176.117 -0.047 0.000 1.261 207 I CA 0.062 61.357 61.300 -0.008 0.000 1.406 207 I CB 0.428 38.466 38.000 0.063 0.000 1.529 207 I HN 0.071 nan 8.210 nan 0.000 0.524 208 L N 0.974 122.118 121.223 -0.131 0.000 2.034 208 L HA -0.018 4.321 4.340 -0.001 0.000 0.203 208 L C 2.383 179.196 176.870 -0.095 0.000 1.074 208 L CA 1.567 56.313 54.840 -0.155 0.000 0.748 208 L CB -0.258 41.626 42.059 -0.291 0.000 0.905 208 L HN 0.171 nan 8.230 nan 0.000 0.439 209 E N 0.152 120.296 120.200 -0.093 0.000 2.028 209 E HA -0.262 4.087 4.350 -0.001 0.000 0.191 209 E C 2.029 178.607 176.600 -0.038 0.000 0.988 209 E CA 0.945 57.309 56.400 -0.060 0.000 0.799 209 E CB -0.035 29.631 29.700 -0.055 0.000 0.755 209 E HN 0.131 nan 8.360 nan 0.000 0.447 210 K N 0.391 120.771 120.400 -0.034 0.000 2.163 210 K HA -0.203 4.116 4.320 -0.001 0.000 0.210 210 K C 1.945 178.539 176.600 -0.009 0.000 1.048 210 K CA 2.121 58.399 56.287 -0.015 0.000 0.928 210 K CB -0.299 32.198 32.500 -0.006 0.000 0.716 210 K HN 0.070 nan 8.250 nan 0.000 0.459 211 T N -0.364 114.182 114.554 -0.013 0.000 2.988 211 T HA 0.140 4.489 4.350 -0.001 0.000 0.240 211 T C 1.492 176.187 174.700 -0.009 0.000 1.014 211 T CA 0.576 62.672 62.100 -0.007 0.000 1.155 211 T CB -0.054 68.812 68.868 -0.002 0.000 0.872 211 T HN 0.054 nan 8.240 nan 0.000 0.440 212 L N 1.713 122.926 121.223 -0.016 0.000 2.551 212 L HA -0.025 4.314 4.340 -0.001 0.000 0.230 212 L C 2.084 178.948 176.870 -0.010 0.000 1.163 212 L CA 0.643 55.476 54.840 -0.012 0.000 0.826 212 L CB -0.468 41.578 42.059 -0.021 0.000 0.943 212 L HN 0.238 nan 8.230 nan 0.000 0.452 213 S N -0.828 114.864 115.700 -0.013 0.000 2.503 213 S HA -0.043 4.426 4.470 -0.001 0.000 0.215 213 S C 1.385 175.981 174.600 -0.006 0.000 1.003 213 S CA 0.073 58.267 58.200 -0.010 0.000 0.910 213 S CB 0.179 63.371 63.200 -0.013 0.000 0.790 213 S HN 0.594 nan 8.310 nan 0.000 0.514 214 Q N 0.234 120.031 119.800 -0.004 0.000 2.186 214 Q HA 0.503 4.843 4.340 -0.001 0.000 0.241 214 Q C 0.983 176.982 176.000 -0.001 0.000 0.849 214 Q CA 0.324 56.125 55.803 -0.002 0.000 1.053 214 Q CB 0.185 28.922 28.738 -0.002 0.000 1.146 214 Q HN 0.280 nan 8.270 nan 0.000 0.475 215 G N 0.315 109.115 108.800 0.000 0.000 2.284 215 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.261 215 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.261 215 G C 0.539 175.442 174.900 0.004 0.000 0.997 215 G CA -0.140 44.962 45.100 0.003 0.000 0.621 215 G HN 0.780 nan 8.290 nan 0.000 0.534 216 G N 0.429 109.231 108.800 0.002 0.000 2.414 216 G HA2 0.425 4.385 3.960 -0.001 0.000 0.236 216 G HA3 0.425 4.385 3.960 -0.001 0.000 0.236 216 G C 0.193 175.099 174.900 0.010 0.000 1.293 216 G CA 0.234 45.335 45.100 0.003 0.000 0.869 216 G HN 0.572 nan 8.290 nan 0.000 0.556 217 K N 0.721 121.129 120.400 0.013 0.000 2.249 217 K HA 0.298 4.617 4.320 -0.001 0.000 0.280 217 K C -0.416 176.200 176.600 0.027 0.000 1.033 217 K CA -0.562 55.742 56.287 0.027 0.000 0.946 217 K CB 2.078 34.595 32.500 0.029 0.000 1.005 217 K HN 0.168 nan 8.250 nan 0.000 0.469 218 V N 5.191 125.130 119.914 0.041 0.000 2.304 218 V HA 0.098 4.217 4.120 -0.001 0.000 0.262 218 V C -0.509 175.618 176.094 0.054 0.000 1.061 218 V CA -0.614 61.709 62.300 0.040 0.000 0.872 218 V CB 0.059 31.905 31.823 0.039 0.000 1.077 218 V HN 0.487 nan 8.190 nan 0.000 0.480 219 L N 6.707 127.948 121.223 0.029 0.000 2.276 219 L HA 0.553 4.892 4.340 -0.001 0.000 0.286 219 L C -0.128 176.732 176.870 -0.018 0.000 1.061 219 L CA 0.282 55.135 54.840 0.020 0.000 0.807 219 L CB 1.167 43.234 42.059 0.014 0.000 1.177 219 L HN 0.439 nan 8.230 nan 0.000 0.429 220 I N 5.800 126.365 120.570 -0.008 0.000 2.468 220 I HA 0.319 4.488 4.170 -0.001 0.000 0.284 220 I C -2.371 173.722 176.117 -0.040 0.000 1.038 220 I CA -1.682 59.602 61.300 -0.026 0.000 1.083 220 I CB 2.424 40.435 38.000 0.019 0.000 1.223 220 I HN 0.402 nan 8.210 nan 0.000 0.443 221 P HA 0.183 nan 4.420 nan 0.000 0.281 221 P C -0.583 176.671 177.300 -0.076 0.000 1.286 221 P CA 0.055 63.113 63.100 -0.069 0.000 0.772 221 P CB 0.986 32.672 31.700 -0.023 0.000 0.862 222 T N 0.291 114.780 114.554 -0.108 0.000 2.883 222 T HA 0.616 4.966 4.350 -0.001 0.000 0.296 222 T C -0.419 174.201 174.700 -0.135 0.000 1.117 222 T CA -0.725 61.339 62.100 -0.060 0.000 1.006 222 T CB 0.744 69.648 68.868 0.061 0.000 1.191 222 T HN -0.021 nan 8.240 nan 0.000 0.508 223 F N 1.039 121.020 119.950 0.052 0.000 2.410 223 F HA 0.568 5.094 4.527 -0.001 0.000 0.348 223 F C 1.590 177.418 175.800 0.047 0.000 1.106 223 F CA -1.003 57.029 58.000 0.054 0.000 1.163 223 F CB 0.824 39.866 39.000 0.070 0.000 1.129 223 F HN 0.869 nan 8.300 nan 0.000 0.516 224 A N 2.804 125.731 122.820 0.179 0.000 2.264 224 A HA 0.099 4.419 4.320 -0.001 0.000 0.207 224 A C 1.514 179.155 177.584 0.094 0.000 1.196 224 A CA 0.804 52.899 52.037 0.097 0.000 0.778 224 A CB -0.811 18.225 19.000 0.060 0.000 0.779 224 A HN 0.632 nan 8.150 nan 0.000 0.483 225 V N -1.313 118.704 119.914 0.172 0.000 2.391 225 V HA 0.021 4.141 4.120 -0.001 0.000 0.237 225 V C 2.271 178.426 176.094 0.101 0.000 1.046 225 V CA 1.640 64.025 62.300 0.142 0.000 1.053 225 V CB -0.186 31.775 31.823 0.230 0.000 0.704 225 V HN 0.587 nan 8.190 nan 0.000 0.475 226 E N -0.450 119.834 120.200 0.141 0.000 2.475 226 E HA 0.044 4.393 4.350 -0.001 0.000 0.205 226 E C 2.193 178.878 176.600 0.140 0.000 0.822 226 E CA 0.006 56.483 56.400 0.129 0.000 1.240 226 E CB 0.368 30.109 29.700 0.068 0.000 1.222 226 E HN 0.176 nan 8.360 nan 0.000 0.581 227 R N 1.435 122.047 120.500 0.187 0.000 2.105 227 R HA 0.043 4.382 4.340 -0.001 0.000 0.239 227 R C 1.969 178.391 176.300 0.203 0.000 1.135 227 R CA 1.802 58.042 56.100 0.233 0.000 0.967 227 R CB -0.756 29.746 30.300 0.337 0.000 0.861 227 R HN 0.151 nan 8.270 nan 0.000 0.442 228 A N -0.058 122.855 122.820 0.154 0.000 2.066 228 A HA -0.089 4.231 4.320 -0.001 0.000 0.218 228 A C 1.652 179.275 177.584 0.064 0.000 1.157 228 A CA 1.010 53.106 52.037 0.099 0.000 0.670 228 A CB -0.187 18.848 19.000 0.058 0.000 0.804 228 A HN 0.348 nan 8.150 nan 0.000 0.453 229 Q N -0.553 119.250 119.800 0.005 0.000 2.250 229 Q HA -0.049 4.290 4.340 -0.001 0.000 0.200 229 Q C 1.737 177.832 176.000 0.158 0.000 0.941 229 Q CA 1.162 56.897 55.803 -0.113 0.000 0.872 229 Q CB -0.264 28.157 28.738 -0.530 0.000 0.965 229 Q HN 0.903 nan 8.270 nan 0.000 0.480 230 E N 0.760 121.107 120.200 0.246 0.000 2.152 230 E HA -0.100 4.250 4.350 -0.001 0.000 0.192 230 E C 1.745 178.624 176.600 0.465 0.000 0.983 230 E CA 0.336 56.969 56.400 0.388 0.000 0.818 230 E CB 0.279 30.173 29.700 0.323 0.000 0.758 230 E HN 0.130 nan 8.360 nan 0.000 0.467 231 I N 1.293 122.096 120.570 0.389 0.000 2.315 231 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 231 I C 2.350 178.712 176.117 0.409 0.000 1.117 231 I CA 0.913 62.462 61.300 0.415 0.000 1.404 231 I CB -0.861 37.312 38.000 0.289 0.000 1.071 231 I HN 0.268 nan 8.210 nan 0.000 0.419 232 L N -0.769 120.666 121.223 0.353 0.000 2.201 232 L HA -0.236 4.104 4.340 -0.001 0.000 0.212 232 L C 2.596 179.697 176.870 0.384 0.000 1.105 232 L CA 1.142 56.174 54.840 0.320 0.000 0.775 232 L CB -0.685 41.533 42.059 0.265 0.000 0.913 232 L HN 0.188 nan 8.230 nan 0.000 0.440 233 Y N -0.104 120.410 120.300 0.357 0.000 2.337 233 Y HA -0.099 4.451 4.550 -0.001 0.000 0.293 233 Y C 2.235 178.302 175.900 0.277 0.000 1.123 233 Y CA 0.913 59.164 58.100 0.251 0.000 1.201 233 Y CB 0.060 38.670 38.460 0.250 0.000 1.011 233 Y HN -0.151 nan 8.280 nan 0.000 0.545 234 V N 0.348 120.500 119.914 0.397 0.000 2.667 234 V HA -0.255 3.864 4.120 -0.001 0.000 0.252 234 V C 2.100 178.379 176.094 0.308 0.000 1.065 234 V CA 1.569 64.124 62.300 0.424 0.000 1.083 234 V CB -0.564 31.631 31.823 0.620 0.000 0.692 234 V HN 0.396 nan 8.190 nan 0.000 0.468 235 L N -1.645 119.727 121.223 0.248 0.000 2.418 235 L HA -0.035 4.304 4.340 -0.001 0.000 0.218 235 L C 2.297 179.216 176.870 0.082 0.000 1.125 235 L CA 1.131 56.054 54.840 0.138 0.000 0.835 235 L CB -0.447 41.701 42.059 0.149 0.000 0.953 235 L HN 0.373 nan 8.230 nan 0.000 0.454 236 Y N 1.034 121.290 120.300 -0.072 0.000 2.397 236 Y HA -0.098 4.451 4.550 -0.001 0.000 0.292 236 Y C 2.428 178.201 175.900 -0.211 0.000 1.115 236 Y CA 1.339 59.358 58.100 -0.135 0.000 1.208 236 Y CB 0.216 38.584 38.460 -0.154 0.000 1.046 236 Y HN 0.125 nan 8.280 nan 0.000 0.552 237 T N -3.278 111.108 114.554 -0.280 0.000 3.186 237 T HA 0.193 4.543 4.350 -0.001 0.000 0.257 237 T C 0.376 174.723 174.700 -0.588 0.000 1.029 237 T CA 0.107 61.953 62.100 -0.424 0.000 0.916 237 T CB -0.263 68.304 68.868 -0.501 0.000 1.041 237 T HN 0.402 nan 8.240 nan 0.000 0.562 238 H N -0.754 118.158 119.070 -0.263 0.000 3.726 238 H HA 0.329 4.884 4.556 -0.002 0.000 0.262 238 H C 1.712 176.672 175.328 -0.613 0.000 1.181 238 H CA 0.031 55.764 56.048 -0.525 0.000 1.143 238 H CB 0.573 30.183 29.762 -0.253 0.000 1.627 238 H HN 0.466 nan 8.280 nan 0.000 0.750 239 G N 0.896 109.518 108.800 -0.297 0.000 3.327 239 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.240 239 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.240 239 G C 0.717 175.506 174.900 -0.184 0.000 1.222 239 G CA -0.117 44.859 45.100 -0.206 0.000 0.871 239 G HN 0.419 nan 8.290 nan 0.000 0.525 240 H N -1.041 117.975 119.070 -0.089 0.000 2.538 240 H HA 0.348 4.903 4.556 -0.002 0.000 0.286 240 H C 1.264 176.557 175.328 -0.057 0.000 1.035 240 H CA -0.432 55.559 56.048 -0.095 0.000 1.169 240 H CB 0.250 29.940 29.762 -0.119 0.000 1.417 240 H HN 0.400 nan 8.280 nan 0.000 0.567 241 R N -0.874 119.632 120.500 0.010 0.000 2.507 241 R HA 0.230 4.569 4.340 -0.001 0.000 0.180 241 R C -1.680 174.600 176.300 -0.033 0.000 0.574 241 R CA -0.180 55.947 56.100 0.044 0.000 0.804 241 R CB -1.436 28.959 30.300 0.159 0.000 1.231 241 R HN 0.222 nan 8.270 nan 0.000 0.565 242 L N 2.452 123.632 121.223 -0.071 0.000 2.325 242 L HA 0.690 5.030 4.340 -0.001 0.000 0.278 242 L C -1.755 175.085 176.870 -0.050 0.000 1.023 242 L CA -2.369 52.425 54.840 -0.077 0.000 0.811 242 L CB 1.636 43.628 42.059 -0.112 0.000 1.249 242 L HN 0.026 nan 8.230 nan 0.000 0.431 243 P HA -0.007 nan 4.420 nan 0.000 0.261 243 P C -0.698 176.589 177.300 -0.022 0.000 1.203 243 P CA -0.370 62.714 63.100 -0.027 0.000 0.767 243 P CB 0.241 31.926 31.700 -0.024 0.000 0.785 244 R N 2.441 122.932 120.500 -0.016 0.000 2.560 244 R HA 0.186 4.525 4.340 -0.001 0.000 0.296 244 R C 0.426 176.725 176.300 -0.001 0.000 0.873 244 R CA 0.713 56.807 56.100 -0.010 0.000 1.140 244 R CB -1.088 29.209 30.300 -0.005 0.000 0.875 244 R HN 0.665 nan 8.270 nan 0.000 0.419 245 A N 5.385 128.206 122.820 0.003 0.000 2.530 245 A HA 0.433 4.753 4.320 -0.001 0.000 0.297 245 A C -2.541 175.059 177.584 0.027 0.000 1.059 245 A CA -1.328 50.721 52.037 0.021 0.000 0.782 245 A CB 1.600 20.611 19.000 0.019 0.000 1.301 245 A HN 0.472 nan 8.150 nan 0.000 0.394 246 P HA 0.453 nan 4.420 nan 0.000 0.271 246 P C -0.760 176.562 177.300 0.036 0.000 1.218 246 P CA 0.185 63.291 63.100 0.010 0.000 0.780 246 P CB 0.732 32.466 31.700 0.057 0.000 0.901 247 I N 2.835 123.361 120.570 -0.074 0.000 2.411 247 I HA 0.256 4.426 4.170 -0.001 0.000 0.284 247 I C -0.412 175.650 176.117 -0.091 0.000 1.012 247 I CA -0.863 60.441 61.300 0.007 0.000 1.119 247 I CB 0.890 38.908 38.000 0.030 0.000 1.261 247 I HN 0.245 nan 8.210 nan 0.000 0.448 248 Y N 5.867 126.206 120.300 0.065 0.000 2.342 248 Y HA 0.373 4.922 4.550 -0.002 0.000 0.334 248 Y C -0.050 175.885 175.900 0.059 0.000 1.067 248 Y CA -0.824 57.316 58.100 0.067 0.000 1.128 248 Y CB 1.565 40.075 38.460 0.083 0.000 1.200 248 Y HN 0.351 nan 8.280 nan 0.000 0.464 249 L N 4.704 126.031 121.223 0.174 0.000 2.360 249 L HA 0.253 4.592 4.340 -0.001 0.000 0.265 249 L C -0.569 176.368 176.870 0.110 0.000 1.066 249 L CA -0.262 54.644 54.840 0.109 0.000 0.929 249 L CB 0.010 42.107 42.059 0.064 0.000 1.306 249 L HN 0.732 nan 8.230 nan 0.000 0.434 250 D N 2.449 122.907 120.400 0.097 0.000 2.608 250 D HA 0.177 4.816 4.640 -0.001 0.000 0.224 250 D C -0.471 175.842 176.300 0.021 0.000 1.123 250 D CA 0.492 54.536 54.000 0.073 0.000 1.030 250 D CB 0.238 41.064 40.800 0.044 0.000 1.093 250 D HN 0.363 nan 8.370 nan 0.000 0.497 251 S N 2.284 118.002 115.700 0.031 0.000 2.550 251 S HA 0.285 4.754 4.470 -0.001 0.000 0.274 251 S C -2.274 172.334 174.600 0.012 0.000 1.110 251 S CA -1.018 57.190 58.200 0.013 0.000 1.013 251 S CB 1.277 64.478 63.200 0.002 0.000 1.152 251 S HN 0.002 nan 8.310 nan 0.000 0.450 252 P HA -0.085 nan 4.420 nan 0.000 0.215 252 P C 1.693 178.991 177.300 -0.004 0.000 1.153 252 P CA 1.129 64.224 63.100 -0.008 0.000 0.853 252 P CB 0.095 31.783 31.700 -0.021 0.000 0.788 253 M N -0.981 118.622 119.600 0.006 0.000 2.066 253 M HA -0.153 4.327 4.480 -0.001 0.000 0.259 253 M C 2.192 178.491 176.300 -0.001 0.000 1.074 253 M CA 2.178 57.485 55.300 0.011 0.000 1.114 253 M CB -1.122 31.497 32.600 0.030 0.000 1.306 253 M HN -0.113 nan 8.290 nan 0.000 0.411 254 A N 0.386 123.205 122.820 -0.002 0.000 2.054 254 A HA -0.173 4.146 4.320 -0.001 0.000 0.223 254 A C 2.187 179.738 177.584 -0.055 0.000 1.169 254 A CA 2.167 54.185 52.037 -0.030 0.000 0.655 254 A CB -1.533 17.459 19.000 -0.014 0.000 0.812 254 A HN 0.661 nan 8.150 nan 0.000 0.462 255 G N -0.830 107.955 108.800 -0.025 0.000 2.404 255 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.214 255 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.214 255 G C 1.716 176.602 174.900 -0.023 0.000 1.189 255 G CA 0.716 45.803 45.100 -0.020 0.000 0.789 255 G HN 0.581 nan 8.290 nan 0.000 0.533 256 R N -0.092 120.400 120.500 -0.014 0.000 2.096 256 R HA -0.074 4.265 4.340 -0.001 0.000 0.240 256 R C 2.608 178.902 176.300 -0.009 0.000 1.139 256 R CA 1.371 57.469 56.100 -0.003 0.000 0.952 256 R CB -0.785 29.518 30.300 0.004 0.000 0.854 256 R HN 0.281 nan 8.270 nan 0.000 0.436 257 V N 1.375 121.266 119.914 -0.038 0.000 2.343 257 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 257 V C 2.191 178.175 176.094 -0.182 0.000 1.051 257 V CA 1.425 63.682 62.300 -0.071 0.000 1.036 257 V CB -0.426 31.330 31.823 -0.111 0.000 0.654 257 V HN 0.221 nan 8.190 nan 0.000 0.451 258 L N 0.097 121.185 121.223 -0.224 0.000 2.093 258 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 258 L C 2.456 179.308 176.870 -0.030 0.000 1.085 258 L CA 1.972 56.662 54.840 -0.250 0.000 0.755 258 L CB -0.651 41.316 42.059 -0.153 0.000 0.904 258 L HN 0.285 nan 8.230 nan 0.000 0.435 259 S N -0.748 114.959 115.700 0.011 0.000 2.423 259 S HA -0.103 4.366 4.470 -0.001 0.000 0.231 259 S C 1.732 176.395 174.600 0.105 0.000 1.014 259 S CA 1.156 59.394 58.200 0.064 0.000 0.965 259 S CB -0.304 62.922 63.200 0.044 0.000 0.785 259 S HN 0.388 nan 8.310 nan 0.000 0.495 260 L N 0.352 121.645 121.223 0.115 0.000 2.209 260 L HA 0.206 4.546 4.340 -0.001 0.000 0.207 260 L C 1.694 178.727 176.870 0.273 0.000 1.094 260 L CA 1.288 56.222 54.840 0.157 0.000 0.790 260 L CB -0.682 41.456 42.059 0.131 0.000 0.932 260 L HN 0.307 nan 8.230 nan 0.000 0.447 261 Y N 0.293 120.646 120.300 0.088 0.000 2.181 261 Y HA -0.286 4.263 4.550 -0.001 0.000 0.284 261 Y C -0.257 175.782 175.900 0.232 0.000 1.179 261 Y CA 1.307 59.521 58.100 0.191 0.000 1.179 261 Y CB -1.352 37.167 38.460 0.098 0.000 0.973 261 Y HN 0.307 nan 8.280 nan 0.000 0.519 262 P HA -0.161 nan 4.420 nan 0.000 0.218 262 P C 0.823 178.115 177.300 -0.013 0.000 1.148 262 P CA 1.642 64.829 63.100 0.145 0.000 0.822 262 P CB -0.031 31.802 31.700 0.221 0.000 0.784 263 R N -1.047 119.488 120.500 0.059 0.000 2.328 263 R HA 0.096 4.435 4.340 -0.001 0.000 0.200 263 R C 0.108 176.423 176.300 0.026 0.000 0.983 263 R CA 0.435 56.551 56.100 0.027 0.000 1.062 263 R CB -0.203 30.126 30.300 0.048 0.000 0.956 263 R HN 0.190 nan 8.270 nan 0.000 0.479 264 L N -0.628 120.613 121.223 0.030 0.000 3.289 264 L HA 0.113 4.452 4.340 -0.001 0.000 0.291 264 L C 1.272 178.140 176.870 -0.004 0.000 1.279 264 L CA 0.182 55.060 54.840 0.064 0.000 1.025 264 L CB 0.880 42.913 42.059 -0.043 0.000 1.413 264 L HN -0.179 nan 8.230 nan 0.000 0.593 265 V N 0.528 120.370 119.914 -0.119 0.000 2.250 265 V HA -0.375 3.744 4.120 -0.001 0.000 0.250 265 V C 2.577 178.659 176.094 -0.020 0.000 1.060 265 V CA 2.594 64.796 62.300 -0.164 0.000 1.030 265 V CB -0.763 30.817 31.823 -0.406 0.000 0.643 265 V HN 0.660 nan 8.190 nan 0.000 0.445 266 R N -0.365 120.033 120.500 -0.171 0.000 2.170 266 R HA -0.212 4.128 4.340 -0.001 0.000 0.242 266 R C 1.895 178.000 176.300 -0.325 0.000 1.145 266 R CA 2.136 58.077 56.100 -0.265 0.000 0.984 266 R CB -0.825 29.224 30.300 -0.418 0.000 0.869 266 R HN 0.528 nan 8.270 nan 0.000 0.455 267 Y N -0.099 120.045 120.300 -0.260 0.000 2.502 267 Y HA 0.220 4.769 4.550 -0.001 0.000 0.295 267 Y C 0.223 175.777 175.900 -0.577 0.000 1.193 267 Y CA -0.322 57.538 58.100 -0.400 0.000 1.295 267 Y CB -0.017 38.115 38.460 -0.546 0.000 1.059 267 Y HN -0.100 nan 8.280 nan 0.000 0.514 268 F N -1.262 118.692 119.950 0.007 0.000 2.544 268 F HA 0.424 4.951 4.527 -0.001 0.000 0.378 268 F C 0.957 176.737 175.800 -0.034 0.000 1.112 268 F CA -1.502 56.487 58.000 -0.018 0.000 1.115 268 F CB 0.083 39.096 39.000 0.022 0.000 1.436 268 F HN -0.294 nan 8.300 nan 0.000 0.496 269 S N -0.194 115.631 115.700 0.209 0.000 2.645 269 S HA 0.192 4.661 4.470 -0.001 0.000 0.266 269 S C 0.756 175.400 174.600 0.074 0.000 1.258 269 S CA -0.619 57.626 58.200 0.075 0.000 0.990 269 S CB 0.927 64.142 63.200 0.024 0.000 0.967 269 S HN 0.520 nan 8.310 nan 0.000 0.556 270 E N 1.014 121.242 120.200 0.045 0.000 2.058 270 E HA -0.198 4.151 4.350 -0.001 0.000 0.194 270 E C 1.865 178.505 176.600 0.066 0.000 0.997 270 E CA 1.568 58.000 56.400 0.054 0.000 0.801 270 E CB -0.675 29.048 29.700 0.039 0.000 0.746 270 E HN 0.919 nan 8.360 nan 0.000 0.450 271 E N 0.812 121.043 120.200 0.052 0.000 2.048 271 E HA -0.193 4.157 4.350 -0.001 0.000 0.202 271 E C 2.158 178.753 176.600 -0.008 0.000 1.021 271 E CA 1.874 58.314 56.400 0.065 0.000 0.825 271 E CB 0.071 29.812 29.700 0.069 0.000 0.756 271 E HN 0.033 nan 8.360 nan 0.000 0.454 272 V N 0.959 120.800 119.914 -0.122 0.000 2.407 272 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 272 V C 2.324 178.392 176.094 -0.043 0.000 1.055 272 V CA 2.120 64.224 62.300 -0.326 0.000 1.049 272 V CB -0.542 31.030 31.823 -0.418 0.000 0.662 272 V HN 0.342 nan 8.190 nan 0.000 0.455 273 Q N -0.633 119.264 119.800 0.161 0.000 2.436 273 Q HA 0.013 4.352 4.340 -0.001 0.000 0.209 273 Q C 2.309 178.451 176.000 0.237 0.000 0.965 273 Q CA 0.983 56.964 55.803 0.295 0.000 0.910 273 Q CB -0.216 28.638 28.738 0.194 0.000 0.980 273 Q HN 0.706 nan 8.270 nan 0.000 0.491 274 A N 0.665 123.600 122.820 0.190 0.000 1.873 274 A HA -0.197 4.122 4.320 -0.001 0.000 0.215 274 A C 1.547 179.283 177.584 0.252 0.000 1.186 274 A CA 1.276 53.441 52.037 0.215 0.000 0.616 274 A CB -0.720 18.427 19.000 0.246 0.000 0.823 274 A HN 0.450 nan 8.150 nan 0.000 0.442 275 H N -2.509 116.551 119.070 -0.016 0.000 2.389 275 H HA -0.085 4.471 4.556 -0.001 0.000 0.299 275 H C 1.753 177.015 175.328 -0.110 0.000 1.081 275 H CA 1.225 57.213 56.048 -0.100 0.000 1.345 275 H CB -0.191 29.440 29.762 -0.218 0.000 1.393 275 H HN 0.524 nan 8.280 nan 0.000 0.520 276 F N 0.525 120.546 119.950 0.118 0.000 2.365 276 F HA -0.106 4.421 4.527 -0.001 0.000 0.300 276 F C 2.255 178.095 175.800 0.067 0.000 1.090 276 F CA 0.376 58.417 58.000 0.070 0.000 1.408 276 F CB -0.209 38.824 39.000 0.055 0.000 1.060 276 F HN 0.080 nan 8.300 nan 0.000 0.534 277 L N -0.083 121.283 121.223 0.238 0.000 2.044 277 L HA -0.145 4.194 4.340 -0.001 0.000 0.205 277 L C 2.265 179.199 176.870 0.107 0.000 1.075 277 L CA 1.696 56.626 54.840 0.150 0.000 0.747 277 L CB -0.662 41.470 42.059 0.122 0.000 0.903 277 L HN -0.002 nan 8.230 nan 0.000 0.435 278 Q N 0.145 119.998 119.800 0.089 0.000 2.369 278 Q HA 0.137 4.477 4.340 -0.001 0.000 0.206 278 Q C 1.508 177.542 176.000 0.056 0.000 0.963 278 Q CA 0.883 56.716 55.803 0.050 0.000 0.894 278 Q CB -0.309 28.435 28.738 0.011 0.000 0.965 278 Q HN 0.651 nan 8.270 nan 0.000 0.475 279 G N 1.023 109.875 108.800 0.087 0.000 2.130 279 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.216 279 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.216 279 G C -0.283 174.653 174.900 0.059 0.000 0.999 279 G CA -0.221 44.934 45.100 0.092 0.000 0.686 279 G HN 0.088 nan 8.290 nan 0.000 0.515 280 K N 0.828 121.237 120.400 0.015 0.000 2.483 280 K HA 0.268 4.587 4.320 -0.001 0.000 0.256 280 K C -0.341 176.127 176.600 -0.220 0.000 0.961 280 K CA -0.999 55.270 56.287 -0.030 0.000 0.873 280 K CB 1.274 33.799 32.500 0.041 0.000 1.107 280 K HN 0.174 nan 8.250 nan 0.000 0.432 281 N N 5.469 124.020 118.700 -0.248 0.000 2.412 281 N HA -0.009 4.730 4.740 -0.001 0.000 0.279 281 N C -1.551 173.522 175.510 -0.728 0.000 1.287 281 N CA -1.082 51.711 53.050 -0.427 0.000 0.948 281 N CB 0.722 39.151 38.487 -0.097 0.000 1.255 281 N HN 0.280 nan 8.380 nan 0.000 0.485 282 P HA -0.008 nan 4.420 nan 0.000 0.247 282 P C -0.097 176.717 177.300 -0.809 0.000 1.225 282 P CA 0.402 62.805 63.100 -1.161 0.000 0.768 282 P CB -0.175 31.227 31.700 -0.497 0.000 1.020 283 F N 0.841 120.603 119.950 -0.313 0.000 2.750 283 F HA 0.313 4.839 4.527 -0.001 0.000 0.297 283 F C 0.941 176.691 175.800 -0.082 0.000 1.138 283 F CA -0.320 57.643 58.000 -0.063 0.000 1.346 283 F CB 0.303 39.322 39.000 0.032 0.000 0.965 283 F HN -0.211 nan 8.300 nan 0.000 0.514 284 R N 0.929 121.387 120.500 -0.069 0.000 2.855 284 R HA 0.227 4.566 4.340 -0.001 0.000 0.261 284 R C -2.806 173.532 176.300 0.063 0.000 1.826 284 R CA -1.377 54.727 56.100 0.006 0.000 1.435 284 R CB 0.939 31.233 30.300 -0.009 0.000 1.383 284 R HN -0.071 nan 8.270 nan 0.000 0.583 285 P HA -0.033 nan 4.420 nan 0.000 0.281 285 P C -0.087 177.307 177.300 0.157 0.000 1.274 285 P CA -0.273 62.990 63.100 0.271 0.000 0.794 285 P CB 0.548 32.357 31.700 0.181 0.000 1.201 286 A N -0.993 121.886 122.820 0.099 0.000 2.477 286 A HA 0.422 4.742 4.320 -0.001 0.000 0.246 286 A C 1.379 178.970 177.584 0.011 0.000 1.078 286 A CA 0.445 52.509 52.037 0.044 0.000 0.770 286 A CB -1.548 17.458 19.000 0.010 0.000 1.011 286 A HN 0.875 nan 8.150 nan 0.000 0.494 287 G N 0.781 109.576 108.800 -0.007 0.000 2.283 287 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.280 287 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.280 287 G C 0.095 174.933 174.900 -0.103 0.000 1.029 287 G CA 0.544 45.613 45.100 -0.052 0.000 0.840 287 G HN 1.610 nan 8.290 nan 0.000 0.505 288 L N -0.419 120.767 121.223 -0.062 0.000 2.467 288 L HA 0.760 5.099 4.340 -0.001 0.000 0.270 288 L C 0.131 176.916 176.870 -0.141 0.000 1.205 288 L CA -0.237 54.555 54.840 -0.079 0.000 0.828 288 L CB 1.235 43.291 42.059 -0.005 0.000 1.101 288 L HN 0.274 nan 8.230 nan 0.000 0.479 289 E N 2.459 122.545 120.200 -0.189 0.000 2.274 289 E HA 0.406 4.755 4.350 -0.001 0.000 0.269 289 E C -1.728 174.864 176.600 -0.013 0.000 0.891 289 E CA -0.501 55.794 56.400 -0.176 0.000 0.784 289 E CB 1.540 30.942 29.700 -0.497 0.000 1.225 289 E HN 0.393 nan 8.360 nan 0.000 0.412 290 V N 4.950 124.884 119.914 0.034 0.000 2.368 290 V HA 0.237 4.356 4.120 -0.001 0.000 0.266 290 V C -0.126 176.035 176.094 0.111 0.000 1.045 290 V CA -0.733 61.608 62.300 0.068 0.000 0.899 290 V CB 1.109 32.958 31.823 0.045 0.000 1.006 290 V HN 0.547 nan 8.190 nan 0.000 0.470 291 V N 6.226 126.229 119.914 0.148 0.000 2.372 291 V HA 0.216 4.335 4.120 -0.001 0.000 0.261 291 V C 0.922 177.081 176.094 0.108 0.000 1.055 291 V CA -0.156 62.244 62.300 0.167 0.000 0.930 291 V CB 0.558 32.500 31.823 0.198 0.000 1.031 291 V HN 0.872 nan 8.190 nan 0.000 0.479 292 E N 3.235 123.497 120.200 0.104 0.000 2.081 292 E HA 0.082 4.431 4.350 -0.001 0.000 0.213 292 E C 0.334 176.916 176.600 -0.030 0.000 0.921 292 E CA 0.390 56.774 56.400 -0.026 0.000 0.936 292 E CB -0.232 29.362 29.700 -0.177 0.000 0.981 292 E HN 0.820 nan 8.360 nan 0.000 0.502 293 H N 0.750 119.847 119.070 0.046 0.000 2.913 293 H HA 0.043 4.599 4.556 -0.001 0.000 0.365 293 H C 1.117 176.470 175.328 0.041 0.000 1.155 293 H CA 0.772 56.843 56.048 0.038 0.000 1.417 293 H CB 0.016 29.796 29.762 0.029 0.000 1.386 293 H HN 0.053 nan 8.280 nan 0.000 0.614 294 T N 0.728 115.373 114.554 0.152 0.000 3.098 294 T HA -0.131 4.218 4.350 -0.001 0.000 0.266 294 T C 1.637 176.378 174.700 0.068 0.000 1.145 294 T CA 1.056 63.212 62.100 0.092 0.000 1.092 294 T CB -0.056 68.842 68.868 0.050 0.000 0.908 294 T HN 0.556 nan 8.240 nan 0.000 0.526 295 E N 2.738 122.992 120.200 0.090 0.000 1.995 295 E HA -0.117 4.233 4.350 -0.001 0.000 0.207 295 E C 2.218 178.832 176.600 0.022 0.000 1.016 295 E CA 1.713 58.133 56.400 0.033 0.000 0.865 295 E CB -0.736 28.963 29.700 -0.002 0.000 0.797 295 E HN 0.359 nan 8.360 nan 0.000 0.491 296 A N -0.096 122.750 122.820 0.045 0.000 2.216 296 A HA -0.085 4.235 4.320 -0.001 0.000 0.214 296 A C 2.214 179.811 177.584 0.023 0.000 1.160 296 A CA 1.572 53.630 52.037 0.034 0.000 0.725 296 A CB -0.832 18.216 19.000 0.080 0.000 0.784 296 A HN 0.298 nan 8.150 nan 0.000 0.472 297 S N -0.616 115.116 115.700 0.055 0.000 2.402 297 S HA -0.112 4.358 4.470 -0.001 0.000 0.229 297 S C 1.973 176.575 174.600 0.004 0.000 1.021 297 S CA 1.396 59.644 58.200 0.080 0.000 0.974 297 S CB -0.155 63.118 63.200 0.122 0.000 0.800 297 S HN 0.502 nan 8.310 nan 0.000 0.484 298 K N 1.040 121.418 120.400 -0.037 0.000 2.211 298 K HA 0.308 4.627 4.320 -0.001 0.000 0.201 298 K C 2.119 178.648 176.600 -0.118 0.000 1.052 298 K CA 0.871 57.103 56.287 -0.091 0.000 0.973 298 K CB -0.780 31.667 32.500 -0.090 0.000 0.766 298 K HN 0.376 nan 8.250 nan 0.000 0.466 299 A N 1.226 123.991 122.820 -0.092 0.000 2.186 299 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 299 A C 2.024 179.520 177.584 -0.146 0.000 1.159 299 A CA 0.999 52.977 52.037 -0.098 0.000 0.680 299 A CB -0.539 18.425 19.000 -0.060 0.000 0.787 299 A HN 0.160 nan 8.150 nan 0.000 0.467 300 L N -0.905 120.202 121.223 -0.194 0.000 2.202 300 L HA -0.045 4.295 4.340 -0.001 0.000 0.205 300 L C 1.775 178.504 176.870 -0.234 0.000 1.083 300 L CA 0.434 55.111 54.840 -0.272 0.000 0.790 300 L CB -0.504 41.364 42.059 -0.318 0.000 0.942 300 L HN 0.322 nan 8.230 nan 0.000 0.452 301 N N 0.800 119.356 118.700 -0.239 0.000 2.430 301 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 301 N C 1.762 177.165 175.510 -0.177 0.000 1.032 301 N CA 1.134 54.065 53.050 -0.199 0.000 0.893 301 N CB -0.004 38.378 38.487 -0.174 0.000 0.957 301 N HN 0.400 nan 8.380 nan 0.000 0.442 302 R N 0.699 121.099 120.500 -0.166 0.000 2.121 302 R HA 0.296 4.635 4.340 -0.001 0.000 0.206 302 R C 0.658 176.900 176.300 -0.097 0.000 1.094 302 R CA 0.252 56.272 56.100 -0.132 0.000 1.055 302 R CB -0.301 29.924 30.300 -0.125 0.000 0.964 302 R HN 0.001 nan 8.270 nan 0.000 0.473 303 A N 4.565 127.325 122.820 -0.100 0.000 2.573 303 A HA 0.086 4.406 4.320 -0.001 0.000 0.250 303 A C -2.030 175.519 177.584 -0.058 0.000 1.049 303 A CA -0.698 51.295 52.037 -0.073 0.000 0.767 303 A CB -0.558 18.389 19.000 -0.089 0.000 0.965 303 A HN 0.092 nan 8.150 nan 0.000 0.514 304 P HA 0.190 nan 4.420 nan 0.000 0.272 304 P C 0.713 178.011 177.300 -0.003 0.000 1.223 304 P CA 0.276 63.364 63.100 -0.020 0.000 0.784 304 P CB 0.785 32.477 31.700 -0.014 0.000 0.923 305 G N 2.292 111.093 108.800 0.002 0.000 2.570 305 G HA2 0.302 4.261 3.960 -0.001 0.000 0.276 305 G HA3 0.302 4.261 3.960 -0.001 0.000 0.276 305 G C -2.147 172.766 174.900 0.022 0.000 1.346 305 G CA -0.960 44.151 45.100 0.018 0.000 1.034 305 G HN 0.464 nan 8.290 nan 0.000 0.512 306 P HA 0.301 nan 4.420 nan 0.000 0.287 306 P C -0.674 176.662 177.300 0.059 0.000 1.281 306 P CA 0.136 63.255 63.100 0.032 0.000 0.781 306 P CB 1.015 32.726 31.700 0.019 0.000 0.903 307 M N 1.758 121.403 119.600 0.074 0.000 2.433 307 M HA 0.551 5.030 4.480 -0.001 0.000 0.290 307 M C -1.646 174.731 176.300 0.130 0.000 1.173 307 M CA -1.094 54.287 55.300 0.135 0.000 0.905 307 M CB 2.254 34.961 32.600 0.178 0.000 1.692 307 M HN -0.153 nan 8.290 nan 0.000 0.462 308 V N 3.287 123.297 119.914 0.160 0.000 2.347 308 V HA 0.547 4.667 4.120 -0.001 0.000 0.280 308 V C -0.486 175.726 176.094 0.196 0.000 1.021 308 V CA -0.591 61.791 62.300 0.138 0.000 0.847 308 V CB 1.399 33.284 31.823 0.102 0.000 0.990 308 V HN 0.742 nan 8.190 nan 0.000 0.444 309 V N 6.975 126.988 119.914 0.166 0.000 2.417 309 V HA 0.511 4.631 4.120 -0.001 0.000 0.291 309 V C -0.241 175.905 176.094 0.087 0.000 1.024 309 V CA -0.530 61.873 62.300 0.173 0.000 0.861 309 V CB 1.806 33.748 31.823 0.198 0.000 0.985 309 V HN 0.638 nan 8.190 nan 0.000 0.436 310 L N 4.796 126.065 121.223 0.076 0.000 2.325 310 L HA 0.941 5.281 4.340 -0.001 0.000 0.281 310 L C 0.035 176.886 176.870 -0.031 0.000 1.004 310 L CA -0.211 54.646 54.840 0.028 0.000 0.823 310 L CB 1.579 43.679 42.059 0.067 0.000 1.236 310 L HN 0.812 nan 8.230 nan 0.000 0.415 311 A N 2.234 124.996 122.820 -0.097 0.000 2.586 311 A HA 0.894 5.213 4.320 -0.001 0.000 0.290 311 A C -0.721 176.777 177.584 -0.145 0.000 1.086 311 A CA -0.049 51.905 52.037 -0.138 0.000 0.665 311 A CB 1.456 20.293 19.000 -0.273 0.000 1.279 311 A HN 0.690 nan 8.150 nan 0.000 0.423 312 G N -0.631 108.091 108.800 -0.130 0.000 3.175 312 G HA2 0.597 4.556 3.960 -0.001 0.000 0.255 312 G HA3 0.597 4.556 3.960 -0.001 0.000 0.255 312 G C 0.205 175.030 174.900 -0.126 0.000 1.352 312 G CA 0.299 45.309 45.100 -0.151 0.000 1.037 312 G HN 1.476 nan 8.290 nan 0.000 0.556 313 S N -1.486 114.141 115.700 -0.121 0.000 2.560 313 S HA 0.296 4.766 4.470 -0.001 0.000 0.276 313 S C 1.734 176.162 174.600 -0.287 0.000 1.350 313 S CA 0.567 58.664 58.200 -0.172 0.000 1.024 313 S CB 0.605 63.735 63.200 -0.117 0.000 0.864 313 S HN 1.088 nan 8.310 nan 0.000 0.536 314 G N 2.603 111.052 108.800 -0.585 0.000 2.712 314 G HA2 0.000 3.960 3.960 -0.001 0.000 0.212 314 G HA3 0.000 3.960 3.960 -0.001 0.000 0.212 314 G C 1.094 175.660 174.900 -0.557 0.000 1.142 314 G CA 0.146 44.731 45.100 -0.858 0.000 0.789 314 G HN 0.628 nan 8.290 nan 0.000 0.535 315 M N -0.361 119.025 119.600 -0.356 0.000 2.465 315 M HA 0.384 4.863 4.480 -0.001 0.000 0.249 315 M C 0.815 177.074 176.300 -0.069 0.000 1.130 315 M CA 0.158 55.394 55.300 -0.106 0.000 1.067 315 M CB -0.221 32.387 32.600 0.014 0.000 1.394 315 M HN 0.152 nan 8.290 nan 0.000 0.483 316 L N -0.072 121.099 121.223 -0.087 0.000 3.610 316 L HA -0.211 4.128 4.340 -0.001 0.000 0.425 316 L C 0.563 177.406 176.870 -0.044 0.000 1.254 316 L CA 0.148 54.959 54.840 -0.049 0.000 0.874 316 L CB -1.982 40.083 42.059 0.010 0.000 1.932 316 L HN 0.334 nan 8.230 nan 0.000 0.790 317 A N -0.403 122.389 122.820 -0.047 0.000 2.507 317 A HA 0.689 5.008 4.320 -0.001 0.000 0.270 317 A C 1.167 178.731 177.584 -0.033 0.000 1.318 317 A CA 0.966 52.988 52.037 -0.026 0.000 0.924 317 A CB 0.228 19.227 19.000 -0.002 0.000 1.061 317 A HN 1.180 nan 8.150 nan 0.000 0.516 318 G N -2.117 106.648 108.800 -0.058 0.000 2.247 318 G HA2 0.480 4.439 3.960 -0.001 0.000 0.229 318 G HA3 0.480 4.439 3.960 -0.001 0.000 0.229 318 G C 0.721 175.569 174.900 -0.087 0.000 1.345 318 G CA 0.363 45.422 45.100 -0.069 0.000 1.100 318 G HN 2.188 nan 8.290 nan 0.000 0.473 319 G N -0.580 108.185 108.800 -0.058 0.000 2.512 319 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.254 319 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.254 319 G C 0.700 175.570 174.900 -0.050 0.000 1.199 319 G CA 1.199 46.276 45.100 -0.038 0.000 0.941 319 G HN 1.407 nan 8.290 nan 0.000 0.569 320 R N -0.816 119.671 120.500 -0.022 0.000 2.373 320 R HA 0.331 4.671 4.340 -0.001 0.000 0.221 320 R C 2.355 178.639 176.300 -0.026 0.000 0.893 320 R CA 0.414 56.566 56.100 0.086 0.000 1.049 320 R CB 0.132 30.529 30.300 0.161 0.000 1.119 320 R HN 0.380 nan 8.270 nan 0.000 0.535 321 I N 1.373 121.854 120.570 -0.149 0.000 2.850 321 I HA -0.165 4.004 4.170 -0.001 0.000 0.266 321 I C 1.383 177.452 176.117 -0.080 0.000 1.257 321 I CA 1.329 62.528 61.300 -0.168 0.000 1.465 321 I CB 0.077 37.988 38.000 -0.148 0.000 1.091 321 I HN 0.131 nan 8.210 nan 0.000 0.467 322 L N -1.114 120.020 121.223 -0.149 0.000 2.202 322 L HA -0.049 4.290 4.340 -0.001 0.000 0.205 322 L C 2.056 178.832 176.870 -0.156 0.000 1.083 322 L CA 0.405 55.130 54.840 -0.193 0.000 0.790 322 L CB -0.904 40.972 42.059 -0.304 0.000 0.942 322 L HN 0.253 nan 8.230 nan 0.000 0.452 323 H N -1.029 118.092 119.070 0.085 0.000 2.567 323 H HA -0.053 4.503 4.556 -0.001 0.000 0.276 323 H C 1.313 176.657 175.328 0.027 0.000 1.016 323 H CA 0.896 56.975 56.048 0.052 0.000 1.186 323 H CB -0.019 29.823 29.762 0.134 0.000 1.351 323 H HN 0.452 nan 8.280 nan 0.000 0.605 324 H N -1.211 117.862 119.070 0.005 0.000 2.750 324 H HA 0.132 4.688 4.556 -0.001 0.000 0.263 324 H C 1.180 176.470 175.328 -0.063 0.000 0.964 324 H CA 0.037 56.085 56.048 -0.000 0.000 1.205 324 H CB 0.639 30.402 29.762 0.002 0.000 1.454 324 H HN 0.038 nan 8.280 nan 0.000 0.503 325 L N 0.363 121.592 121.223 0.010 0.000 2.685 325 L HA 0.203 4.543 4.340 -0.001 0.000 0.233 325 L C 1.616 178.415 176.870 -0.118 0.000 1.173 325 L CA 0.690 55.498 54.840 -0.054 0.000 0.961 325 L CB 0.221 42.246 42.059 -0.057 0.000 1.217 325 L HN 0.114 nan 8.230 nan 0.000 0.478 326 K N -1.612 118.649 120.400 -0.231 0.000 2.464 326 K HA 0.151 4.471 4.320 -0.001 0.000 0.206 326 K C 0.064 176.404 176.600 -0.433 0.000 1.186 326 K CA 0.108 56.171 56.287 -0.375 0.000 0.990 326 K CB 0.555 32.735 32.500 -0.533 0.000 1.003 326 K HN 0.246 nan 8.250 nan 0.000 0.562 327 H N -0.911 118.149 119.070 -0.017 0.000 2.674 327 H HA 0.346 4.901 4.556 -0.001 0.000 0.235 327 H C 0.298 175.601 175.328 -0.042 0.000 1.330 327 H CA 0.231 56.256 56.048 -0.038 0.000 1.052 327 H CB 1.421 31.143 29.762 -0.066 0.000 1.954 327 H HN 0.371 nan 8.280 nan 0.000 0.566 328 G N -0.010 108.811 108.800 0.035 0.000 3.858 328 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.164 328 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.164 328 G C 0.878 175.771 174.900 -0.011 0.000 1.116 328 G CA -0.199 44.909 45.100 0.013 0.000 0.830 328 G HN 0.129 nan 8.290 nan 0.000 0.666 329 L N 2.313 123.522 121.223 -0.023 0.000 2.162 329 L HA 0.117 4.457 4.340 -0.001 0.000 0.205 329 L C 3.030 179.884 176.870 -0.026 0.000 1.086 329 L CA 2.211 57.029 54.840 -0.036 0.000 0.778 329 L CB -0.644 41.387 42.059 -0.047 0.000 0.928 329 L HN 0.313 nan 8.230 nan 0.000 0.446 330 S N -1.194 114.498 115.700 -0.014 0.000 2.387 330 S HA -0.205 4.265 4.470 -0.001 0.000 0.230 330 S C 1.053 175.647 174.600 -0.010 0.000 1.035 330 S CA 0.958 59.153 58.200 -0.009 0.000 1.014 330 S CB -0.663 62.538 63.200 0.003 0.000 0.836 330 S HN 0.445 nan 8.310 nan 0.000 0.466 331 D N 3.293 123.688 120.400 -0.009 0.000 2.317 331 D HA 0.242 4.881 4.640 -0.001 0.000 0.252 331 D C -1.876 174.414 176.300 -0.017 0.000 1.174 331 D CA -2.418 51.576 54.000 -0.010 0.000 0.866 331 D CB 1.525 42.321 40.800 -0.006 0.000 1.127 331 D HN 0.127 nan 8.370 nan 0.000 0.467 332 P HA 0.094 nan 4.420 nan 0.000 0.255 332 P C 0.454 177.744 177.300 -0.016 0.000 1.357 332 P CA 0.181 63.269 63.100 -0.020 0.000 0.839 332 P CB 0.345 32.036 31.700 -0.016 0.000 1.356 333 R N -0.997 119.494 120.500 -0.014 0.000 2.250 333 R HA 0.137 4.477 4.340 -0.001 0.000 0.194 333 R C 0.434 176.728 176.300 -0.010 0.000 0.927 333 R CA -0.149 55.945 56.100 -0.009 0.000 1.052 333 R CB -0.105 30.191 30.300 -0.006 0.000 1.055 333 R HN 0.202 nan 8.270 nan 0.000 0.537 334 N N 0.984 119.675 118.700 -0.014 0.000 2.381 334 N HA 0.173 4.913 4.740 -0.001 0.000 0.241 334 N C -0.818 174.676 175.510 -0.026 0.000 1.279 334 N CA 0.323 53.364 53.050 -0.015 0.000 0.896 334 N CB 0.701 39.178 38.487 -0.016 0.000 1.118 334 N HN 0.156 nan 8.380 nan 0.000 0.438 335 A N 1.279 124.086 122.820 -0.022 0.000 2.311 335 A HA 0.482 4.801 4.320 -0.001 0.000 0.306 335 A C -0.891 176.658 177.584 -0.058 0.000 1.189 335 A CA -0.640 51.380 52.037 -0.030 0.000 0.791 335 A CB 0.259 19.262 19.000 0.004 0.000 1.172 335 A HN 0.670 nan 8.150 nan 0.000 0.481 336 L N 4.069 125.217 121.223 -0.123 0.000 2.264 336 L HA 0.707 5.046 4.340 -0.001 0.000 0.289 336 L C -1.291 175.425 176.870 -0.257 0.000 1.044 336 L CA -0.524 54.185 54.840 -0.218 0.000 0.807 336 L CB 1.244 43.115 42.059 -0.314 0.000 1.192 336 L HN 0.406 nan 8.230 nan 0.000 0.425 337 V N 5.425 125.204 119.914 -0.225 0.000 2.378 337 V HA 0.352 4.472 4.120 -0.001 0.000 0.288 337 V C -0.541 175.449 176.094 -0.173 0.000 1.016 337 V CA -0.413 61.790 62.300 -0.161 0.000 0.840 337 V CB 1.275 33.083 31.823 -0.026 0.000 0.994 337 V HN 0.467 nan 8.190 nan 0.000 0.431 338 F N 4.618 124.522 119.950 -0.076 0.000 2.390 338 F HA 0.341 4.868 4.527 -0.001 0.000 0.361 338 F C 0.893 176.598 175.800 -0.158 0.000 1.124 338 F CA -0.916 57.033 58.000 -0.084 0.000 1.149 338 F CB 1.671 40.647 39.000 -0.041 0.000 1.160 338 F HN 0.409 nan 8.300 nan 0.000 0.501 339 V N 1.797 121.723 119.914 0.020 0.000 3.189 339 V HA 0.768 4.887 4.120 -0.001 0.000 0.366 339 V C 0.609 176.735 176.094 0.052 0.000 1.313 339 V CA 0.577 62.754 62.300 -0.205 0.000 1.302 339 V CB -0.676 30.949 31.823 -0.330 0.000 1.260 339 V HN 0.795 nan 8.190 nan 0.000 0.484 340 G N -0.139 108.741 108.800 0.134 0.000 2.637 340 G HA2 0.367 4.326 3.960 -0.001 0.000 0.112 340 G HA3 0.367 4.326 3.960 -0.001 0.000 0.112 340 G C -1.744 173.291 174.900 0.226 0.000 1.181 340 G CA -0.210 45.019 45.100 0.215 0.000 1.150 340 G HN 0.331 nan 8.290 nan 0.000 0.561 341 Y N 1.718 122.086 120.300 0.114 0.000 2.409 341 Y HA 0.743 5.292 4.550 -0.001 0.000 0.343 341 Y C -0.910 174.968 175.900 -0.037 0.000 0.973 341 Y CA -0.955 57.179 58.100 0.057 0.000 1.064 341 Y CB 2.093 40.642 38.460 0.148 0.000 1.207 341 Y HN 0.329 nan 8.280 nan 0.000 0.452 342 Q N 7.651 127.109 119.800 -0.571 0.000 2.316 342 Q HA 0.411 4.751 4.340 -0.001 0.000 0.264 342 Q C -2.443 173.187 176.000 -0.616 0.000 0.987 342 Q CA -2.118 53.391 55.803 -0.490 0.000 0.852 342 Q CB 1.855 30.215 28.738 -0.631 0.000 1.287 342 Q HN 0.583 nan 8.270 nan 0.000 0.448 343 P HA -0.004 nan 4.420 nan 0.000 0.275 343 P C -0.468 176.758 177.300 -0.123 0.000 1.270 343 P CA -0.367 62.695 63.100 -0.063 0.000 0.791 343 P CB 0.898 32.644 31.700 0.076 0.000 1.089 344 Q N -0.515 119.254 119.800 -0.051 0.000 2.352 344 Q HA 0.328 4.668 4.340 -0.001 0.000 0.260 344 Q C 0.670 176.646 176.000 -0.040 0.000 0.976 344 Q CA 0.374 56.146 55.803 -0.052 0.000 0.881 344 Q CB -0.209 28.516 28.738 -0.021 0.000 1.235 344 Q HN 0.825 nan 8.270 nan 0.000 0.419 345 G N 2.426 111.201 108.800 -0.042 0.000 2.323 345 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.292 345 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.292 345 G C 0.034 174.915 174.900 -0.032 0.000 1.040 345 G CA 0.173 45.255 45.100 -0.031 0.000 0.942 345 G HN 0.840 nan 8.290 nan 0.000 0.506 346 G N -1.379 107.393 108.800 -0.047 0.000 2.420 346 G HA2 0.661 4.620 3.960 -0.001 0.000 0.331 346 G HA3 0.661 4.620 3.960 -0.001 0.000 0.331 346 G C 0.917 175.800 174.900 -0.028 0.000 1.168 346 G CA -0.136 44.938 45.100 -0.044 0.000 0.936 346 G HN 0.850 nan 8.290 nan 0.000 0.479 347 L N 2.367 123.583 121.223 -0.011 0.000 2.089 347 L HA -0.048 4.292 4.340 -0.001 0.000 0.213 347 L C 2.365 179.265 176.870 0.050 0.000 1.079 347 L CA 3.014 57.859 54.840 0.008 0.000 0.758 347 L CB -0.443 41.618 42.059 0.004 0.000 0.891 347 L HN 0.597 nan 8.230 nan 0.000 0.433 348 G N -2.313 106.532 108.800 0.076 0.000 2.662 348 G HA2 0.100 4.059 3.960 -0.001 0.000 0.212 348 G HA3 0.100 4.059 3.960 -0.001 0.000 0.212 348 G C 1.460 176.398 174.900 0.063 0.000 1.141 348 G CA 0.405 45.653 45.100 0.246 0.000 0.797 348 G HN 0.589 nan 8.290 nan 0.000 0.531 349 A N 0.557 123.332 122.820 -0.076 0.000 2.067 349 A HA 0.161 4.480 4.320 -0.001 0.000 0.217 349 A C 1.929 179.489 177.584 -0.040 0.000 1.156 349 A CA 1.523 53.490 52.037 -0.116 0.000 0.683 349 A CB -0.163 18.749 19.000 -0.146 0.000 0.808 349 A HN 0.417 nan 8.150 nan 0.000 0.455 350 E N -0.220 119.975 120.200 -0.008 0.000 2.371 350 E HA 0.016 4.365 4.350 -0.001 0.000 0.194 350 E C 1.377 177.987 176.600 0.018 0.000 1.012 350 E CA 0.360 56.760 56.400 -0.000 0.000 0.860 350 E CB -0.077 29.622 29.700 -0.002 0.000 0.811 350 E HN 0.693 nan 8.360 nan 0.000 0.502 351 I N 0.645 121.247 120.570 0.052 0.000 3.059 351 I HA -0.106 4.063 4.170 -0.001 0.000 0.270 351 I C 1.881 178.036 176.117 0.064 0.000 1.238 351 I CA 0.238 61.574 61.300 0.060 0.000 1.478 351 I CB 0.029 38.087 38.000 0.097 0.000 1.097 351 I HN 0.152 nan 8.210 nan 0.000 0.455 352 I N 1.332 121.942 120.570 0.066 0.000 2.361 352 I HA -0.234 3.936 4.170 -0.001 0.000 0.251 352 I C 2.519 178.650 176.117 0.024 0.000 1.133 352 I CA 1.243 62.573 61.300 0.049 0.000 1.413 352 I CB -0.323 37.680 38.000 0.005 0.000 1.073 352 I HN 0.182 nan 8.210 nan 0.000 0.424 353 A N 0.264 123.091 122.820 0.012 0.000 2.251 353 A HA 0.048 4.367 4.320 -0.001 0.000 0.209 353 A C 1.159 178.746 177.584 0.005 0.000 1.187 353 A CA -0.149 51.892 52.037 0.007 0.000 0.823 353 A CB -0.139 18.861 19.000 0.001 0.000 0.846 353 A HN 0.391 nan 8.150 nan 0.000 0.486 354 R N -0.476 120.027 120.500 0.005 0.000 3.079 354 R HA -0.109 4.230 4.340 -0.001 0.000 0.254 354 R C -2.432 173.865 176.300 -0.006 0.000 0.900 354 R CA 0.586 56.684 56.100 -0.004 0.000 0.641 354 R CB -2.211 28.084 30.300 -0.008 0.000 1.307 354 R HN 0.474 nan 8.270 nan 0.000 0.477 355 P HA 0.194 nan 4.420 nan 0.000 0.275 355 P C -1.758 175.536 177.300 -0.009 0.000 1.266 355 P CA -1.019 62.078 63.100 -0.006 0.000 0.793 355 P CB 0.559 32.256 31.700 -0.005 0.000 1.074 356 P HA -0.088 nan 4.420 nan 0.000 0.211 356 P C 0.420 177.713 177.300 -0.012 0.000 1.179 356 P CA 1.634 64.728 63.100 -0.010 0.000 0.910 356 P CB -0.067 31.628 31.700 -0.008 0.000 0.785 357 A N -1.450 121.363 122.820 -0.012 0.000 2.569 357 A HA 0.631 4.950 4.320 -0.001 0.000 0.290 357 A C -1.255 176.322 177.584 -0.013 0.000 1.136 357 A CA -0.526 51.503 52.037 -0.014 0.000 0.710 357 A CB 1.786 20.779 19.000 -0.013 0.000 1.303 357 A HN -0.083 nan 8.150 nan 0.000 0.413 358 V N 0.488 120.392 119.914 -0.016 0.000 2.735 358 V HA 0.531 4.650 4.120 -0.001 0.000 0.310 358 V C 0.166 176.250 176.094 -0.018 0.000 1.061 358 V CA -0.753 61.538 62.300 -0.015 0.000 0.913 358 V CB 1.800 33.615 31.823 -0.013 0.000 1.005 358 V HN 0.920 nan 8.190 nan 0.000 0.428 359 R N 4.031 124.522 120.500 -0.016 0.000 2.248 359 R HA 0.507 4.846 4.340 -0.001 0.000 0.337 359 R C -1.205 175.081 176.300 -0.022 0.000 1.085 359 R CA -0.046 56.044 56.100 -0.017 0.000 0.934 359 R CB 0.040 30.332 30.300 -0.013 0.000 1.034 359 R HN 0.707 nan 8.270 nan 0.000 0.465 360 I N 6.607 127.159 120.570 -0.029 0.000 2.411 360 I HA 0.157 4.326 4.170 -0.001 0.000 0.284 360 I C -0.459 175.635 176.117 -0.038 0.000 1.012 360 I CA -0.964 60.311 61.300 -0.041 0.000 1.119 360 I CB 1.673 39.638 38.000 -0.059 0.000 1.261 360 I HN 0.643 nan 8.210 nan 0.000 0.448 361 L N 6.719 127.923 121.223 -0.031 0.000 3.512 361 L HA -0.216 4.123 4.340 -0.001 0.000 0.446 361 L C 1.253 178.121 176.870 -0.003 0.000 1.290 361 L CA 1.214 56.045 54.840 -0.014 0.000 0.871 361 L CB -1.922 40.134 42.059 -0.005 0.000 1.767 361 L HN 1.059 nan 8.230 nan 0.000 0.855 362 G N -1.525 107.271 108.800 -0.007 0.000 2.855 362 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.231 362 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.231 362 G C 0.407 175.304 174.900 -0.004 0.000 1.242 362 G CA 0.574 45.673 45.100 -0.003 0.000 0.789 362 G HN 0.710 nan 8.290 nan 0.000 0.517 363 E N 1.777 121.975 120.200 -0.003 0.000 2.290 363 E HA 0.408 4.757 4.350 -0.001 0.000 0.277 363 E C -0.189 176.404 176.600 -0.012 0.000 1.035 363 E CA -0.195 56.203 56.400 -0.003 0.000 0.873 363 E CB 0.344 30.046 29.700 0.003 0.000 1.029 363 E HN 0.450 nan 8.360 nan 0.000 0.419 364 E N 4.514 124.708 120.200 -0.009 0.000 2.046 364 E HA 0.170 4.519 4.350 -0.001 0.000 0.279 364 E C -0.369 176.224 176.600 -0.013 0.000 0.989 364 E CA -0.722 55.670 56.400 -0.013 0.000 0.798 364 E CB 0.886 30.580 29.700 -0.010 0.000 1.086 364 E HN 0.423 nan 8.360 nan 0.000 0.399 365 V N 2.101 122.003 119.914 -0.020 0.000 3.036 365 V HA 0.583 4.702 4.120 -0.001 0.000 0.308 365 V C -2.389 173.694 176.094 -0.018 0.000 1.070 365 V CA -2.341 59.947 62.300 -0.019 0.000 1.056 365 V CB 0.902 32.705 31.823 -0.033 0.000 1.084 365 V HN 0.580 nan 8.190 nan 0.000 0.471 366 P HA 0.270 nan 4.420 nan 0.000 0.276 366 P C -0.631 176.656 177.300 -0.022 0.000 1.253 366 P CA -0.083 63.008 63.100 -0.015 0.000 0.766 366 P CB 0.495 32.189 31.700 -0.010 0.000 0.845 367 L N 5.312 126.521 121.223 -0.023 0.000 2.466 367 L HA 0.226 4.565 4.340 -0.001 0.000 0.248 367 L C 0.840 177.691 176.870 -0.032 0.000 1.240 367 L CA 0.554 55.376 54.840 -0.031 0.000 1.180 367 L CB -0.762 41.280 42.059 -0.028 0.000 1.413 367 L HN 0.237 nan 8.230 nan 0.000 0.406 368 R N 1.692 122.173 120.500 -0.032 0.000 2.404 368 R HA 0.433 4.772 4.340 -0.001 0.000 0.237 368 R C 0.621 176.897 176.300 -0.040 0.000 0.907 368 R CA 0.200 56.281 56.100 -0.031 0.000 1.063 368 R CB 0.504 30.791 30.300 -0.022 0.000 1.134 368 R HN 0.568 nan 8.270 nan 0.000 0.529 369 A N 1.548 124.337 122.820 -0.050 0.000 2.322 369 A HA 0.370 4.690 4.320 -0.001 0.000 0.269 369 A C 0.388 177.917 177.584 -0.091 0.000 1.094 369 A CA -0.443 51.557 52.037 -0.061 0.000 0.807 369 A CB 0.554 19.516 19.000 -0.063 0.000 1.047 369 A HN 0.271 nan 8.150 nan 0.000 0.487 370 S N 0.007 115.647 115.700 -0.100 0.000 2.592 370 S HA 0.553 5.022 4.470 -0.001 0.000 0.271 370 S C -0.284 174.175 174.600 -0.235 0.000 1.326 370 S CA -0.484 57.618 58.200 -0.163 0.000 1.024 370 S CB 0.907 64.034 63.200 -0.121 0.000 0.921 370 S HN 0.935 nan 8.310 nan 0.000 0.527 371 V N 3.151 122.841 119.914 -0.373 0.000 2.733 371 V HA 0.452 4.571 4.120 -0.001 0.000 0.306 371 V C -1.204 174.603 176.094 -0.479 0.000 1.084 371 V CA -0.628 61.456 62.300 -0.359 0.000 0.905 371 V CB 1.865 33.536 31.823 -0.254 0.000 1.010 371 V HN 0.980 nan 8.190 nan 0.000 0.424 372 H N 1.755 120.791 119.070 -0.056 0.000 3.172 372 H HA 0.328 4.883 4.556 -0.001 0.000 0.322 372 H C -0.485 174.884 175.328 0.068 0.000 1.003 372 H CA -0.471 55.588 56.048 0.018 0.000 1.466 372 H CB 2.036 31.808 29.762 0.015 0.000 1.673 372 H HN 0.550 nan 8.280 nan 0.000 0.512 373 T N 5.272 119.995 114.554 0.281 0.000 2.727 373 T HA 0.233 4.582 4.350 -0.001 0.000 0.295 373 T C 1.051 175.850 174.700 0.165 0.000 0.915 373 T CA -0.353 61.920 62.100 0.288 0.000 1.066 373 T CB -0.013 69.005 68.868 0.250 0.000 0.891 373 T HN 0.297 nan 8.240 nan 0.000 0.516 374 L N 3.573 124.855 121.223 0.099 0.000 2.314 374 L HA 0.374 4.714 4.340 -0.001 0.000 0.275 374 L C 1.514 178.438 176.870 0.090 0.000 1.068 374 L CA -0.717 54.159 54.840 0.060 0.000 0.894 374 L CB 0.626 42.660 42.059 -0.042 0.000 1.275 374 L HN 0.773 nan 8.230 nan 0.000 0.432 375 G N 1.253 110.115 108.800 0.103 0.000 3.186 375 G HA2 0.047 4.006 3.960 -0.001 0.000 0.214 375 G HA3 0.047 4.006 3.960 -0.001 0.000 0.214 375 G C 1.104 175.994 174.900 -0.017 0.000 1.222 375 G CA 0.483 45.629 45.100 0.077 0.000 0.921 375 G HN 0.772 nan 8.290 nan 0.000 0.504 376 G N -0.029 108.828 108.800 0.096 0.000 2.662 376 G HA2 0.085 4.044 3.960 -0.001 0.000 0.212 376 G HA3 0.085 4.044 3.960 -0.001 0.000 0.212 376 G C 0.857 175.822 174.900 0.108 0.000 1.141 376 G CA -0.149 44.994 45.100 0.072 0.000 0.797 376 G HN 0.315 nan 8.290 nan 0.000 0.531 377 F N 1.894 121.799 119.950 -0.075 0.000 2.725 377 F HA 0.347 4.873 4.527 -0.002 0.000 0.303 377 F C 1.601 177.383 175.800 -0.031 0.000 1.167 377 F CA -1.018 56.988 58.000 0.008 0.000 1.403 377 F CB -0.150 38.834 39.000 -0.027 0.000 1.077 377 F HN -0.050 nan 8.300 nan 0.000 0.537 378 S N 0.339 116.012 115.700 -0.045 0.000 2.544 378 S HA 0.179 4.648 4.470 -0.001 0.000 0.290 378 S C 1.606 176.174 174.600 -0.053 0.000 1.276 378 S CA 0.216 58.305 58.200 -0.185 0.000 1.075 378 S CB 0.605 63.248 63.200 -0.927 0.000 0.849 378 S HN 0.498 nan 8.310 nan 0.000 0.494 379 G N 4.135 112.967 108.800 0.053 0.000 2.848 379 G HA2 0.060 4.020 3.960 -0.001 0.000 0.208 379 G HA3 0.060 4.020 3.960 -0.001 0.000 0.208 379 G C 0.577 175.522 174.900 0.075 0.000 1.152 379 G CA 0.105 45.192 45.100 -0.022 0.000 0.789 379 G HN 0.799 nan 8.290 nan 0.000 0.531 380 H N -0.520 118.643 119.070 0.156 0.000 2.595 380 H HA 0.557 5.112 4.556 -0.001 0.000 0.346 380 H C -0.194 175.224 175.328 0.150 0.000 1.181 380 H CA -0.475 55.689 56.048 0.195 0.000 1.242 380 H CB 1.977 31.943 29.762 0.340 0.000 1.652 380 H HN 0.126 nan 8.280 nan 0.000 0.548 381 A N 1.253 124.164 122.820 0.152 0.000 2.363 381 A HA 0.440 4.760 4.320 -0.001 0.000 0.270 381 A C 0.810 178.338 177.584 -0.093 0.000 1.121 381 A CA 0.125 52.172 52.037 0.017 0.000 0.800 381 A CB 0.140 19.096 19.000 -0.074 0.000 1.052 381 A HN 0.753 nan 8.150 nan 0.000 0.493 382 G N -0.161 108.420 108.800 -0.365 0.000 2.616 382 G HA2 0.312 4.271 3.960 -0.001 0.000 0.268 382 G HA3 0.312 4.271 3.960 -0.001 0.000 0.268 382 G C 0.716 175.505 174.900 -0.186 0.000 1.213 382 G CA 0.291 45.035 45.100 -0.593 0.000 0.926 382 G HN 0.934 nan 8.290 nan 0.000 0.523 383 Q N -0.498 119.237 119.800 -0.108 0.000 2.133 383 Q HA -0.240 4.100 4.340 -0.001 0.000 0.208 383 Q C 2.027 178.015 176.000 -0.019 0.000 0.991 383 Q CA 2.514 58.303 55.803 -0.023 0.000 0.867 383 Q CB -0.180 28.560 28.738 0.003 0.000 0.911 383 Q HN 0.746 nan 8.270 nan 0.000 0.417 384 D N 0.215 120.594 120.400 -0.036 0.000 2.077 384 D HA -0.243 4.396 4.640 -0.001 0.000 0.193 384 D C 1.501 177.802 176.300 0.001 0.000 0.989 384 D CA 1.935 55.929 54.000 -0.011 0.000 0.831 384 D CB -0.843 39.951 40.800 -0.011 0.000 0.979 384 D HN 0.504 nan 8.370 nan 0.000 0.449 385 E N -0.164 120.028 120.200 -0.013 0.000 2.160 385 E HA -0.136 4.213 4.350 -0.001 0.000 0.195 385 E C 2.211 178.832 176.600 0.036 0.000 0.991 385 E CA 0.383 56.789 56.400 0.010 0.000 0.810 385 E CB -0.150 29.543 29.700 -0.012 0.000 0.742 385 E HN 0.145 nan 8.360 nan 0.000 0.466 386 L N 0.432 121.660 121.223 0.008 0.000 2.141 386 L HA -0.125 4.215 4.340 -0.001 0.000 0.209 386 L C 2.073 178.991 176.870 0.080 0.000 1.094 386 L CA 1.351 56.208 54.840 0.028 0.000 0.763 386 L CB -0.172 41.891 42.059 0.007 0.000 0.908 386 L HN 0.121 nan 8.230 nan 0.000 0.437 387 L N -1.462 119.795 121.223 0.058 0.000 2.270 387 L HA -0.093 4.246 4.340 -0.001 0.000 0.210 387 L C 1.922 178.829 176.870 0.062 0.000 1.104 387 L CA 0.388 55.261 54.840 0.056 0.000 0.804 387 L CB -0.381 41.698 42.059 0.034 0.000 0.937 387 L HN 0.182 nan 8.230 nan 0.000 0.450 388 D N -0.860 119.582 120.400 0.071 0.000 2.103 388 D HA -0.206 4.433 4.640 -0.001 0.000 0.199 388 D C 1.724 178.072 176.300 0.079 0.000 0.978 388 D CA 0.980 55.015 54.000 0.059 0.000 0.829 388 D CB -0.180 40.654 40.800 0.057 0.000 0.981 388 D HN 0.284 nan 8.370 nan 0.000 0.464 389 W N 1.072 122.327 121.300 -0.075 0.000 2.358 389 W HA -0.094 4.566 4.660 -0.001 0.000 0.303 389 W C 1.579 178.036 176.519 -0.103 0.000 1.208 389 W CA 0.844 58.123 57.345 -0.112 0.000 1.274 389 W CB -0.038 29.335 29.460 -0.146 0.000 1.138 389 W HN -0.094 nan 8.180 nan 0.000 0.515 390 L N 1.119 122.457 121.223 0.192 0.000 2.610 390 L HA 0.000 4.339 4.340 -0.001 0.000 0.232 390 L C 1.197 178.057 176.870 -0.016 0.000 1.149 390 L CA 0.924 55.814 54.840 0.083 0.000 0.872 390 L CB -1.889 40.251 42.059 0.134 0.000 0.992 390 L HN 0.018 nan 8.230 nan 0.000 0.447 391 Q N 0.934 120.711 119.800 -0.037 0.000 2.247 391 Q HA 0.139 4.478 4.340 -0.001 0.000 0.288 391 Q C 1.130 177.086 176.000 -0.073 0.000 1.079 391 Q CA 1.210 56.986 55.803 -0.044 0.000 0.932 391 Q CB 0.541 29.255 28.738 -0.041 0.000 1.133 391 Q HN 0.547 nan 8.270 nan 0.000 0.377 392 G N 4.171 112.942 108.800 -0.048 0.000 2.213 392 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.236 392 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.236 392 G C -0.232 174.638 174.900 -0.048 0.000 0.991 392 G CA 0.069 45.139 45.100 -0.050 0.000 0.629 392 G HN 0.600 nan 8.290 nan 0.000 0.517 393 E N 1.703 121.872 120.200 -0.052 0.000 2.290 393 E HA 0.244 4.593 4.350 -0.001 0.000 0.277 393 E C -0.970 175.620 176.600 -0.015 0.000 1.035 393 E CA -1.074 55.302 56.400 -0.040 0.000 0.873 393 E CB 1.828 31.503 29.700 -0.042 0.000 1.029 393 E HN 0.326 nan 8.360 nan 0.000 0.419 394 P HA -0.130 nan 4.420 nan 0.000 0.213 394 P C -0.010 177.292 177.300 0.004 0.000 1.170 394 P CA 1.143 64.241 63.100 -0.004 0.000 0.893 394 P CB 0.498 32.195 31.700 -0.004 0.000 0.784 395 R N -0.201 120.303 120.500 0.007 0.000 2.338 395 R HA 0.586 4.925 4.340 -0.001 0.000 0.317 395 R C -0.988 175.326 176.300 0.022 0.000 0.968 395 R CA -0.664 55.444 56.100 0.013 0.000 0.849 395 R CB 2.149 32.456 30.300 0.011 0.000 1.128 395 R HN -0.065 nan 8.270 nan 0.000 0.448 396 V N 3.747 123.677 119.914 0.027 0.000 2.577 396 V HA 0.340 4.460 4.120 -0.001 0.000 0.303 396 V C -0.537 175.579 176.094 0.037 0.000 1.042 396 V CA -0.864 61.461 62.300 0.041 0.000 0.872 396 V CB 2.227 34.079 31.823 0.050 0.000 0.998 396 V HN 0.440 nan 8.190 nan 0.000 0.423 397 V N 5.986 125.924 119.914 0.039 0.000 2.459 397 V HA 0.526 4.645 4.120 -0.001 0.000 0.295 397 V C -0.432 175.689 176.094 0.045 0.000 1.029 397 V CA -0.568 61.750 62.300 0.031 0.000 0.874 397 V CB 1.662 33.492 31.823 0.013 0.000 0.985 397 V HN 0.592 nan 8.190 nan 0.000 0.438 398 L N 5.949 127.202 121.223 0.050 0.000 2.343 398 L HA 0.842 5.182 4.340 -0.001 0.000 0.275 398 L C 0.110 177.030 176.870 0.084 0.000 1.056 398 L CA 0.089 54.969 54.840 0.067 0.000 0.804 398 L CB 1.749 43.844 42.059 0.061 0.000 1.203 398 L HN 0.648 nan 8.230 nan 0.000 0.440 399 V N -1.928 118.057 119.914 0.120 0.000 3.130 399 V HA 0.550 4.669 4.120 -0.001 0.000 0.308 399 V C -0.392 175.847 176.094 0.242 0.000 1.413 399 V CA -0.937 61.468 62.300 0.175 0.000 1.053 399 V CB 1.444 33.404 31.823 0.228 0.000 1.075 399 V HN 0.838 nan 8.190 nan 0.000 0.465 400 H N 0.315 119.462 119.070 0.129 0.000 2.794 400 H HA 0.038 4.593 4.556 -0.001 0.000 0.324 400 H C -0.152 175.190 175.328 0.024 0.000 1.037 400 H CA 1.807 57.916 56.048 0.102 0.000 1.062 400 H CB -0.932 28.927 29.762 0.163 0.000 1.622 400 H HN 2.402 nan 8.280 nan 0.000 0.371 401 G N 2.636 111.439 108.800 0.004 0.000 2.347 401 G HA2 0.186 4.146 3.960 -0.001 0.000 0.303 401 G HA3 0.186 4.146 3.960 -0.001 0.000 0.303 401 G C -1.135 173.741 174.900 -0.040 0.000 1.481 401 G CA -0.516 44.562 45.100 -0.036 0.000 0.914 401 G HN 0.314 nan 8.290 nan 0.000 0.638 402 E N 0.048 120.210 120.200 -0.063 0.000 2.392 402 E HA 0.149 4.499 4.350 -0.001 0.000 0.264 402 E C 1.153 177.746 176.600 -0.012 0.000 1.024 402 E CA 0.102 56.481 56.400 -0.036 0.000 0.903 402 E CB 1.685 31.362 29.700 -0.039 0.000 0.963 402 E HN 0.643 nan 8.360 nan 0.000 0.432 403 E N 2.252 122.451 120.200 -0.002 0.000 2.130 403 E HA -0.301 4.049 4.350 -0.001 0.000 0.196 403 E C 1.002 177.607 176.600 0.007 0.000 0.998 403 E CA 1.524 57.929 56.400 0.008 0.000 0.806 403 E CB 0.247 29.952 29.700 0.008 0.000 0.738 403 E HN 0.436 nan 8.360 nan 0.000 0.459 404 E N 0.450 120.651 120.200 0.003 0.000 2.051 404 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 404 E C 1.979 178.583 176.600 0.007 0.000 0.991 404 E CA 1.089 57.493 56.400 0.006 0.000 0.799 404 E CB 0.012 29.716 29.700 0.007 0.000 0.748 404 E HN 0.100 nan 8.360 nan 0.000 0.449 405 K N 0.260 120.659 120.400 -0.002 0.000 2.032 405 K HA -0.130 4.190 4.320 -0.001 0.000 0.209 405 K C 2.062 178.667 176.600 0.010 0.000 1.048 405 K CA 0.901 57.186 56.287 -0.004 0.000 0.927 405 K CB -0.640 31.838 32.500 -0.036 0.000 0.712 405 K HN 0.114 nan 8.250 nan 0.000 0.441 406 L N 1.183 122.414 121.223 0.013 0.000 2.017 406 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 406 L C 2.461 179.346 176.870 0.025 0.000 1.073 406 L CA 1.345 56.200 54.840 0.025 0.000 0.745 406 L CB -1.041 41.038 42.059 0.032 0.000 0.894 406 L HN 0.087 nan 8.230 nan 0.000 0.432 407 L N -1.181 120.054 121.223 0.020 0.000 2.079 407 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 407 L C 2.624 179.506 176.870 0.020 0.000 1.081 407 L CA 1.159 56.010 54.840 0.019 0.000 0.752 407 L CB -0.784 41.285 42.059 0.016 0.000 0.896 407 L HN 0.302 nan 8.230 nan 0.000 0.433 408 A N 0.088 122.921 122.820 0.021 0.000 1.841 408 A HA -0.207 4.113 4.320 -0.001 0.000 0.214 408 A C 2.281 179.880 177.584 0.025 0.000 1.195 408 A CA 1.450 53.501 52.037 0.023 0.000 0.611 408 A CB -0.850 18.165 19.000 0.025 0.000 0.835 408 A HN 0.364 nan 8.150 nan 0.000 0.443 409 L N -0.443 120.796 121.223 0.027 0.000 2.127 409 L HA -0.143 4.197 4.340 -0.001 0.000 0.211 409 L C 2.422 179.310 176.870 0.030 0.000 1.089 409 L CA 1.449 56.308 54.840 0.030 0.000 0.757 409 L CB -0.527 41.553 42.059 0.035 0.000 0.899 409 L HN 0.472 nan 8.230 nan 0.000 0.434 410 G N -0.465 108.352 108.800 0.028 0.000 2.402 410 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.216 410 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.216 410 G C 1.619 176.533 174.900 0.023 0.000 1.162 410 G CA 0.803 45.919 45.100 0.027 0.000 0.777 410 G HN 0.355 nan 8.290 nan 0.000 0.539 411 K N 0.034 120.447 120.400 0.021 0.000 2.147 411 K HA 0.039 4.359 4.320 -0.001 0.000 0.205 411 K C 2.432 179.043 176.600 0.018 0.000 1.049 411 K CA 0.786 57.084 56.287 0.018 0.000 0.936 411 K CB -0.223 32.288 32.500 0.017 0.000 0.722 411 K HN 0.358 nan 8.250 nan 0.000 0.446 412 L N 0.664 121.899 121.223 0.020 0.000 2.109 412 L HA -0.129 4.210 4.340 -0.001 0.000 0.207 412 L C 2.228 179.110 176.870 0.020 0.000 1.086 412 L CA 0.776 55.628 54.840 0.020 0.000 0.760 412 L CB -0.315 41.757 42.059 0.022 0.000 0.910 412 L HN 0.182 nan 8.230 nan 0.000 0.437 413 L N -0.340 120.896 121.223 0.023 0.000 2.291 413 L HA -0.090 4.249 4.340 -0.001 0.000 0.214 413 L C 2.740 179.620 176.870 0.017 0.000 1.120 413 L CA 0.689 55.542 54.840 0.022 0.000 0.799 413 L CB -0.670 41.406 42.059 0.029 0.000 0.925 413 L HN 0.222 nan 8.230 nan 0.000 0.446 414 A N 0.168 122.998 122.820 0.017 0.000 1.970 414 A HA -0.036 4.283 4.320 -0.001 0.000 0.216 414 A C 2.243 179.834 177.584 0.011 0.000 1.170 414 A CA 0.779 52.824 52.037 0.013 0.000 0.645 414 A CB -0.329 18.679 19.000 0.013 0.000 0.816 414 A HN 0.310 nan 8.150 nan 0.000 0.447 415 L N -1.059 120.171 121.223 0.012 0.000 2.017 415 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 415 L C 2.608 179.484 176.870 0.009 0.000 1.073 415 L CA 1.339 56.185 54.840 0.010 0.000 0.745 415 L CB -0.435 41.631 42.059 0.011 0.000 0.894 415 L HN 0.284 nan 8.230 nan 0.000 0.432 416 R N -0.007 120.499 120.500 0.009 0.000 2.341 416 R HA -0.083 4.256 4.340 -0.001 0.000 0.213 416 R C 1.334 177.637 176.300 0.004 0.000 1.082 416 R CA 0.723 56.827 56.100 0.006 0.000 1.017 416 R CB -0.243 30.062 30.300 0.007 0.000 0.860 416 R HN 0.583 nan 8.270 nan 0.000 0.473 417 G N -0.009 108.794 108.800 0.006 0.000 2.175 417 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.244 417 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.244 417 G C -0.212 174.691 174.900 0.005 0.000 0.982 417 G CA -0.206 44.896 45.100 0.004 0.000 0.641 417 G HN 0.378 nan 8.290 nan 0.000 0.527 418 Q N 0.772 120.575 119.800 0.006 0.000 2.288 418 Q HA 0.481 4.820 4.340 -0.001 0.000 0.254 418 Q C 0.179 176.185 176.000 0.010 0.000 0.932 418 Q CA -0.240 55.568 55.803 0.007 0.000 0.902 418 Q CB 1.098 29.842 28.738 0.010 0.000 1.203 418 Q HN 0.565 nan 8.270 nan 0.000 0.415 419 E N 1.050 121.255 120.200 0.009 0.000 2.373 419 E HA 0.298 4.647 4.350 -0.001 0.000 0.267 419 E C -0.915 175.695 176.600 0.015 0.000 1.032 419 E CA -0.134 56.273 56.400 0.011 0.000 0.889 419 E CB 1.335 31.040 29.700 0.009 0.000 0.984 419 E HN 0.254 nan 8.360 nan 0.000 0.425 420 V N 1.300 121.224 119.914 0.016 0.000 3.167 420 V HA 0.580 4.700 4.120 -0.001 0.000 0.293 420 V C -1.432 174.674 176.094 0.019 0.000 1.379 420 V CA -0.127 62.186 62.300 0.021 0.000 1.019 420 V CB 2.304 34.142 31.823 0.025 0.000 1.115 420 V HN 0.914 nan 8.190 nan 0.000 0.442 421 S N 4.936 120.649 115.700 0.022 0.000 2.661 421 S HA 0.846 5.315 4.470 -0.001 0.000 0.268 421 S C -1.898 172.717 174.600 0.026 0.000 1.162 421 S CA -0.882 57.330 58.200 0.020 0.000 0.817 421 S CB 1.526 64.735 63.200 0.015 0.000 1.141 421 S HN 0.926 nan 8.310 nan 0.000 0.477 422 L N 1.414 122.652 121.223 0.025 0.000 2.334 422 L HA 0.825 5.164 4.340 -0.001 0.000 0.276 422 L C 0.568 177.457 176.870 0.032 0.000 1.014 422 L CA -0.496 54.364 54.840 0.033 0.000 0.815 422 L CB 1.357 43.437 42.059 0.034 0.000 1.268 422 L HN 1.064 nan 8.230 nan 0.000 0.428 423 A N 3.655 126.501 122.820 0.042 0.000 2.425 423 A HA 0.583 4.902 4.320 -0.001 0.000 0.249 423 A C 0.038 177.650 177.584 0.046 0.000 1.084 423 A CA -0.213 51.845 52.037 0.036 0.000 0.781 423 A CB 0.057 19.091 19.000 0.058 0.000 1.019 423 A HN 0.695 nan 8.150 nan 0.000 0.490 424 R N 1.168 121.682 120.500 0.024 0.000 2.494 424 R HA 0.316 4.655 4.340 -0.001 0.000 0.305 424 R C -0.953 175.371 176.300 0.040 0.000 0.959 424 R CA -0.583 55.546 56.100 0.049 0.000 0.864 424 R CB 1.590 31.909 30.300 0.031 0.000 1.159 424 R HN 0.706 nan 8.270 nan 0.000 0.446 425 F N 1.821 121.743 119.950 -0.046 0.000 2.612 425 F HA 0.032 4.558 4.527 -0.001 0.000 0.389 425 F C 1.436 177.153 175.800 -0.139 0.000 1.055 425 F CA 2.193 60.148 58.000 -0.075 0.000 1.232 425 F CB 0.505 39.503 39.000 -0.003 0.000 1.044 425 F HN 0.920 nan 8.300 nan 0.000 0.560 426 G N 3.766 112.066 108.800 -0.832 0.000 2.212 426 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.266 426 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.266 426 G C 0.291 174.977 174.900 -0.357 0.000 0.978 426 G CA 0.347 45.058 45.100 -0.648 0.000 0.632 426 G HN 0.808 nan 8.290 nan 0.000 0.537 427 E N 1.080 121.126 120.200 -0.257 0.000 2.001 427 E HA 0.509 4.858 4.350 -0.001 0.000 0.279 427 E C 1.170 177.676 176.600 -0.158 0.000 1.045 427 E CA -0.091 56.222 56.400 -0.144 0.000 0.833 427 E CB -0.165 29.494 29.700 -0.069 0.000 1.077 427 E HN 0.442 nan 8.360 nan 0.000 0.397 428 G N 2.313 111.030 108.800 -0.138 0.000 2.614 428 G HA2 0.262 4.221 3.960 -0.001 0.000 0.239 428 G HA3 0.262 4.221 3.960 -0.001 0.000 0.239 428 G C -0.454 174.404 174.900 -0.069 0.000 1.240 428 G CA -0.364 44.670 45.100 -0.109 0.000 0.842 428 G HN 0.405 nan 8.290 nan 0.000 0.584 429 V N 3.631 123.510 119.914 -0.058 0.000 2.525 429 V HA 0.366 4.485 4.120 -0.001 0.000 0.299 429 V C -1.985 174.093 176.094 -0.027 0.000 1.034 429 V CA -1.455 60.823 62.300 -0.037 0.000 0.863 429 V CB 2.203 34.006 31.823 -0.034 0.000 0.999 429 V HN 0.734 nan 8.190 nan 0.000 0.423 430 P HA 0.251 nan 4.420 nan 0.000 0.271 430 P C -0.513 176.783 177.300 -0.007 0.000 1.218 430 P CA 0.188 63.281 63.100 -0.012 0.000 0.780 430 P CB 1.609 33.304 31.700 -0.008 0.000 0.901 431 V N 0.000 119.912 119.914 -0.004 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 431 V CA 0.000 62.302 62.300 0.003 0.000 1.235 431 V CB 0.000 31.827 31.823 0.007 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556