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 3fks_1_A DATA FIRST_RESID 24 DATA SEQUENCE EANLNETGRV LAVGDGIARV FGLNNIQAEE LVEFSSGVKG MALNLEPGQV DATA SEQUENCE GIVLFGSDRL VKEGELVKRT GNIVDVPVGP GLLGRVVDAL GNPIDGKGPI DATA SEQUENCE DAAGRSRAQV KAPGILPRRS VHEPVQTGLK AVDALVPIGR GQRELIIGDR DATA SEQUENCE QTGKTAVALD TILNQKRWNN GSDESKKLYC VYVAVGQKRS TVAQLVQTLE DATA SEQUENCE QHDAMKYSII VAATASEAAP LQYLAPFTAA SIGEWFRDNG KHALIVYDDL DATA SEQUENCE SKQAVAYRQL SLLLRRPPGR EAYPGDVFYL HSRLLERAAK LSEKEGSGSL DATA SEQUENCE TALPVIETQG GDVSAYIPTN VISITDGQIF LEAELFYKGI RPAINVGLSV DATA SEQUENCE SRVGSAAQVK ALKQVAGSLK LFLAQYREVA AFAQXXSDLD ASTKQTLVRG DATA SEQUENCE ERLTQLLKQN QYSPLATEEQ VPLIYAGVNG HLDGIELSRI GEFESSFLSY DATA SEQUENCE LKSNHNELLT EIREKGELSK ELLASLKSAT ESFVAT 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 24 E HA 0.000 nan 4.350 nan 0.000 0.291 24 E C 0.000 176.605 176.600 0.008 0.000 1.382 24 E CA 0.000 56.404 56.400 0.007 0.000 0.976 24 E CB 0.000 29.703 29.700 0.005 0.000 0.812 25 A N 3.151 125.978 122.820 0.012 0.000 2.475 25 A HA 0.207 4.526 4.320 -0.001 0.000 0.293 25 A C 0.260 177.853 177.584 0.015 0.000 1.252 25 A CA -0.412 51.633 52.037 0.014 0.000 0.920 25 A CB -0.256 18.757 19.000 0.022 0.000 1.125 25 A HN 0.533 nan 8.150 nan 0.000 0.528 26 N N 1.748 120.452 118.700 0.006 0.000 2.280 26 N HA 0.151 4.890 4.740 -0.001 0.000 0.192 26 N C 0.756 176.263 175.510 -0.005 0.000 1.109 26 N CA 0.153 53.204 53.050 0.003 0.000 0.855 26 N CB 0.029 38.514 38.487 -0.003 0.000 0.974 26 N HN 0.737 nan 8.380 nan 0.000 0.482 27 L N -0.754 120.465 121.223 -0.007 0.000 5.051 27 L HA -0.330 4.010 4.340 -0.001 0.000 0.432 27 L C 0.972 177.804 176.870 -0.063 0.000 1.055 27 L CA 0.564 55.385 54.840 -0.032 0.000 1.095 27 L CB -1.104 40.934 42.059 -0.034 0.000 1.957 27 L HN 0.195 nan 8.230 nan 0.000 0.727 28 N N -0.152 118.521 118.700 -0.044 0.000 2.368 28 N HA -0.014 4.726 4.740 -0.001 0.000 0.176 28 N C 1.387 176.869 175.510 -0.046 0.000 1.021 28 N CA 1.292 54.314 53.050 -0.048 0.000 0.888 28 N CB 0.213 38.680 38.487 -0.034 0.000 0.995 28 N HN 0.505 nan 8.380 nan 0.000 0.437 29 E N -0.245 119.931 120.200 -0.039 0.000 2.541 29 E HA 0.089 4.438 4.350 -0.001 0.000 0.219 29 E C 0.387 176.961 176.600 -0.044 0.000 0.922 29 E CA 0.232 56.608 56.400 -0.039 0.000 1.095 29 E CB 0.756 30.439 29.700 -0.028 0.000 1.112 29 E HN 0.274 nan 8.360 nan 0.000 0.516 30 T N -1.135 113.397 114.554 -0.038 0.000 2.952 30 T HA 0.783 5.132 4.350 -0.001 0.000 0.286 30 T C 0.402 175.081 174.700 -0.035 0.000 1.024 30 T CA -0.716 61.364 62.100 -0.033 0.000 1.029 30 T CB 2.440 71.301 68.868 -0.011 0.000 1.094 30 T HN 0.031 nan 8.240 nan 0.000 0.515 31 G N 0.539 109.324 108.800 -0.025 0.000 2.742 31 G HA2 0.571 4.530 3.960 -0.001 0.000 0.296 31 G HA3 0.571 4.530 3.960 -0.001 0.000 0.296 31 G C -1.419 173.508 174.900 0.045 0.000 1.436 31 G CA -1.014 44.086 45.100 -0.001 0.000 0.928 31 G HN 0.611 nan 8.290 nan 0.000 0.520 32 R N 0.660 121.230 120.500 0.117 0.000 2.532 32 R HA 0.486 4.826 4.340 -0.001 0.000 0.295 32 R C -0.303 176.084 176.300 0.145 0.000 0.968 32 R CA -0.833 55.342 56.100 0.126 0.000 0.916 32 R CB 2.058 32.437 30.300 0.132 0.000 1.124 32 R HN 0.319 nan 8.270 nan 0.000 0.463 33 V N 5.043 125.038 119.914 0.136 0.000 2.415 33 V HA 0.007 4.127 4.120 -0.001 0.000 0.267 33 V C 1.887 178.043 176.094 0.102 0.000 1.042 33 V CA 0.219 62.607 62.300 0.146 0.000 1.000 33 V CB 0.619 32.542 31.823 0.167 0.000 1.015 33 V HN 0.693 nan 8.190 nan 0.000 0.478 34 L N 4.832 126.118 121.223 0.106 0.000 2.131 34 L HA 0.323 4.662 4.340 -0.001 0.000 0.206 34 L C 0.945 177.841 176.870 0.043 0.000 1.087 34 L CA 1.380 56.260 54.840 0.066 0.000 0.767 34 L CB 0.197 42.308 42.059 0.087 0.000 0.917 34 L HN 0.774 nan 8.230 nan 0.000 0.441 35 A N -1.610 121.241 122.820 0.051 0.000 2.612 35 A HA 0.617 4.936 4.320 -0.001 0.000 0.293 35 A C -1.711 175.889 177.584 0.026 0.000 1.075 35 A CA -0.316 51.738 52.037 0.029 0.000 0.680 35 A CB 1.711 20.722 19.000 0.018 0.000 1.279 35 A HN -0.139 nan 8.150 nan 0.000 0.411 36 V N -0.226 119.690 119.914 0.003 0.000 3.048 36 V HA 0.905 5.025 4.120 -0.001 0.000 0.303 36 V C -0.153 175.922 176.094 -0.032 0.000 1.214 36 V CA 0.969 63.257 62.300 -0.020 0.000 0.984 36 V CB 2.000 33.798 31.823 -0.042 0.000 1.054 36 V HN 2.741 nan 8.190 nan 0.000 0.430 37 G N 3.251 112.025 108.800 -0.044 0.000 2.350 37 G HA2 0.449 4.408 3.960 -0.001 0.000 0.305 37 G HA3 0.449 4.408 3.960 -0.001 0.000 0.305 37 G C -0.653 174.220 174.900 -0.045 0.000 1.479 37 G CA 0.215 45.289 45.100 -0.043 0.000 0.949 37 G HN 1.114 nan 8.290 nan 0.000 0.651 38 D N -1.278 119.096 120.400 -0.043 0.000 3.059 38 D HA -0.119 4.520 4.640 -0.001 0.000 0.220 38 D C 1.785 178.053 176.300 -0.054 0.000 1.169 38 D CA 3.447 57.420 54.000 -0.045 0.000 0.902 38 D CB -1.236 39.538 40.800 -0.043 0.000 1.116 38 D HN 2.379 nan 8.370 nan 0.000 0.417 39 G N -1.379 107.384 108.800 -0.062 0.000 2.179 39 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.260 39 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.260 39 G C 0.159 175.006 174.900 -0.087 0.000 0.977 39 G CA 0.454 45.509 45.100 -0.074 0.000 0.641 39 G HN 0.464 nan 8.290 nan 0.000 0.533 40 I N 0.714 121.240 120.570 -0.073 0.000 2.569 40 I HA 0.765 4.935 4.170 -0.001 0.000 0.296 40 I C 0.223 176.319 176.117 -0.036 0.000 1.028 40 I CA -0.560 60.705 61.300 -0.059 0.000 1.082 40 I CB 2.206 40.173 38.000 -0.055 0.000 1.264 40 I HN 0.445 nan 8.210 nan 0.000 0.429 41 A N 5.626 128.450 122.820 0.006 0.000 2.311 41 A HA 0.758 5.077 4.320 -0.001 0.000 0.306 41 A C -0.475 177.165 177.584 0.092 0.000 1.189 41 A CA -0.725 51.344 52.037 0.054 0.000 0.791 41 A CB 0.574 19.629 19.000 0.093 0.000 1.172 41 A HN 0.667 nan 8.150 nan 0.000 0.481 42 R N 1.307 121.849 120.500 0.070 0.000 2.267 42 R HA 0.497 4.836 4.340 -0.001 0.000 0.319 42 R C -0.863 175.501 176.300 0.106 0.000 1.067 42 R CA -0.129 56.014 56.100 0.073 0.000 0.936 42 R CB 1.213 31.545 30.300 0.054 0.000 1.006 42 R HN 0.419 nan 8.270 nan 0.000 0.452 43 V N 4.502 124.480 119.914 0.105 0.000 2.604 43 V HA 0.308 4.428 4.120 -0.001 0.000 0.305 43 V C -0.690 175.483 176.094 0.131 0.000 1.043 43 V CA -0.876 61.496 62.300 0.120 0.000 0.888 43 V CB 1.607 33.477 31.823 0.079 0.000 0.995 43 V HN 0.546 nan 8.190 nan 0.000 0.429 44 F N 4.028 123.986 119.950 0.015 0.000 2.410 44 F HA 0.743 5.269 4.527 -0.001 0.000 0.348 44 F C 0.809 176.608 175.800 -0.002 0.000 1.106 44 F CA 1.380 59.384 58.000 0.006 0.000 1.163 44 F CB 0.898 39.902 39.000 0.008 0.000 1.129 44 F HN 0.901 nan 8.300 nan 0.000 0.516 45 G N 4.248 112.646 108.800 -0.669 0.000 2.464 45 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.216 45 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.216 45 G C -0.071 174.683 174.900 -0.245 0.000 1.186 45 G CA -0.516 44.306 45.100 -0.463 0.000 1.010 45 G HN 1.324 nan 8.290 nan 0.000 0.585 46 L N -0.054 121.078 121.223 -0.151 0.000 3.677 46 L HA -0.220 4.119 4.340 -0.001 0.000 0.464 46 L C 1.569 178.374 176.870 -0.108 0.000 1.278 46 L CA 0.459 55.234 54.840 -0.108 0.000 0.806 46 L CB -1.446 40.556 42.059 -0.094 0.000 1.610 46 L HN 0.643 nan 8.230 nan 0.000 0.867 47 N N 0.554 119.185 118.700 -0.115 0.000 2.084 47 N HA -0.099 4.641 4.740 -0.001 0.000 0.190 47 N C 1.011 176.481 175.510 -0.067 0.000 1.030 47 N CA 1.685 54.674 53.050 -0.102 0.000 0.849 47 N CB -0.164 38.264 38.487 -0.099 0.000 1.012 47 N HN 0.534 nan 8.380 nan 0.000 0.423 48 N N 0.733 119.401 118.700 -0.054 0.000 2.466 48 N HA 0.159 4.899 4.740 -0.001 0.000 0.251 48 N C -0.177 175.314 175.510 -0.032 0.000 1.164 48 N CA -0.008 53.019 53.050 -0.038 0.000 0.888 48 N CB 0.210 38.679 38.487 -0.030 0.000 1.177 48 N HN 0.363 nan 8.380 nan 0.000 0.498 49 I N 0.066 120.615 120.570 -0.037 0.000 2.566 49 I HA 0.139 4.309 4.170 -0.001 0.000 0.303 49 I C -0.056 176.051 176.117 -0.018 0.000 0.983 49 I CA -0.645 60.637 61.300 -0.029 0.000 1.235 49 I CB 1.177 39.155 38.000 -0.036 0.000 1.386 49 I HN 0.054 nan 8.210 nan 0.000 0.494 50 Q N 4.129 123.924 119.800 -0.008 0.000 2.205 50 Q HA 0.568 4.907 4.340 -0.001 0.000 0.249 50 Q C -0.458 175.546 176.000 0.007 0.000 0.948 50 Q CA -0.935 54.868 55.803 0.001 0.000 0.895 50 Q CB 1.620 30.361 28.738 0.006 0.000 1.249 50 Q HN 0.747 nan 8.270 nan 0.000 0.458 51 A N 1.416 124.244 122.820 0.013 0.000 2.440 51 A HA 0.149 4.468 4.320 -0.001 0.000 0.251 51 A C -0.042 177.560 177.584 0.030 0.000 1.089 51 A CA 0.028 52.077 52.037 0.020 0.000 0.779 51 A CB -0.028 18.986 19.000 0.023 0.000 1.022 51 A HN 0.931 nan 8.150 nan 0.000 0.492 52 E N -0.520 119.702 120.200 0.037 0.000 2.868 52 E HA -0.187 4.163 4.350 -0.001 0.000 0.278 52 E C 0.042 176.680 176.600 0.064 0.000 1.009 52 E CA 1.169 57.603 56.400 0.056 0.000 0.856 52 E CB -1.268 28.466 29.700 0.056 0.000 1.428 52 E HN 0.887 nan 8.360 nan 0.000 0.423 53 E N 0.671 120.901 120.200 0.050 0.000 2.248 53 E HA 0.416 4.765 4.350 -0.001 0.000 0.272 53 E C -0.362 176.282 176.600 0.073 0.000 1.008 53 E CA -0.658 55.772 56.400 0.050 0.000 0.856 53 E CB 0.837 30.551 29.700 0.024 0.000 1.120 53 E HN 0.026 nan 8.360 nan 0.000 0.397 54 L N 2.803 124.076 121.223 0.084 0.000 2.421 54 L HA 0.366 4.705 4.340 -0.001 0.000 0.263 54 L C -0.321 176.582 176.870 0.055 0.000 1.122 54 L CA -0.243 54.670 54.840 0.120 0.000 0.804 54 L CB 1.417 43.551 42.059 0.126 0.000 1.150 54 L HN 0.435 nan 8.230 nan 0.000 0.457 55 V N -1.591 118.357 119.914 0.055 0.000 3.049 55 V HA 0.660 4.779 4.120 -0.001 0.000 0.309 55 V C -0.985 175.073 176.094 -0.060 0.000 1.148 55 V CA -0.779 61.484 62.300 -0.061 0.000 0.990 55 V CB 1.845 33.560 31.823 -0.181 0.000 1.039 55 V HN 0.769 nan 8.190 nan 0.000 0.430 56 E N 1.638 121.764 120.200 -0.124 0.000 2.187 56 E HA 0.626 4.976 4.350 -0.001 0.000 0.268 56 E C -1.600 174.918 176.600 -0.136 0.000 0.896 56 E CA -0.676 55.701 56.400 -0.038 0.000 0.766 56 E CB 1.643 31.349 29.700 0.011 0.000 1.142 56 E HN 0.629 nan 8.360 nan 0.000 0.408 57 F N 1.331 121.310 119.950 0.048 0.000 2.380 57 F HA 0.164 4.690 4.527 -0.001 0.000 0.321 57 F C 1.779 177.598 175.800 0.032 0.000 1.103 57 F CA -0.239 57.784 58.000 0.039 0.000 1.067 57 F CB 1.375 40.399 39.000 0.040 0.000 1.265 57 F HN 0.491 nan 8.300 nan 0.000 0.517 58 S N -0.188 115.654 115.700 0.237 0.000 2.399 58 S HA -0.200 4.269 4.470 -0.001 0.000 0.231 58 S C 2.210 176.882 174.600 0.121 0.000 1.022 58 S CA 1.428 59.709 58.200 0.136 0.000 0.983 58 S CB -0.528 62.739 63.200 0.112 0.000 0.803 58 S HN 0.741 nan 8.310 nan 0.000 0.480 59 S N 0.637 116.424 115.700 0.145 0.000 2.399 59 S HA 0.153 4.623 4.470 -0.001 0.000 0.231 59 S C 1.740 176.392 174.600 0.086 0.000 1.022 59 S CA 1.420 59.673 58.200 0.088 0.000 0.983 59 S CB -0.392 62.839 63.200 0.051 0.000 0.803 59 S HN 0.765 nan 8.310 nan 0.000 0.480 60 G N 0.031 108.905 108.800 0.124 0.000 2.699 60 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.198 60 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.198 60 G C 0.141 175.117 174.900 0.126 0.000 1.033 60 G CA -0.132 45.029 45.100 0.102 0.000 0.728 60 G HN 0.925 nan 8.290 nan 0.000 0.484 61 V N 2.074 122.071 119.914 0.138 0.000 2.963 61 V HA 0.582 4.701 4.120 -0.001 0.000 0.306 61 V C 0.556 176.828 176.094 0.296 0.000 1.077 61 V CA 0.548 62.946 62.300 0.163 0.000 1.124 61 V CB 1.242 33.127 31.823 0.103 0.000 0.987 61 V HN 0.425 nan 8.190 nan 0.000 0.487 62 K N 3.046 123.639 120.400 0.321 0.000 2.303 62 K HA 0.874 5.194 4.320 -0.001 0.000 0.233 62 K C -0.251 176.728 176.600 0.632 0.000 1.046 62 K CA -0.257 56.283 56.287 0.422 0.000 0.895 62 K CB 1.945 34.597 32.500 0.254 0.000 1.220 62 K HN 0.958 nan 8.250 nan 0.000 0.470 63 G N 0.415 109.575 108.800 0.599 0.000 2.601 63 G HA2 0.446 4.406 3.960 -0.001 0.000 0.291 63 G HA3 0.446 4.406 3.960 -0.001 0.000 0.291 63 G C -1.479 173.603 174.900 0.304 0.000 1.456 63 G CA -0.976 44.354 45.100 0.382 0.000 0.804 63 G HN 0.524 nan 8.290 nan 0.000 0.499 64 M N 0.428 120.080 119.600 0.088 0.000 2.436 64 M HA 0.851 5.330 4.480 -0.001 0.000 0.331 64 M C -0.106 176.210 176.300 0.027 0.000 1.135 64 M CA -0.977 54.398 55.300 0.125 0.000 0.987 64 M CB 2.412 35.134 32.600 0.202 0.000 1.687 64 M HN 0.804 nan 8.290 nan 0.000 0.445 65 A N 3.855 126.696 122.820 0.035 0.000 2.269 65 A HA 0.589 4.908 4.320 -0.001 0.000 0.302 65 A C 0.241 177.828 177.584 0.005 0.000 1.266 65 A CA -0.755 51.288 52.037 0.010 0.000 0.894 65 A CB 0.142 19.144 19.000 0.003 0.000 1.147 65 A HN 1.083 nan 8.150 nan 0.000 0.537 66 L N 1.742 122.957 121.223 -0.014 0.000 2.356 66 L HA 0.131 4.470 4.340 -0.001 0.000 0.193 66 L C 0.226 177.090 176.870 -0.010 0.000 1.087 66 L CA 0.121 54.952 54.840 -0.015 0.000 0.817 66 L CB -0.250 41.778 42.059 -0.051 0.000 1.035 66 L HN 0.569 nan 8.230 nan 0.000 0.482 67 N N 1.638 120.327 118.700 -0.018 0.000 2.401 67 N HA 0.239 4.978 4.740 -0.001 0.000 0.255 67 N C -0.679 174.826 175.510 -0.008 0.000 1.110 67 N CA 0.298 53.340 53.050 -0.013 0.000 0.949 67 N CB 0.660 39.137 38.487 -0.018 0.000 1.110 67 N HN 0.123 nan 8.380 nan 0.000 0.490 68 L N 2.405 123.625 121.223 -0.006 0.000 2.657 68 L HA 0.249 4.589 4.340 -0.001 0.000 0.239 68 L C 0.357 177.221 176.870 -0.010 0.000 1.215 68 L CA -0.347 54.486 54.840 -0.011 0.000 1.161 68 L CB -0.213 41.840 42.059 -0.011 0.000 1.436 68 L HN 0.371 nan 8.230 nan 0.000 0.414 69 E N 1.205 121.400 120.200 -0.008 0.000 2.390 69 E HA 0.082 4.431 4.350 -0.001 0.000 0.261 69 E C -1.467 175.129 176.600 -0.007 0.000 1.076 69 E CA -1.677 54.722 56.400 -0.002 0.000 0.905 69 E CB 0.618 30.322 29.700 0.007 0.000 0.984 69 E HN 0.147 nan 8.360 nan 0.000 0.427 70 P HA -0.254 nan 4.420 nan 0.000 0.212 70 P C 1.210 178.503 177.300 -0.012 0.000 1.174 70 P CA 1.774 64.871 63.100 -0.005 0.000 0.934 70 P CB -0.010 31.695 31.700 0.009 0.000 0.791 71 G N -0.965 107.848 108.800 0.021 0.000 2.404 71 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.213 71 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.213 71 G C 0.679 175.589 174.900 0.017 0.000 1.189 71 G CA 0.338 45.469 45.100 0.052 0.000 0.796 71 G HN 0.467 nan 8.290 nan 0.000 0.532 72 Q N -0.649 119.185 119.800 0.056 0.000 2.194 72 Q HA 0.669 5.008 4.340 -0.001 0.000 0.245 72 Q C -1.566 174.436 176.000 0.004 0.000 0.993 72 Q CA -0.835 55.003 55.803 0.058 0.000 0.930 72 Q CB 2.415 31.214 28.738 0.102 0.000 1.238 72 Q HN 0.013 nan 8.270 nan 0.000 0.486 73 V N 0.312 120.231 119.914 0.008 0.000 2.577 73 V HA 0.539 4.658 4.120 -0.001 0.000 0.303 73 V C -0.115 175.988 176.094 0.016 0.000 1.042 73 V CA -0.618 61.679 62.300 -0.004 0.000 0.872 73 V CB 1.721 33.526 31.823 -0.029 0.000 0.998 73 V HN 0.900 nan 8.190 nan 0.000 0.423 74 G N 4.603 113.408 108.800 0.008 0.000 2.327 74 G HA2 0.623 4.582 3.960 -0.001 0.000 0.302 74 G HA3 0.623 4.582 3.960 -0.001 0.000 0.302 74 G C -0.916 173.989 174.900 0.009 0.000 1.113 74 G CA -0.136 44.970 45.100 0.009 0.000 0.921 74 G HN 0.475 nan 8.290 nan 0.000 0.425 75 I N 2.090 122.683 120.570 0.039 0.000 2.441 75 I HA 0.300 4.469 4.170 -0.001 0.000 0.295 75 I C 0.246 176.370 176.117 0.012 0.000 0.994 75 I CA -0.924 60.407 61.300 0.050 0.000 1.144 75 I CB 2.316 40.406 38.000 0.151 0.000 1.314 75 I HN 0.388 nan 8.210 nan 0.000 0.445 76 V N 5.286 125.157 119.914 -0.073 0.000 2.383 76 V HA 0.540 4.659 4.120 -0.001 0.000 0.275 76 V C 0.066 176.009 176.094 -0.252 0.000 1.036 76 V CA -0.851 61.351 62.300 -0.163 0.000 0.889 76 V CB 0.590 32.278 31.823 -0.225 0.000 0.985 76 V HN 0.479 nan 8.190 nan 0.000 0.459 77 L N 3.875 124.991 121.223 -0.178 0.000 2.461 77 L HA 0.299 4.638 4.340 -0.001 0.000 0.272 77 L C 0.754 177.497 176.870 -0.212 0.000 1.197 77 L CA 0.060 54.812 54.840 -0.147 0.000 0.836 77 L CB 0.309 42.287 42.059 -0.135 0.000 1.105 77 L HN 0.601 nan 8.230 nan 0.000 0.477 78 F N 0.396 120.380 119.950 0.057 0.000 2.727 78 F HA 0.251 4.778 4.527 -0.001 0.000 0.302 78 F C 1.242 177.064 175.800 0.036 0.000 1.097 78 F CA 0.030 58.066 58.000 0.059 0.000 1.330 78 F CB 0.434 39.480 39.000 0.076 0.000 1.084 78 F HN 0.521 nan 8.300 nan 0.000 0.578 79 G N -1.315 107.573 108.800 0.146 0.000 3.135 79 G HA2 0.340 4.300 3.960 -0.001 0.000 0.278 79 G HA3 0.340 4.300 3.960 -0.001 0.000 0.278 79 G C -1.009 173.900 174.900 0.014 0.000 1.302 79 G CA -0.624 44.525 45.100 0.081 0.000 0.880 79 G HN -0.152 nan 8.290 nan 0.000 0.574 80 S N -0.200 115.502 115.700 0.002 0.000 2.516 80 S HA 0.164 4.633 4.470 -0.001 0.000 0.282 80 S C 1.290 175.854 174.600 -0.059 0.000 1.286 80 S CA 0.310 58.498 58.200 -0.021 0.000 1.066 80 S CB 0.477 63.670 63.200 -0.012 0.000 0.884 80 S HN 0.511 nan 8.310 nan 0.000 0.491 81 D N 4.291 124.648 120.400 -0.071 0.000 2.309 81 D HA -0.154 4.485 4.640 -0.001 0.000 0.212 81 D C 1.738 177.978 176.300 -0.100 0.000 0.968 81 D CA 0.662 54.597 54.000 -0.109 0.000 0.882 81 D CB -0.174 40.572 40.800 -0.091 0.000 0.918 81 D HN 0.625 nan 8.370 nan 0.000 0.503 82 R N 0.822 121.283 120.500 -0.065 0.000 2.103 82 R HA -0.128 4.211 4.340 -0.001 0.000 0.242 82 R C 2.041 178.306 176.300 -0.058 0.000 1.142 82 R CA 1.105 57.175 56.100 -0.050 0.000 0.960 82 R CB -0.420 29.861 30.300 -0.031 0.000 0.858 82 R HN 0.258 nan 8.270 nan 0.000 0.439 83 L N 0.857 122.041 121.223 -0.065 0.000 2.129 83 L HA -0.104 4.236 4.340 -0.001 0.000 0.212 83 L C 0.766 177.586 176.870 -0.085 0.000 1.087 83 L CA 0.600 55.405 54.840 -0.059 0.000 0.757 83 L CB -0.271 41.757 42.059 -0.051 0.000 0.896 83 L HN 0.003 nan 8.230 nan 0.000 0.434 84 V N 0.340 120.159 119.914 -0.159 0.000 2.509 84 V HA 0.216 4.335 4.120 -0.001 0.000 0.284 84 V C 0.133 176.172 176.094 -0.091 0.000 1.047 84 V CA -0.457 61.727 62.300 -0.193 0.000 0.952 84 V CB 1.468 33.025 31.823 -0.443 0.000 0.988 84 V HN 0.165 nan 8.190 nan 0.000 0.469 85 K N 2.125 122.508 120.400 -0.029 0.000 2.395 85 K HA 0.469 4.789 4.320 -0.001 0.000 0.245 85 K C -0.477 176.138 176.600 0.024 0.000 1.017 85 K CA -0.899 55.385 56.287 -0.004 0.000 0.852 85 K CB 2.319 34.823 32.500 0.006 0.000 1.311 85 K HN 0.755 nan 8.250 nan 0.000 0.452 86 E N 0.158 120.370 120.200 0.020 0.000 2.392 86 E HA 0.076 4.426 4.350 -0.001 0.000 0.264 86 E C 0.271 176.895 176.600 0.040 0.000 1.024 86 E CA 0.720 57.138 56.400 0.031 0.000 0.903 86 E CB 0.275 29.984 29.700 0.015 0.000 0.963 86 E HN 0.740 nan 8.360 nan 0.000 0.432 87 G N 3.192 112.024 108.800 0.053 0.000 2.198 87 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.257 87 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.257 87 G C 0.060 175.001 174.900 0.069 0.000 1.042 87 G CA 0.572 45.704 45.100 0.052 0.000 0.791 87 G HN 0.605 nan 8.290 nan 0.000 0.502 88 E N -1.188 119.072 120.200 0.101 0.000 2.342 88 E HA 0.686 5.036 4.350 -0.001 0.000 0.257 88 E C 0.388 177.057 176.600 0.115 0.000 1.150 88 E CA -0.764 55.711 56.400 0.125 0.000 0.926 88 E CB 0.631 30.451 29.700 0.201 0.000 1.074 88 E HN 0.397 nan 8.360 nan 0.000 0.449 89 L N 2.260 123.544 121.223 0.100 0.000 2.307 89 L HA 0.463 4.802 4.340 -0.001 0.000 0.282 89 L C -1.445 175.426 176.870 0.001 0.000 1.051 89 L CA -0.513 54.357 54.840 0.051 0.000 0.804 89 L CB 1.420 43.502 42.059 0.038 0.000 1.197 89 L HN 0.295 nan 8.230 nan 0.000 0.431 90 V N 4.995 124.864 119.914 -0.075 0.000 2.531 90 V HA 0.523 4.643 4.120 -0.001 0.000 0.301 90 V C -0.342 175.657 176.094 -0.159 0.000 1.034 90 V CA -0.865 61.296 62.300 -0.232 0.000 0.865 90 V CB 1.591 33.206 31.823 -0.346 0.000 0.995 90 V HN 0.702 nan 8.190 nan 0.000 0.424 91 K N 3.651 123.957 120.400 -0.158 0.000 2.207 91 K HA 0.648 4.967 4.320 -0.001 0.000 0.255 91 K C -0.399 176.143 176.600 -0.098 0.000 0.941 91 K CA -0.894 55.336 56.287 -0.096 0.000 0.825 91 K CB 2.481 34.948 32.500 -0.056 0.000 1.119 91 K HN 0.545 nan 8.250 nan 0.000 0.430 92 R N 0.379 120.838 120.500 -0.068 0.000 2.582 92 R HA 0.046 4.386 4.340 -0.001 0.000 0.271 92 R C 1.229 177.509 176.300 -0.033 0.000 1.078 92 R CA 0.120 56.189 56.100 -0.052 0.000 1.127 92 R CB 0.645 30.920 30.300 -0.041 0.000 1.038 92 R HN 0.817 nan 8.270 nan 0.000 0.500 93 T N -2.174 112.368 114.554 -0.020 0.000 3.034 93 T HA 0.133 4.482 4.350 -0.001 0.000 0.248 93 T C 1.377 176.074 174.700 -0.005 0.000 1.040 93 T CA 0.447 62.542 62.100 -0.008 0.000 1.107 93 T CB 0.351 69.222 68.868 0.005 0.000 0.932 93 T HN 0.803 nan 8.240 nan 0.000 0.474 94 G N 1.697 110.495 108.800 -0.004 0.000 2.148 94 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.254 94 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.254 94 G C -0.234 174.668 174.900 0.004 0.000 0.981 94 G CA -0.014 45.085 45.100 -0.002 0.000 0.670 94 G HN 0.646 nan 8.290 nan 0.000 0.528 95 N N 0.257 118.963 118.700 0.009 0.000 2.354 95 N HA 0.542 5.282 4.740 -0.001 0.000 0.287 95 N C 0.429 175.955 175.510 0.026 0.000 1.016 95 N CA -0.678 52.381 53.050 0.014 0.000 0.871 95 N CB 1.210 39.703 38.487 0.010 0.000 1.299 95 N HN 0.070 nan 8.380 nan 0.000 0.482 96 I N 1.202 121.787 120.570 0.026 0.000 2.779 96 I HA 0.040 4.209 4.170 -0.001 0.000 0.285 96 I C 1.026 177.168 176.117 0.041 0.000 1.134 96 I CA -0.604 60.718 61.300 0.036 0.000 1.398 96 I CB 0.188 38.206 38.000 0.029 0.000 1.404 96 I HN 0.258 nan 8.210 nan 0.000 0.587 97 V N 2.540 122.491 119.914 0.061 0.000 2.536 97 V HA 0.033 4.152 4.120 -0.001 0.000 0.287 97 V C -0.069 176.045 176.094 0.034 0.000 0.979 97 V CA -0.305 62.033 62.300 0.063 0.000 1.161 97 V CB -1.280 30.602 31.823 0.098 0.000 0.915 97 V HN 0.860 nan 8.190 nan 0.000 0.467 98 D N 3.585 123.995 120.400 0.018 0.000 2.547 98 D HA 0.703 5.343 4.640 -0.001 0.000 0.231 98 D C -0.868 175.432 176.300 -0.001 0.000 1.099 98 D CA -0.941 53.067 54.000 0.012 0.000 0.901 98 D CB 2.276 43.082 40.800 0.010 0.000 1.478 98 D HN 0.567 nan 8.370 nan 0.000 0.471 99 V N 0.364 120.280 119.914 0.003 0.000 2.760 99 V HA 0.527 4.647 4.120 -0.001 0.000 0.309 99 V C -2.765 173.319 176.094 -0.017 0.000 1.077 99 V CA -2.096 60.198 62.300 -0.010 0.000 0.910 99 V CB 2.442 34.265 31.823 -0.001 0.000 1.008 99 V HN 0.550 nan 8.190 nan 0.000 0.424 100 P HA 0.201 nan 4.420 nan 0.000 0.268 100 P C -0.402 176.845 177.300 -0.089 0.000 1.204 100 P CA 0.463 63.529 63.100 -0.056 0.000 0.768 100 P CB 1.178 32.839 31.700 -0.064 0.000 0.842 101 V N 0.044 119.884 119.914 -0.123 0.000 3.240 101 V HA 1.003 5.123 4.120 -0.001 0.000 0.306 101 V C 0.270 176.051 176.094 -0.523 0.000 1.227 101 V CA -0.245 61.911 62.300 -0.241 0.000 1.047 101 V CB 0.823 32.583 31.823 -0.105 0.000 1.203 101 V HN 0.960 nan 8.190 nan 0.000 0.471 102 G N -0.528 107.594 108.800 -1.131 0.000 2.462 102 G HA2 0.042 4.001 3.960 -0.001 0.000 0.685 102 G HA3 0.042 4.001 3.960 -0.001 0.000 0.685 102 G C -2.660 171.440 174.900 -1.332 0.000 1.295 102 G CA -0.122 43.933 45.100 -1.741 0.000 0.941 102 G HN 0.706 nan 8.290 nan 0.000 0.554 103 P HA 0.100 nan 4.420 nan 0.000 0.233 103 P C 1.878 178.992 177.300 -0.310 0.000 1.167 103 P CA 1.523 64.265 63.100 -0.596 0.000 0.770 103 P CB -0.037 31.424 31.700 -0.398 0.000 0.837 104 G N -0.290 108.320 108.800 -0.317 0.000 2.498 104 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.219 104 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.219 104 G C 1.061 175.881 174.900 -0.134 0.000 1.119 104 G CA 0.515 45.505 45.100 -0.184 0.000 0.766 104 G HN 0.228 nan 8.290 nan 0.000 0.552 105 L N -0.085 121.047 121.223 -0.151 0.000 2.477 105 L HA 0.340 4.679 4.340 -0.001 0.000 0.220 105 L C 1.169 178.025 176.870 -0.023 0.000 1.106 105 L CA -0.003 54.789 54.840 -0.080 0.000 0.851 105 L CB -0.095 41.916 42.059 -0.081 0.000 0.994 105 L HN 0.046 nan 8.230 nan 0.000 0.462 106 L N 1.429 122.648 121.223 -0.007 0.000 2.698 106 L HA 0.130 4.470 4.340 -0.001 0.000 0.272 106 L C 1.211 178.099 176.870 0.031 0.000 1.154 106 L CA 0.724 55.596 54.840 0.054 0.000 0.964 106 L CB -0.592 41.520 42.059 0.088 0.000 1.272 106 L HN 0.494 nan 8.230 nan 0.000 0.483 107 G N 2.370 111.182 108.800 0.020 0.000 2.144 107 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.218 107 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.218 107 G C 0.039 174.928 174.900 -0.017 0.000 0.988 107 G CA -0.671 44.424 45.100 -0.009 0.000 0.659 107 G HN 0.448 nan 8.290 nan 0.000 0.522 108 R N -0.327 120.166 120.500 -0.012 0.000 2.670 108 R HA 0.672 5.011 4.340 -0.001 0.000 0.289 108 R C -0.444 175.850 176.300 -0.009 0.000 0.965 108 R CA -0.797 55.294 56.100 -0.016 0.000 0.899 108 R CB 2.025 32.312 30.300 -0.022 0.000 1.173 108 R HN 0.187 nan 8.270 nan 0.000 0.456 109 V N 3.495 123.403 119.914 -0.010 0.000 2.333 109 V HA 0.330 4.449 4.120 -0.001 0.000 0.274 109 V C 0.231 176.326 176.094 0.001 0.000 1.028 109 V CA -0.690 61.609 62.300 -0.001 0.000 0.851 109 V CB 1.319 33.139 31.823 -0.006 0.000 1.000 109 V HN 0.563 nan 8.190 nan 0.000 0.456 110 V N 1.753 121.672 119.914 0.008 0.000 2.864 110 V HA 0.770 4.890 4.120 -0.001 0.000 0.314 110 V C -0.133 175.970 176.094 0.015 0.000 1.073 110 V CA -0.914 61.389 62.300 0.004 0.000 0.956 110 V CB 2.033 33.853 31.823 -0.005 0.000 1.023 110 V HN 0.755 nan 8.190 nan 0.000 0.435 111 D N 2.725 123.130 120.400 0.010 0.000 2.398 111 D HA 0.322 4.962 4.640 -0.001 0.000 0.264 111 D C 1.167 177.478 176.300 0.020 0.000 1.263 111 D CA 0.078 54.090 54.000 0.019 0.000 1.037 111 D CB 0.899 41.706 40.800 0.011 0.000 1.101 111 D HN 0.869 nan 8.370 nan 0.000 0.551 112 A N -0.937 121.902 122.820 0.031 0.000 2.248 112 A HA 0.050 4.369 4.320 -0.001 0.000 0.210 112 A C 1.932 179.519 177.584 0.006 0.000 1.174 112 A CA 0.552 52.614 52.037 0.042 0.000 0.750 112 A CB -0.738 18.315 19.000 0.088 0.000 0.780 112 A HN 0.498 nan 8.150 nan 0.000 0.478 113 L N -2.492 118.710 121.223 -0.035 0.000 2.858 113 L HA 0.317 4.657 4.340 -0.001 0.000 0.251 113 L C 1.462 178.301 176.870 -0.052 0.000 1.149 113 L CA 0.546 55.341 54.840 -0.075 0.000 0.955 113 L CB 0.509 42.474 42.059 -0.158 0.000 1.289 113 L HN 0.478 nan 8.230 nan 0.000 0.542 114 G N 0.078 108.859 108.800 -0.032 0.000 2.141 114 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.231 114 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.231 114 G C -0.066 174.813 174.900 -0.035 0.000 0.984 114 G CA -0.384 44.697 45.100 -0.031 0.000 0.660 114 G HN 0.284 nan 8.290 nan 0.000 0.525 115 N N 1.573 120.253 118.700 -0.034 0.000 2.529 115 N HA 0.482 5.221 4.740 -0.001 0.000 0.278 115 N C -2.678 172.820 175.510 -0.020 0.000 1.146 115 N CA -1.275 51.757 53.050 -0.030 0.000 0.980 115 N CB 1.215 39.683 38.487 -0.033 0.000 1.124 115 N HN 0.090 nan 8.380 nan 0.000 0.458 116 P HA 0.204 nan 4.420 nan 0.000 0.271 116 P C 0.484 177.778 177.300 -0.010 0.000 1.216 116 P CA -0.021 63.070 63.100 -0.016 0.000 0.776 116 P CB 0.510 32.199 31.700 -0.018 0.000 0.881 117 I N -0.875 119.691 120.570 -0.006 0.000 4.442 117 I HA 0.212 4.382 4.170 -0.001 0.000 0.331 117 I C 0.362 176.477 176.117 -0.004 0.000 1.364 117 I CA -0.140 61.159 61.300 -0.002 0.000 1.207 117 I CB 0.367 38.370 38.000 0.005 0.000 1.298 117 I HN 0.072 nan 8.210 nan 0.000 0.463 118 D N 1.758 122.153 120.400 -0.008 0.000 2.327 118 D HA 0.135 4.775 4.640 -0.001 0.000 0.205 118 D C 1.718 178.011 176.300 -0.011 0.000 0.989 118 D CA 1.062 55.056 54.000 -0.011 0.000 0.873 118 D CB 0.019 40.810 40.800 -0.015 0.000 0.955 118 D HN 0.454 nan 8.370 nan 0.000 0.515 119 G N 0.655 109.449 108.800 -0.011 0.000 2.141 119 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.242 119 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.242 119 G C 0.682 175.575 174.900 -0.012 0.000 0.982 119 G CA 0.236 45.329 45.100 -0.010 0.000 0.662 119 G HN 0.422 nan 8.290 nan 0.000 0.527 120 K N 0.659 121.050 120.400 -0.014 0.000 2.504 120 K HA 0.442 4.762 4.320 -0.001 0.000 0.199 120 K C 1.451 178.042 176.600 -0.016 0.000 1.028 120 K CA 0.467 56.745 56.287 -0.016 0.000 1.164 120 K CB 0.097 32.586 32.500 -0.018 0.000 0.877 120 K HN 1.455 nan 8.250 nan 0.000 0.508 121 G N 2.010 110.801 108.800 -0.015 0.000 2.728 121 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.294 121 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.294 121 G C -2.688 172.200 174.900 -0.019 0.000 1.342 121 G CA -1.271 43.820 45.100 -0.016 0.000 0.866 121 G HN 0.007 nan 8.290 nan 0.000 0.534 122 P HA 0.486 nan 4.420 nan 0.000 0.272 122 P C 0.049 177.330 177.300 -0.031 0.000 1.248 122 P CA -0.115 62.970 63.100 -0.025 0.000 0.799 122 P CB 0.302 31.988 31.700 -0.023 0.000 0.997 123 I N 0.388 120.936 120.570 -0.038 0.000 2.439 123 I HA 0.197 4.367 4.170 -0.001 0.000 0.285 123 I C -0.651 175.431 176.117 -0.059 0.000 1.021 123 I CA -0.765 60.505 61.300 -0.050 0.000 1.091 123 I CB 1.476 39.443 38.000 -0.056 0.000 1.242 123 I HN 0.139 nan 8.210 nan 0.000 0.439 124 D N 6.131 126.494 120.400 -0.063 0.000 2.363 124 D HA 0.322 4.962 4.640 -0.001 0.000 0.263 124 D C 0.238 176.480 176.300 -0.097 0.000 1.258 124 D CA 0.281 54.241 54.000 -0.067 0.000 0.907 124 D CB 0.945 41.709 40.800 -0.059 0.000 1.107 124 D HN 0.572 nan 8.370 nan 0.000 0.495 125 A N 2.205 124.972 122.820 -0.089 0.000 2.310 125 A HA 0.596 4.915 4.320 -0.001 0.000 0.299 125 A C 0.671 178.192 177.584 -0.105 0.000 1.147 125 A CA -0.685 51.283 52.037 -0.115 0.000 0.818 125 A CB 0.977 19.925 19.000 -0.086 0.000 1.096 125 A HN 0.580 nan 8.150 nan 0.000 0.495 126 A N 1.819 124.549 122.820 -0.151 0.000 2.797 126 A HA 0.588 4.907 4.320 -0.001 0.000 0.287 126 A C 0.915 178.502 177.584 0.005 0.000 1.369 126 A CA 0.530 52.521 52.037 -0.077 0.000 0.968 126 A CB -1.146 17.785 19.000 -0.116 0.000 1.069 126 A HN 2.681 nan 8.150 nan 0.000 0.571 127 G N -0.383 108.409 108.800 -0.014 0.000 2.440 127 G HA2 0.088 4.047 3.960 -0.001 0.000 0.684 127 G HA3 0.088 4.047 3.960 -0.001 0.000 0.684 127 G C -0.830 174.073 174.900 0.004 0.000 1.309 127 G CA -1.084 44.027 45.100 0.018 0.000 0.931 127 G HN 0.553 nan 8.290 nan 0.000 0.612 128 R N -0.637 119.872 120.500 0.015 0.000 2.873 128 R HA 0.884 5.223 4.340 -0.001 0.000 0.264 128 R C -0.619 175.698 176.300 0.028 0.000 1.026 128 R CA -0.798 55.308 56.100 0.010 0.000 1.002 128 R CB 2.205 32.505 30.300 0.000 0.000 1.174 128 R HN 0.605 nan 8.270 nan 0.000 0.488 129 S N 0.151 115.867 115.700 0.027 0.000 2.537 129 S HA 0.372 4.842 4.470 -0.001 0.000 0.270 129 S C -0.813 173.806 174.600 0.033 0.000 1.142 129 S CA -0.905 57.317 58.200 0.037 0.000 0.870 129 S CB 2.148 65.381 63.200 0.055 0.000 1.112 129 S HN 0.420 nan 8.310 nan 0.000 0.466 130 R N 0.557 121.077 120.500 0.033 0.000 2.827 130 R HA 0.324 4.663 4.340 -0.001 0.000 0.269 130 R C 1.340 177.665 176.300 0.043 0.000 1.048 130 R CA 0.283 56.402 56.100 0.032 0.000 1.173 130 R CB 0.151 30.467 30.300 0.028 0.000 1.070 130 R HN 0.772 nan 8.270 nan 0.000 0.498 131 A N 1.541 124.382 122.820 0.036 0.000 1.970 131 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 131 A C 0.404 178.026 177.584 0.063 0.000 1.170 131 A CA 0.959 53.028 52.037 0.053 0.000 0.645 131 A CB 0.247 19.257 19.000 0.018 0.000 0.816 131 A HN 0.484 nan 8.150 nan 0.000 0.447 132 Q N 0.761 120.558 119.800 -0.005 0.000 2.430 132 Q HA 0.464 4.803 4.340 -0.001 0.000 0.245 132 Q C -1.284 174.742 176.000 0.043 0.000 1.021 132 Q CA 0.025 55.821 55.803 -0.011 0.000 0.867 132 Q CB 1.209 29.889 28.738 -0.096 0.000 1.210 132 Q HN 0.181 nan 8.270 nan 0.000 0.487 133 V N 2.520 122.482 119.914 0.081 0.000 2.555 133 V HA 0.337 4.457 4.120 -0.001 0.000 0.302 133 V C 0.281 176.412 176.094 0.061 0.000 1.038 133 V CA -1.017 61.320 62.300 0.062 0.000 0.887 133 V CB 2.128 33.987 31.823 0.060 0.000 0.991 133 V HN 0.535 nan 8.190 nan 0.000 0.434 134 K N 2.708 123.139 120.400 0.051 0.000 2.448 134 K HA 0.463 4.782 4.320 -0.001 0.000 0.278 134 K C 0.424 177.049 176.600 0.042 0.000 1.009 134 K CA -0.003 56.315 56.287 0.052 0.000 0.995 134 K CB 0.754 33.283 32.500 0.048 0.000 0.917 134 K HN 0.870 nan 8.250 nan 0.000 0.481 135 A N 4.793 127.638 122.820 0.042 0.000 2.448 135 A HA 0.200 4.520 4.320 -0.001 0.000 0.239 135 A C -2.060 175.540 177.584 0.027 0.000 1.080 135 A CA -1.078 50.976 52.037 0.029 0.000 0.779 135 A CB -0.465 18.550 19.000 0.025 0.000 1.026 135 A HN 0.462 nan 8.150 nan 0.000 0.499 136 P HA 0.234 nan 4.420 nan 0.000 0.268 136 P C 0.714 178.026 177.300 0.020 0.000 1.204 136 P CA 0.560 63.671 63.100 0.017 0.000 0.768 136 P CB 0.453 32.162 31.700 0.015 0.000 0.842 137 G N 1.595 110.406 108.800 0.018 0.000 2.661 137 G HA2 0.038 3.997 3.960 -0.001 0.000 0.272 137 G HA3 0.038 3.997 3.960 -0.001 0.000 0.272 137 G C 0.808 175.719 174.900 0.018 0.000 1.296 137 G CA -0.371 44.740 45.100 0.019 0.000 0.998 137 G HN 0.398 nan 8.290 nan 0.000 0.553 138 I N -0.854 119.727 120.570 0.018 0.000 2.876 138 I HA 0.077 4.246 4.170 -0.001 0.000 0.264 138 I C 2.261 178.386 176.117 0.014 0.000 1.204 138 I CA 0.371 61.681 61.300 0.017 0.000 1.485 138 I CB -0.297 37.713 38.000 0.018 0.000 1.103 138 I HN 0.298 nan 8.210 nan 0.000 0.446 139 L N 1.352 122.582 121.223 0.011 0.000 2.168 139 L HA 0.143 4.482 4.340 -0.001 0.000 0.203 139 L C -0.962 175.913 176.870 0.008 0.000 1.078 139 L CA 1.323 56.168 54.840 0.008 0.000 0.780 139 L CB -1.092 40.971 42.059 0.006 0.000 0.939 139 L HN 0.119 nan 8.230 nan 0.000 0.451 140 P HA 0.104 nan 4.420 nan 0.000 0.254 140 P C -0.805 176.502 177.300 0.011 0.000 1.631 140 P CA 0.315 63.419 63.100 0.006 0.000 0.861 140 P CB -0.100 31.602 31.700 0.003 0.000 1.663 141 R N 0.140 120.649 120.500 0.015 0.000 2.803 141 R HA 0.600 4.940 4.340 -0.001 0.000 0.276 141 R C -0.147 176.168 176.300 0.025 0.000 0.978 141 R CA -0.941 55.172 56.100 0.021 0.000 0.939 141 R CB 2.368 32.681 30.300 0.021 0.000 1.179 141 R HN -0.057 nan 8.270 nan 0.000 0.472 142 R N 0.573 121.096 120.500 0.039 0.000 2.670 142 R HA 0.304 4.643 4.340 -0.001 0.000 0.289 142 R C -0.912 175.426 176.300 0.063 0.000 0.965 142 R CA -0.521 55.607 56.100 0.047 0.000 0.899 142 R CB 2.210 32.555 30.300 0.074 0.000 1.173 142 R HN 0.675 nan 8.270 nan 0.000 0.456 143 S N 1.897 117.624 115.700 0.044 0.000 2.546 143 S HA 0.009 4.479 4.470 -0.001 0.000 0.290 143 S C 0.284 174.966 174.600 0.137 0.000 1.262 143 S CA -0.318 57.914 58.200 0.053 0.000 1.083 143 S CB 0.371 63.578 63.200 0.013 0.000 0.859 143 S HN 0.326 nan 8.310 nan 0.000 0.495 144 V N 6.213 126.187 119.914 0.099 0.000 2.475 144 V HA -0.007 4.113 4.120 -0.001 0.000 0.292 144 V C 1.458 177.629 176.094 0.128 0.000 1.003 144 V CA 0.682 63.034 62.300 0.087 0.000 1.120 144 V CB -0.581 31.252 31.823 0.017 0.000 0.937 144 V HN 1.059 nan 8.190 nan 0.000 0.476 145 H N 2.091 121.133 119.070 -0.046 0.000 3.734 145 H HA 0.290 4.846 4.556 -0.001 0.000 0.253 145 H C 0.331 175.613 175.328 -0.076 0.000 1.072 145 H CA -0.425 55.594 56.048 -0.049 0.000 1.147 145 H CB 0.572 30.311 29.762 -0.037 0.000 1.495 145 H HN 0.592 nan 8.280 nan 0.000 0.588 146 E N 4.118 123.911 120.200 -0.678 0.000 2.259 146 E HA 0.271 4.621 4.350 -0.001 0.000 0.281 146 E C -2.503 173.889 176.600 -0.347 0.000 1.037 146 E CA -1.876 54.197 56.400 -0.545 0.000 0.854 146 E CB 1.434 30.738 29.700 -0.658 0.000 1.051 146 E HN 0.292 nan 8.360 nan 0.000 0.409 147 P HA 0.087 nan 4.420 nan 0.000 0.281 147 P C -0.765 176.364 177.300 -0.286 0.000 1.249 147 P CA -0.462 62.503 63.100 -0.225 0.000 0.810 147 P CB 0.853 32.452 31.700 -0.168 0.000 1.008 148 V N 3.151 122.934 119.914 -0.219 0.000 2.239 148 V HA 0.147 4.267 4.120 -0.001 0.000 0.267 148 V C 0.305 176.307 176.094 -0.155 0.000 1.056 148 V CA -0.349 61.813 62.300 -0.230 0.000 0.830 148 V CB -0.130 31.592 31.823 -0.169 0.000 1.090 148 V HN 0.485 nan 8.190 nan 0.000 0.459 149 Q N 1.921 121.615 119.800 -0.176 0.000 2.257 149 Q HA 0.024 4.364 4.340 -0.001 0.000 0.273 149 Q C 1.581 177.612 176.000 0.051 0.000 1.153 149 Q CA 0.500 56.293 55.803 -0.016 0.000 0.922 149 Q CB 0.687 29.497 28.738 0.120 0.000 1.242 149 Q HN 0.896 nan 8.270 nan 0.000 0.409 150 T N -0.627 113.948 114.554 0.034 0.000 2.904 150 T HA 0.026 4.376 4.350 -0.001 0.000 0.267 150 T C 1.432 176.172 174.700 0.067 0.000 1.059 150 T CA 0.747 62.872 62.100 0.042 0.000 1.137 150 T CB 0.009 68.889 68.868 0.020 0.000 0.879 150 T HN 0.872 nan 8.240 nan 0.000 0.467 151 G N 0.974 109.818 108.800 0.072 0.000 2.175 151 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.244 151 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.244 151 G C -0.063 174.860 174.900 0.039 0.000 0.982 151 G CA 0.068 45.205 45.100 0.063 0.000 0.641 151 G HN 0.642 nan 8.290 nan 0.000 0.527 152 L N 1.047 122.289 121.223 0.032 0.000 2.260 152 L HA 0.394 4.734 4.340 -0.001 0.000 0.289 152 L C 1.784 178.670 176.870 0.025 0.000 1.057 152 L CA -0.736 54.117 54.840 0.023 0.000 0.811 152 L CB 1.142 43.211 42.059 0.016 0.000 1.184 152 L HN 0.074 nan 8.230 nan 0.000 0.429 153 K N 2.542 122.958 120.400 0.026 0.000 2.032 153 K HA -0.286 4.033 4.320 -0.001 0.000 0.218 153 K C 1.993 178.608 176.600 0.026 0.000 1.054 153 K CA 2.028 58.331 56.287 0.028 0.000 0.941 153 K CB -0.204 32.313 32.500 0.030 0.000 0.720 153 K HN 0.818 nan 8.250 nan 0.000 0.449 154 A N 0.813 123.648 122.820 0.025 0.000 1.940 154 A HA -0.134 4.186 4.320 -0.001 0.000 0.219 154 A C 2.375 179.976 177.584 0.028 0.000 1.176 154 A CA 1.650 53.703 52.037 0.027 0.000 0.631 154 A CB -0.552 18.467 19.000 0.030 0.000 0.814 154 A HN 0.110 nan 8.150 nan 0.000 0.446 155 V N 0.263 120.192 119.914 0.025 0.000 2.273 155 V HA -0.165 3.954 4.120 -0.001 0.000 0.242 155 V C 2.076 178.182 176.094 0.020 0.000 1.035 155 V CA 2.035 64.348 62.300 0.022 0.000 1.013 155 V CB -0.785 31.048 31.823 0.017 0.000 0.652 155 V HN 0.456 nan 8.190 nan 0.000 0.452 156 D N 0.278 120.691 120.400 0.020 0.000 2.218 156 D HA -0.077 4.563 4.640 -0.001 0.000 0.204 156 D C 2.029 178.341 176.300 0.020 0.000 0.976 156 D CA 1.522 55.533 54.000 0.018 0.000 0.853 156 D CB -0.036 40.780 40.800 0.026 0.000 0.939 156 D HN 0.457 nan 8.370 nan 0.000 0.481 157 A N 0.075 122.909 122.820 0.024 0.000 1.871 157 A HA 0.056 4.375 4.320 -0.001 0.000 0.211 157 A C 2.296 179.896 177.584 0.027 0.000 1.207 157 A CA 0.445 52.497 52.037 0.025 0.000 0.620 157 A CB -0.491 18.524 19.000 0.024 0.000 0.860 157 A HN 0.123 nan 8.150 nan 0.000 0.450 158 L N -0.638 120.603 121.223 0.029 0.000 2.084 158 L HA 0.061 4.400 4.340 -0.001 0.000 0.202 158 L C 0.032 176.922 176.870 0.032 0.000 1.074 158 L CA 0.614 55.475 54.840 0.035 0.000 0.757 158 L CB -0.015 42.069 42.059 0.041 0.000 0.918 158 L HN 0.123 nan 8.230 nan 0.000 0.444 159 V N 0.811 120.742 119.914 0.029 0.000 2.266 159 V HA 0.287 4.406 4.120 -0.001 0.000 0.266 159 V C -2.446 173.657 176.094 0.014 0.000 1.036 159 V CA -1.452 60.863 62.300 0.025 0.000 0.828 159 V CB 0.399 32.241 31.823 0.031 0.000 1.081 159 V HN 0.008 nan 8.190 nan 0.000 0.449 160 P HA 0.306 nan 4.420 nan 0.000 0.271 160 P C -0.349 176.943 177.300 -0.014 0.000 1.216 160 P CA 0.190 63.288 63.100 -0.004 0.000 0.771 160 P CB 0.710 32.407 31.700 -0.004 0.000 0.864 161 I N 2.221 122.775 120.570 -0.027 0.000 2.377 161 I HA 0.496 4.665 4.170 -0.001 0.000 0.293 161 I C 1.049 177.126 176.117 -0.066 0.000 0.987 161 I CA -0.447 60.830 61.300 -0.038 0.000 1.185 161 I CB 1.695 39.673 38.000 -0.038 0.000 1.341 161 I HN 0.308 nan 8.210 nan 0.000 0.455 162 G N 4.834 113.596 108.800 -0.064 0.000 2.434 162 G HA2 0.509 4.468 3.960 -0.001 0.000 0.330 162 G HA3 0.509 4.468 3.960 -0.001 0.000 0.330 162 G C -0.414 174.421 174.900 -0.108 0.000 1.155 162 G CA -0.842 44.203 45.100 -0.092 0.000 0.917 162 G HN 0.546 nan 8.290 nan 0.000 0.493 163 R N 0.066 120.469 120.500 -0.162 0.000 2.401 163 R HA 0.388 4.728 4.340 -0.001 0.000 0.299 163 R C 1.239 177.487 176.300 -0.086 0.000 1.064 163 R CA 1.112 57.115 56.100 -0.162 0.000 1.000 163 R CB 0.768 30.896 30.300 -0.288 0.000 0.973 163 R HN 1.074 nan 8.270 nan 0.000 0.438 164 G N 1.664 110.438 108.800 -0.043 0.000 2.234 164 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.235 164 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.235 164 G C 0.288 175.181 174.900 -0.011 0.000 0.997 164 G CA 0.152 45.246 45.100 -0.010 0.000 0.623 164 G HN 0.597 nan 8.290 nan 0.000 0.514 165 Q N 0.202 119.987 119.800 -0.025 0.000 2.471 165 Q HA 0.632 4.971 4.340 -0.001 0.000 0.223 165 Q C 0.019 176.010 176.000 -0.015 0.000 1.045 165 Q CA -0.346 55.447 55.803 -0.018 0.000 0.956 165 Q CB 0.372 29.096 28.738 -0.025 0.000 1.249 165 Q HN 0.403 nan 8.270 nan 0.000 0.549 166 R N 1.979 122.473 120.500 -0.010 0.000 2.472 166 R HA 0.190 4.529 4.340 -0.001 0.000 0.294 166 R C -1.548 174.749 176.300 -0.005 0.000 1.243 166 R CA -0.426 55.669 56.100 -0.008 0.000 1.023 166 R CB 1.336 31.630 30.300 -0.011 0.000 1.157 166 R HN 0.462 nan 8.270 nan 0.000 0.530 167 E N 2.893 123.090 120.200 -0.006 0.000 2.081 167 E HA 0.152 4.502 4.350 -0.001 0.000 0.276 167 E C -1.149 175.453 176.600 0.002 0.000 0.950 167 E CA -0.837 55.563 56.400 0.000 0.000 0.776 167 E CB 0.861 30.559 29.700 -0.003 0.000 1.094 167 E HN 0.288 nan 8.360 nan 0.000 0.402 168 L N 5.853 127.082 121.223 0.009 0.000 2.410 168 L HA 0.236 4.575 4.340 -0.001 0.000 0.273 168 L C -0.596 176.279 176.870 0.009 0.000 1.144 168 L CA 0.154 54.999 54.840 0.009 0.000 0.863 168 L CB 0.448 42.517 42.059 0.018 0.000 1.140 168 L HN 0.584 nan 8.230 nan 0.000 0.463 169 I N 7.596 128.161 120.570 -0.009 0.000 2.224 169 I HA 0.195 4.364 4.170 -0.001 0.000 0.293 169 I C 0.234 176.322 176.117 -0.049 0.000 1.155 169 I CA 0.102 61.386 61.300 -0.027 0.000 1.297 169 I CB -0.438 37.541 38.000 -0.035 0.000 1.487 169 I HN 0.580 nan 8.210 nan 0.000 0.564 170 I N 3.748 124.291 120.570 -0.044 0.000 2.385 170 I HA 0.750 4.919 4.170 -0.001 0.000 0.294 170 I C 0.425 176.374 176.117 -0.280 0.000 0.988 170 I CA 0.246 61.500 61.300 -0.076 0.000 1.265 170 I CB 1.617 39.642 38.000 0.040 0.000 1.388 170 I HN 0.580 nan 8.210 nan 0.000 0.480 171 G N 5.620 114.228 108.800 -0.321 0.000 2.340 171 G HA2 0.176 4.135 3.960 -0.001 0.000 0.299 171 G HA3 0.176 4.135 3.960 -0.001 0.000 0.299 171 G C -1.967 172.758 174.900 -0.292 0.000 1.291 171 G CA -0.644 44.139 45.100 -0.528 0.000 0.841 171 G HN 0.461 nan 8.290 nan 0.000 0.500 172 D N -0.032 120.202 120.400 -0.277 0.000 2.478 172 D HA 0.432 5.072 4.640 -0.001 0.000 0.263 172 D C 0.723 176.937 176.300 -0.143 0.000 1.153 172 D CA -0.445 53.467 54.000 -0.147 0.000 1.038 172 D CB 0.935 41.679 40.800 -0.093 0.000 1.120 172 D HN 0.686 nan 8.370 nan 0.000 0.564 173 R N -0.118 120.330 120.500 -0.087 0.000 2.623 173 R HA 0.066 4.406 4.340 -0.001 0.000 0.271 173 R C -0.329 175.891 176.300 -0.134 0.000 1.043 173 R CA -0.082 55.970 56.100 -0.080 0.000 1.083 173 R CB -0.091 30.193 30.300 -0.028 0.000 0.974 173 R HN 0.346 nan 8.270 nan 0.000 0.436 174 Q N 0.035 119.743 119.800 -0.153 0.000 2.451 174 Q HA -0.204 4.135 4.340 -0.001 0.000 0.305 174 Q C 0.138 175.825 176.000 -0.522 0.000 1.345 174 Q CA 1.270 56.937 55.803 -0.226 0.000 0.854 174 Q CB -1.347 27.329 28.738 -0.105 0.000 1.162 174 Q HN 1.013 nan 8.270 nan 0.000 0.440 175 T N -6.109 108.116 114.554 -0.548 0.000 2.969 175 T HA 0.456 4.805 4.350 -0.001 0.000 0.250 175 T C 1.213 175.499 174.700 -0.690 0.000 1.021 175 T CA 0.639 62.251 62.100 -0.815 0.000 1.003 175 T CB 1.176 69.751 68.868 -0.488 0.000 1.040 175 T HN 0.914 nan 8.240 nan 0.000 0.492 176 G N 1.446 110.009 108.800 -0.394 0.000 2.173 176 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.142 176 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.142 176 G C 0.708 175.526 174.900 -0.136 0.000 1.019 176 G CA 0.166 45.137 45.100 -0.215 0.000 0.699 176 G HN 0.444 nan 8.290 nan 0.000 0.495 177 K N -0.057 120.255 120.400 -0.146 0.000 2.020 177 K HA -0.129 4.190 4.320 -0.001 0.000 0.212 177 K C 2.498 179.071 176.600 -0.046 0.000 1.050 177 K CA 2.116 58.343 56.287 -0.099 0.000 0.929 177 K CB -0.304 32.135 32.500 -0.102 0.000 0.714 177 K HN 0.345 nan 8.250 nan 0.000 0.443 178 T N 0.855 115.396 114.554 -0.022 0.000 2.857 178 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 178 T C 2.011 176.727 174.700 0.027 0.000 1.048 178 T CA 1.111 63.237 62.100 0.042 0.000 1.139 178 T CB -0.230 68.685 68.868 0.077 0.000 0.874 178 T HN 0.332 nan 8.240 nan 0.000 0.455 179 A N 1.109 123.916 122.820 -0.021 0.000 1.940 179 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 179 A C 2.562 180.117 177.584 -0.048 0.000 1.176 179 A CA 1.444 53.449 52.037 -0.053 0.000 0.631 179 A CB -1.070 17.880 19.000 -0.084 0.000 0.814 179 A HN 0.355 nan 8.150 nan 0.000 0.446 180 V N -0.387 119.506 119.914 -0.035 0.000 2.270 180 V HA -0.209 3.910 4.120 -0.001 0.000 0.245 180 V C 3.079 179.173 176.094 0.001 0.000 1.043 180 V CA 1.927 64.214 62.300 -0.022 0.000 1.014 180 V CB -1.216 30.593 31.823 -0.025 0.000 0.645 180 V HN 0.618 nan 8.190 nan 0.000 0.447 181 A N -0.345 122.484 122.820 0.015 0.000 1.940 181 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 181 A C 2.154 179.779 177.584 0.068 0.000 1.176 181 A CA 2.214 54.274 52.037 0.039 0.000 0.631 181 A CB -0.592 18.436 19.000 0.048 0.000 0.814 181 A HN 0.457 nan 8.150 nan 0.000 0.446 182 L N 0.256 121.521 121.223 0.070 0.000 1.994 182 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 182 L C 1.675 178.571 176.870 0.044 0.000 1.071 182 L CA 2.695 57.574 54.840 0.064 0.000 0.745 182 L CB -0.835 41.258 42.059 0.058 0.000 0.892 182 L HN 0.355 nan 8.230 nan 0.000 0.431 183 D N -1.025 119.387 120.400 0.021 0.000 2.190 183 D HA -0.185 4.454 4.640 -0.001 0.000 0.200 183 D C 2.045 178.369 176.300 0.040 0.000 0.992 183 D CA 1.692 55.702 54.000 0.016 0.000 0.854 183 D CB -0.242 40.551 40.800 -0.013 0.000 0.936 183 D HN 0.417 nan 8.370 nan 0.000 0.462 184 T N 0.404 114.984 114.554 0.043 0.000 2.674 184 T HA -0.111 4.238 4.350 -0.001 0.000 0.265 184 T C 2.118 176.870 174.700 0.086 0.000 1.039 184 T CA 0.733 62.866 62.100 0.055 0.000 1.150 184 T CB -0.324 68.565 68.868 0.035 0.000 0.864 184 T HN 0.189 nan 8.240 nan 0.000 0.427 185 I N 0.784 121.412 120.570 0.096 0.000 2.335 185 I HA -0.153 4.016 4.170 -0.001 0.000 0.251 185 I C 2.267 178.503 176.117 0.199 0.000 1.129 185 I CA 1.163 62.556 61.300 0.154 0.000 1.402 185 I CB -0.454 37.623 38.000 0.128 0.000 1.069 185 I HN 0.212 nan 8.210 nan 0.000 0.424 186 L N 0.355 121.646 121.223 0.113 0.000 2.093 186 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 186 L C 2.238 179.184 176.870 0.127 0.000 1.085 186 L CA 1.190 56.086 54.840 0.092 0.000 0.755 186 L CB -0.608 41.442 42.059 -0.014 0.000 0.904 186 L HN 0.302 nan 8.230 nan 0.000 0.435 187 N N -0.276 118.493 118.700 0.116 0.000 2.520 187 N HA -0.169 4.570 4.740 -0.001 0.000 0.185 187 N C 1.720 177.333 175.510 0.172 0.000 1.068 187 N CA 0.745 53.862 53.050 0.112 0.000 0.911 187 N CB 0.119 38.685 38.487 0.132 0.000 0.961 187 N HN 0.227 nan 8.380 nan 0.000 0.446 188 Q N 0.267 120.195 119.800 0.213 0.000 2.436 188 Q HA -0.006 4.333 4.340 -0.001 0.000 0.209 188 Q C 1.404 177.414 176.000 0.016 0.000 0.965 188 Q CA 0.507 56.431 55.803 0.201 0.000 0.910 188 Q CB -0.026 28.698 28.738 -0.022 0.000 0.980 188 Q HN 0.491 nan 8.270 nan 0.000 0.491 189 K N 0.687 121.120 120.400 0.056 0.000 2.113 189 K HA -0.127 4.192 4.320 -0.001 0.000 0.208 189 K C 1.956 178.473 176.600 -0.138 0.000 1.047 189 K CA 0.986 57.292 56.287 0.031 0.000 0.928 189 K CB -0.098 32.464 32.500 0.104 0.000 0.716 189 K HN 0.179 nan 8.250 nan 0.000 0.446 190 R N -0.556 119.745 120.500 -0.333 0.000 2.200 190 R HA -0.143 4.197 4.340 -0.001 0.000 0.234 190 R C 1.626 177.497 176.300 -0.715 0.000 1.127 190 R CA 1.221 56.916 56.100 -0.675 0.000 0.989 190 R CB -0.018 29.554 30.300 -1.213 0.000 0.869 190 R HN 0.433 nan 8.270 nan 0.000 0.459 191 W N -0.960 120.250 121.300 -0.150 0.000 3.063 191 W HA 0.198 4.857 4.660 -0.001 0.000 0.246 191 W C 1.160 177.551 176.519 -0.214 0.000 1.145 191 W CA -0.526 56.719 57.345 -0.167 0.000 1.510 191 W CB -0.405 28.945 29.460 -0.184 0.000 0.904 191 W HN 0.015 nan 8.180 nan 0.000 0.679 192 N N 1.297 119.938 118.700 -0.098 0.000 2.520 192 N HA -0.105 4.634 4.740 -0.001 0.000 0.185 192 N C 0.926 176.388 175.510 -0.080 0.000 1.068 192 N CA 0.869 53.768 53.050 -0.252 0.000 0.911 192 N CB -0.464 37.595 38.487 -0.713 0.000 0.961 192 N HN 0.136 nan 8.380 nan 0.000 0.446 193 N N -0.179 118.494 118.700 -0.045 0.000 2.353 193 N HA 0.054 4.794 4.740 -0.001 0.000 0.185 193 N C 0.970 176.473 175.510 -0.012 0.000 1.098 193 N CA 0.113 53.159 53.050 -0.008 0.000 0.872 193 N CB 0.321 38.798 38.487 -0.016 0.000 0.970 193 N HN 0.134 nan 8.380 nan 0.000 0.467 194 G N -0.506 108.285 108.800 -0.014 0.000 2.588 194 G HA2 0.279 4.238 3.960 -0.001 0.000 0.281 194 G HA3 0.279 4.238 3.960 -0.001 0.000 0.281 194 G C 0.621 175.535 174.900 0.023 0.000 1.236 194 G CA -0.291 44.811 45.100 0.004 0.000 0.969 194 G HN 0.070 nan 8.290 nan 0.000 0.504 195 S N -1.020 114.698 115.700 0.030 0.000 2.441 195 S HA 0.033 4.503 4.470 -0.001 0.000 0.224 195 S C 0.712 175.340 174.600 0.046 0.000 1.043 195 S CA 0.142 58.365 58.200 0.037 0.000 0.948 195 S CB 0.013 63.231 63.200 0.030 0.000 0.810 195 S HN 0.655 nan 8.310 nan 0.000 0.504 196 D N 2.180 122.609 120.400 0.048 0.000 2.401 196 D HA 0.058 4.697 4.640 -0.001 0.000 0.254 196 D C 0.882 177.211 176.300 0.049 0.000 1.192 196 D CA 0.247 54.277 54.000 0.051 0.000 0.885 196 D CB 0.540 41.373 40.800 0.055 0.000 1.147 196 D HN 0.028 nan 8.370 nan 0.000 0.478 197 E N 1.547 121.781 120.200 0.057 0.000 2.285 197 E HA -0.095 4.254 4.350 -0.001 0.000 0.194 197 E C 1.722 178.356 176.600 0.058 0.000 0.997 197 E CA 0.400 56.842 56.400 0.069 0.000 0.845 197 E CB 0.039 29.803 29.700 0.107 0.000 0.782 197 E HN 0.577 nan 8.360 nan 0.000 0.491 198 S N 0.422 116.157 115.700 0.058 0.000 2.481 198 S HA 0.013 4.482 4.470 -0.001 0.000 0.231 198 S C 1.705 176.362 174.600 0.096 0.000 0.996 198 S CA 0.542 58.801 58.200 0.098 0.000 0.942 198 S CB 0.048 63.294 63.200 0.078 0.000 0.768 198 S HN 0.092 nan 8.310 nan 0.000 0.520 199 K N 0.651 121.052 120.400 0.002 0.000 2.352 199 K HA 0.229 4.548 4.320 -0.001 0.000 0.194 199 K C 0.382 176.857 176.600 -0.208 0.000 1.038 199 K CA 0.027 56.230 56.287 -0.140 0.000 1.023 199 K CB 0.223 32.698 32.500 -0.042 0.000 0.840 199 K HN 0.314 nan 8.250 nan 0.000 0.519 200 K N 1.208 121.539 120.400 -0.116 0.000 2.336 200 K HA 0.088 4.408 4.320 -0.001 0.000 0.262 200 K C -0.432 175.965 176.600 -0.339 0.000 0.992 200 K CA 0.039 56.168 56.287 -0.264 0.000 0.927 200 K CB 0.451 32.718 32.500 -0.389 0.000 0.956 200 K HN -0.138 nan 8.250 nan 0.000 0.495 201 L N 2.954 123.879 121.223 -0.498 0.000 2.549 201 L HA 0.236 4.575 4.340 -0.001 0.000 0.260 201 L C -1.599 175.022 176.870 -0.414 0.000 1.109 201 L CA -0.291 54.327 54.840 -0.370 0.000 0.900 201 L CB 0.319 42.203 42.059 -0.292 0.000 1.119 201 L HN 0.435 nan 8.230 nan 0.000 0.471 202 Y N 1.906 122.039 120.300 -0.278 0.000 2.550 202 Y HA 0.378 4.927 4.550 -0.001 0.000 0.343 202 Y C 0.975 176.762 175.900 -0.188 0.000 1.245 202 Y CA 0.149 58.063 58.100 -0.310 0.000 1.462 202 Y CB 0.459 38.428 38.460 -0.818 0.000 1.340 202 Y HN 0.490 nan 8.280 nan 0.000 0.604 203 C N 1.157 120.534 119.300 0.129 0.000 2.667 203 C HA 0.809 5.269 4.460 -0.001 0.000 0.323 203 C C -0.569 174.468 174.990 0.079 0.000 1.214 203 C CA -1.067 58.008 59.018 0.096 0.000 1.721 203 C CB 1.547 29.384 27.740 0.162 0.000 2.275 203 C HN 0.544 nan 8.230 nan 0.000 0.491 204 V N 1.820 121.758 119.914 0.041 0.000 2.509 204 V HA 0.244 4.364 4.120 -0.001 0.000 0.289 204 V C -1.367 174.721 176.094 -0.010 0.000 1.026 204 V CA -0.418 61.900 62.300 0.029 0.000 0.872 204 V CB 0.970 32.795 31.823 0.004 0.000 1.017 204 V HN 0.811 nan 8.190 nan 0.000 0.436 205 Y N 5.051 125.312 120.300 -0.066 0.000 2.367 205 Y HA 0.600 5.150 4.550 -0.001 0.000 0.342 205 Y C -0.040 175.820 175.900 -0.067 0.000 0.979 205 Y CA -0.544 57.510 58.100 -0.077 0.000 1.161 205 Y CB 1.566 39.998 38.460 -0.045 0.000 1.155 205 Y HN 0.427 nan 8.280 nan 0.000 0.503 206 V N 6.602 126.315 119.914 -0.335 0.000 2.288 206 V HA 0.470 4.589 4.120 -0.001 0.000 0.266 206 V C 0.222 176.231 176.094 -0.141 0.000 1.048 206 V CA -0.783 61.427 62.300 -0.150 0.000 0.842 206 V CB 0.343 32.089 31.823 -0.128 0.000 1.064 206 V HN 0.936 nan 8.190 nan 0.000 0.472 207 A N 5.267 128.145 122.820 0.097 0.000 2.437 207 A HA 0.587 4.906 4.320 -0.001 0.000 0.303 207 A C -0.144 177.498 177.584 0.098 0.000 1.324 207 A CA -0.180 51.956 52.037 0.164 0.000 0.983 207 A CB 0.043 19.207 19.000 0.273 0.000 1.142 207 A HN 0.653 nan 8.150 nan 0.000 0.541 208 V N 3.148 123.102 119.914 0.066 0.000 2.313 208 V HA 0.616 4.736 4.120 -0.001 0.000 0.278 208 V C 1.206 177.349 176.094 0.081 0.000 1.017 208 V CA 0.720 63.065 62.300 0.076 0.000 0.823 208 V CB 0.263 32.125 31.823 0.065 0.000 1.010 208 V HN 1.583 nan 8.190 nan 0.000 0.443 209 G N 3.992 112.844 108.800 0.088 0.000 2.308 209 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.221 209 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.221 209 G C 0.308 175.253 174.900 0.075 0.000 1.032 209 G CA -0.029 45.121 45.100 0.082 0.000 0.623 209 G HN 0.597 nan 8.290 nan 0.000 0.506 210 Q N 1.550 121.398 119.800 0.081 0.000 2.414 210 Q HA 0.315 4.655 4.340 -0.001 0.000 0.288 210 Q C 0.692 176.732 176.000 0.066 0.000 1.086 210 Q CA 0.943 56.793 55.803 0.078 0.000 0.943 210 Q CB 0.330 29.129 28.738 0.101 0.000 1.282 210 Q HN 0.729 nan 8.270 nan 0.000 0.438 211 K N 1.514 121.947 120.400 0.055 0.000 2.218 211 K HA 0.177 4.496 4.320 -0.001 0.000 0.276 211 K C 0.321 176.946 176.600 0.041 0.000 1.022 211 K CA -0.509 55.805 56.287 0.045 0.000 0.946 211 K CB 1.054 33.577 32.500 0.038 0.000 1.000 211 K HN 0.434 nan 8.250 nan 0.000 0.468 212 R N 1.232 121.754 120.500 0.037 0.000 2.119 212 R HA -0.205 4.135 4.340 -0.001 0.000 0.246 212 R C 2.090 178.403 176.300 0.021 0.000 1.146 212 R CA 2.367 58.485 56.100 0.030 0.000 0.962 212 R CB -0.434 29.882 30.300 0.026 0.000 0.863 212 R HN 0.788 nan 8.270 nan 0.000 0.442 213 S N -0.236 115.476 115.700 0.020 0.000 2.368 213 S HA -0.210 4.259 4.470 -0.001 0.000 0.226 213 S C 1.960 176.568 174.600 0.012 0.000 1.044 213 S CA 2.118 60.327 58.200 0.015 0.000 1.062 213 S CB -0.529 62.682 63.200 0.018 0.000 0.931 213 S HN 0.450 nan 8.310 nan 0.000 0.440 214 T N 2.282 116.847 114.554 0.020 0.000 2.708 214 T HA -0.069 4.281 4.350 -0.001 0.000 0.266 214 T C 2.000 176.699 174.700 -0.001 0.000 1.037 214 T CA 1.433 63.543 62.100 0.017 0.000 1.146 214 T CB -0.604 68.285 68.868 0.034 0.000 0.865 214 T HN 0.240 nan 8.240 nan 0.000 0.435 215 V N 1.974 121.894 119.914 0.009 0.000 2.332 215 V HA -0.187 3.932 4.120 -0.001 0.000 0.248 215 V C 2.938 179.009 176.094 -0.039 0.000 1.055 215 V CA 1.683 63.976 62.300 -0.011 0.000 1.038 215 V CB -1.362 30.476 31.823 0.025 0.000 0.651 215 V HN 0.547 nan 8.190 nan 0.000 0.450 216 A N -0.536 122.272 122.820 -0.020 0.000 1.902 216 A HA -0.285 4.035 4.320 -0.001 0.000 0.217 216 A C 2.202 179.765 177.584 -0.036 0.000 1.181 216 A CA 2.054 54.076 52.037 -0.026 0.000 0.623 216 A CB -0.546 18.446 19.000 -0.013 0.000 0.818 216 A HN 0.521 nan 8.150 nan 0.000 0.443 217 Q N -0.686 119.097 119.800 -0.028 0.000 2.096 217 Q HA -0.149 4.190 4.340 -0.001 0.000 0.204 217 Q C 1.874 177.845 176.000 -0.048 0.000 0.982 217 Q CA 1.731 57.519 55.803 -0.026 0.000 0.850 217 Q CB -0.464 28.271 28.738 -0.006 0.000 0.901 217 Q HN 0.563 nan 8.270 nan 0.000 0.422 218 L N -0.923 120.252 121.223 -0.079 0.000 1.994 218 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 218 L C 2.088 178.875 176.870 -0.139 0.000 1.071 218 L CA 1.466 56.223 54.840 -0.140 0.000 0.745 218 L CB -0.651 41.244 42.059 -0.273 0.000 0.892 218 L HN 0.136 nan 8.230 nan 0.000 0.431 219 V N -0.462 119.377 119.914 -0.125 0.000 2.231 219 V HA -0.412 3.707 4.120 -0.001 0.000 0.248 219 V C 2.527 178.571 176.094 -0.083 0.000 1.054 219 V CA 2.312 64.549 62.300 -0.106 0.000 1.015 219 V CB -0.845 30.931 31.823 -0.078 0.000 0.638 219 V HN 0.641 nan 8.190 nan 0.000 0.444 220 Q N -0.597 119.162 119.800 -0.067 0.000 2.181 220 Q HA -0.222 4.117 4.340 -0.001 0.000 0.205 220 Q C 2.181 178.144 176.000 -0.062 0.000 0.980 220 Q CA 2.152 57.920 55.803 -0.059 0.000 0.862 220 Q CB -0.138 28.571 28.738 -0.049 0.000 0.905 220 Q HN 0.746 nan 8.270 nan 0.000 0.429 221 T N 0.724 115.241 114.554 -0.062 0.000 2.812 221 T HA -0.052 4.298 4.350 -0.001 0.000 0.264 221 T C 1.695 176.399 174.700 0.007 0.000 1.042 221 T CA 0.813 62.880 62.100 -0.053 0.000 1.140 221 T CB -0.074 68.749 68.868 -0.074 0.000 0.870 221 T HN 0.249 nan 8.240 nan 0.000 0.445 222 L N 0.674 121.867 121.223 -0.051 0.000 2.275 222 L HA -0.031 4.309 4.340 -0.001 0.000 0.215 222 L C 2.673 179.514 176.870 -0.048 0.000 1.119 222 L CA 0.969 55.772 54.840 -0.063 0.000 0.790 222 L CB -0.322 41.660 42.059 -0.128 0.000 0.919 222 L HN 0.201 nan 8.230 nan 0.000 0.443 223 E N 0.407 120.573 120.200 -0.055 0.000 2.076 223 E HA -0.183 4.167 4.350 -0.001 0.000 0.190 223 E C 1.946 178.502 176.600 -0.074 0.000 0.979 223 E CA 1.017 57.378 56.400 -0.066 0.000 0.807 223 E CB 0.051 29.711 29.700 -0.066 0.000 0.761 223 E HN 0.401 nan 8.360 nan 0.000 0.454 224 Q N -1.030 118.714 119.800 -0.093 0.000 2.515 224 Q HA -0.054 4.285 4.340 -0.001 0.000 0.214 224 Q C 0.338 176.104 176.000 -0.389 0.000 0.971 224 Q CA 0.592 56.267 55.803 -0.212 0.000 0.952 224 Q CB 0.050 28.637 28.738 -0.251 0.000 0.999 224 Q HN 0.430 nan 8.270 nan 0.000 0.524 225 H N -1.903 117.103 119.070 -0.107 0.000 3.398 225 H HA 0.055 4.610 4.556 -0.001 0.000 0.260 225 H C -0.415 174.873 175.328 -0.066 0.000 1.189 225 H CA -0.038 55.960 56.048 -0.083 0.000 1.145 225 H CB 0.852 30.564 29.762 -0.083 0.000 1.599 225 H HN 0.119 nan 8.280 nan 0.000 0.615 226 D N 0.251 120.650 120.400 -0.003 0.000 2.983 226 D HA -0.227 4.412 4.640 -0.001 0.000 0.225 226 D C 0.918 177.175 176.300 -0.072 0.000 1.174 226 D CA 0.866 54.849 54.000 -0.028 0.000 0.831 226 D CB -0.882 39.918 40.800 0.001 0.000 1.104 226 D HN 0.529 nan 8.370 nan 0.000 0.421 227 A N -0.784 121.943 122.820 -0.156 0.000 2.308 227 A HA 0.211 4.530 4.320 -0.001 0.000 0.217 227 A C 1.799 178.926 177.584 -0.762 0.000 1.216 227 A CA 0.221 51.946 52.037 -0.519 0.000 0.864 227 A CB 0.031 18.898 19.000 -0.220 0.000 0.902 227 A HN 0.342 nan 8.150 nan 0.000 0.499 228 M N 0.425 119.798 119.600 -0.379 0.000 2.541 228 M HA 0.018 4.497 4.480 -0.001 0.000 0.252 228 M C 1.795 177.960 176.300 -0.225 0.000 1.125 228 M CA 1.113 56.250 55.300 -0.271 0.000 1.091 228 M CB -0.457 32.052 32.600 -0.151 0.000 1.420 228 M HN 0.656 nan 8.290 nan 0.000 0.486 229 K N -0.150 120.115 120.400 -0.225 0.000 2.366 229 K HA -0.118 4.202 4.320 -0.001 0.000 0.198 229 K C 0.576 177.202 176.600 0.044 0.000 1.044 229 K CA 1.120 57.370 56.287 -0.062 0.000 0.973 229 K CB -0.358 32.148 32.500 0.009 0.000 0.767 229 K HN 0.423 nan 8.250 nan 0.000 0.475 230 Y N -0.766 119.579 120.300 0.074 0.000 2.706 230 Y HA 0.529 5.078 4.550 -0.001 0.000 0.255 230 Y C -0.587 175.374 175.900 0.103 0.000 1.163 230 Y CA -1.257 56.920 58.100 0.130 0.000 1.174 230 Y CB 0.136 38.660 38.460 0.106 0.000 1.200 230 Y HN -0.131 nan 8.280 nan 0.000 0.544 231 S N 1.211 116.912 115.700 0.002 0.000 2.566 231 S HA 0.759 5.228 4.470 -0.001 0.000 0.298 231 S C -0.786 173.838 174.600 0.040 0.000 1.083 231 S CA -0.711 57.507 58.200 0.030 0.000 0.978 231 S CB 1.881 65.034 63.200 -0.078 0.000 1.073 231 S HN 0.270 nan 8.310 nan 0.000 0.491 232 I N 2.209 122.820 120.570 0.067 0.000 2.478 232 I HA 0.390 4.559 4.170 -0.001 0.000 0.287 232 I C -1.469 174.690 176.117 0.070 0.000 1.042 232 I CA -0.611 60.725 61.300 0.060 0.000 1.067 232 I CB 1.472 39.520 38.000 0.081 0.000 1.233 232 I HN 0.393 nan 8.210 nan 0.000 0.431 233 I N 7.091 127.693 120.570 0.054 0.000 2.321 233 I HA 0.262 4.431 4.170 -0.001 0.000 0.291 233 I C -0.033 176.129 176.117 0.075 0.000 0.998 233 I CA -0.436 60.916 61.300 0.088 0.000 1.227 233 I CB 1.538 39.565 38.000 0.046 0.000 1.368 233 I HN 0.169 nan 8.210 nan 0.000 0.466 234 V N 6.170 126.139 119.914 0.092 0.000 2.370 234 V HA 0.712 4.831 4.120 -0.001 0.000 0.279 234 V C 0.298 176.445 176.094 0.088 0.000 1.029 234 V CA -0.603 61.738 62.300 0.069 0.000 0.870 234 V CB 1.257 33.111 31.823 0.052 0.000 0.984 234 V HN 0.815 nan 8.190 nan 0.000 0.451 235 A N 4.468 127.332 122.820 0.073 0.000 2.285 235 A HA 0.811 5.131 4.320 -0.001 0.000 0.310 235 A C 0.199 177.829 177.584 0.076 0.000 1.266 235 A CA -0.282 51.803 52.037 0.080 0.000 0.832 235 A CB 0.949 19.987 19.000 0.064 0.000 1.163 235 A HN 1.210 nan 8.150 nan 0.000 0.499 236 A N 3.388 126.261 122.820 0.088 0.000 2.938 236 A HA 0.579 4.898 4.320 -0.001 0.000 0.344 236 A C 0.703 178.343 177.584 0.093 0.000 1.142 236 A CA 0.105 52.200 52.037 0.095 0.000 0.841 236 A CB -0.678 18.388 19.000 0.111 0.000 1.083 236 A HN 1.207 nan 8.150 nan 0.000 0.479 237 T N -1.608 112.995 114.554 0.082 0.000 2.701 237 T HA 0.401 4.751 4.350 -0.001 0.000 0.303 237 T C 1.488 176.233 174.700 0.075 0.000 1.030 237 T CA 0.156 62.301 62.100 0.075 0.000 1.010 237 T CB 0.800 69.705 68.868 0.062 0.000 1.007 237 T HN 0.986 nan 8.240 nan 0.000 0.532 238 A N 0.163 123.023 122.820 0.066 0.000 2.067 238 A HA 0.028 4.347 4.320 -0.001 0.000 0.219 238 A C 2.630 180.248 177.584 0.057 0.000 1.158 238 A CA 1.741 53.816 52.037 0.063 0.000 0.661 238 A CB -1.272 17.761 19.000 0.055 0.000 0.801 238 A HN 0.884 nan 8.150 nan 0.000 0.452 239 S N -0.293 115.439 115.700 0.054 0.000 2.345 239 S HA -0.060 4.409 4.470 -0.001 0.000 0.219 239 S C 0.858 175.492 174.600 0.057 0.000 1.031 239 S CA 0.457 58.686 58.200 0.048 0.000 0.984 239 S CB -0.348 62.877 63.200 0.042 0.000 0.874 239 S HN 0.669 nan 8.310 nan 0.000 0.451 240 E N 1.391 121.633 120.200 0.069 0.000 2.436 240 E HA 0.346 4.695 4.350 -0.001 0.000 0.262 240 E C 0.384 177.042 176.600 0.097 0.000 1.063 240 E CA -0.066 56.386 56.400 0.087 0.000 0.944 240 E CB 0.341 30.100 29.700 0.099 0.000 0.950 240 E HN 0.554 nan 8.360 nan 0.000 0.444 241 A N 1.691 124.580 122.820 0.114 0.000 2.455 241 A HA 0.189 4.508 4.320 -0.001 0.000 0.244 241 A C 1.267 178.919 177.584 0.113 0.000 1.099 241 A CA 0.622 52.718 52.037 0.098 0.000 0.786 241 A CB 0.033 19.092 19.000 0.098 0.000 1.051 241 A HN 0.777 nan 8.150 nan 0.000 0.508 242 A N 0.391 123.257 122.820 0.077 0.000 1.873 242 A HA 0.037 4.356 4.320 -0.001 0.000 0.215 242 A C -0.133 177.548 177.584 0.162 0.000 1.186 242 A CA 1.873 53.969 52.037 0.099 0.000 0.616 242 A CB -1.759 17.267 19.000 0.043 0.000 0.823 242 A HN 0.602 nan 8.150 nan 0.000 0.442 243 P HA -0.150 nan 4.420 nan 0.000 0.217 243 P C 1.365 178.909 177.300 0.405 0.000 1.148 243 P CA 0.906 64.117 63.100 0.185 0.000 0.828 243 P CB -0.151 31.438 31.700 -0.184 0.000 0.783 244 L N -1.024 120.424 121.223 0.376 0.000 2.093 244 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 244 L C 2.467 179.487 176.870 0.250 0.000 1.085 244 L CA 1.501 56.549 54.840 0.347 0.000 0.755 244 L CB -0.876 41.353 42.059 0.282 0.000 0.904 244 L HN 0.029 nan 8.230 nan 0.000 0.435 245 Q N -1.378 118.563 119.800 0.235 0.000 2.311 245 Q HA -0.191 4.148 4.340 -0.001 0.000 0.203 245 Q C 1.932 178.080 176.000 0.245 0.000 0.954 245 Q CA 1.082 57.006 55.803 0.201 0.000 0.885 245 Q CB -0.093 28.751 28.738 0.177 0.000 0.963 245 Q HN 0.517 nan 8.270 nan 0.000 0.471 246 Y N 0.907 121.322 120.300 0.192 0.000 2.220 246 Y HA -0.087 4.462 4.550 -0.001 0.000 0.291 246 Y C 1.587 177.642 175.900 0.259 0.000 1.129 246 Y CA 1.106 59.343 58.100 0.229 0.000 1.161 246 Y CB -0.029 38.576 38.460 0.242 0.000 0.997 246 Y HN -0.040 nan 8.280 nan 0.000 0.522 247 L N -0.111 121.131 121.223 0.032 0.000 2.209 247 L HA 0.007 4.346 4.340 -0.001 0.000 0.207 247 L C 2.815 179.731 176.870 0.077 0.000 1.094 247 L CA 0.699 55.515 54.840 -0.040 0.000 0.790 247 L CB -0.982 41.157 42.059 0.133 0.000 0.932 247 L HN 0.314 nan 8.230 nan 0.000 0.447 248 A N 1.239 124.119 122.820 0.101 0.000 1.894 248 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 248 A C -0.066 177.568 177.584 0.082 0.000 1.237 248 A CA 2.562 54.654 52.037 0.091 0.000 0.660 248 A CB -2.091 16.965 19.000 0.095 0.000 0.835 248 A HN 0.274 nan 8.150 nan 0.000 0.461 249 P HA -0.113 nan 4.420 nan 0.000 0.214 249 P C 1.230 178.519 177.300 -0.019 0.000 1.163 249 P CA 1.247 64.367 63.100 0.034 0.000 0.883 249 P CB -0.255 31.240 31.700 -0.341 0.000 0.788 250 F N -0.300 119.580 119.950 -0.116 0.000 2.065 250 F HA -0.225 4.301 4.527 -0.001 0.000 0.298 250 F C 2.462 178.240 175.800 -0.037 0.000 1.112 250 F CA 1.907 59.840 58.000 -0.113 0.000 1.212 250 F CB -1.885 36.990 39.000 -0.209 0.000 0.975 250 F HN -0.096 nan 8.300 nan 0.000 0.476 251 T N -0.039 114.614 114.554 0.164 0.000 2.635 251 T HA -0.288 4.061 4.350 -0.001 0.000 0.267 251 T C 2.219 176.966 174.700 0.079 0.000 1.040 251 T CA 1.665 63.824 62.100 0.098 0.000 1.156 251 T CB -0.807 68.103 68.868 0.071 0.000 0.863 251 T HN 0.337 nan 8.240 nan 0.000 0.430 252 A N 1.293 124.158 122.820 0.075 0.000 1.933 252 A HA 0.174 4.493 4.320 -0.001 0.000 0.218 252 A C 2.628 180.247 177.584 0.059 0.000 1.175 252 A CA 1.799 53.867 52.037 0.053 0.000 0.628 252 A CB -1.059 17.954 19.000 0.022 0.000 0.814 252 A HN 0.526 nan 8.150 nan 0.000 0.444 253 A N -0.504 122.366 122.820 0.084 0.000 2.024 253 A HA -0.068 4.251 4.320 -0.001 0.000 0.220 253 A C 2.354 179.990 177.584 0.087 0.000 1.164 253 A CA 2.073 54.161 52.037 0.086 0.000 0.643 253 A CB -0.597 18.439 19.000 0.061 0.000 0.806 253 A HN 0.467 nan 8.150 nan 0.000 0.451 254 S N -0.230 115.524 115.700 0.089 0.000 2.388 254 S HA -0.007 4.462 4.470 -0.001 0.000 0.223 254 S C 1.756 176.418 174.600 0.103 0.000 1.034 254 S CA 0.870 59.125 58.200 0.091 0.000 0.963 254 S CB -0.257 62.990 63.200 0.078 0.000 0.827 254 S HN 0.479 nan 8.310 nan 0.000 0.481 255 I N 2.128 122.749 120.570 0.084 0.000 2.194 255 I HA -0.154 4.015 4.170 -0.001 0.000 0.246 255 I C 2.513 178.738 176.117 0.180 0.000 1.093 255 I CA 1.693 63.038 61.300 0.075 0.000 1.355 255 I CB -1.931 36.107 38.000 0.062 0.000 1.046 255 I HN 0.376 nan 8.210 nan 0.000 0.413 256 G N -0.259 108.679 108.800 0.230 0.000 2.453 256 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.215 256 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.215 256 G C 1.571 176.684 174.900 0.354 0.000 1.147 256 G CA 0.355 45.686 45.100 0.384 0.000 0.802 256 G HN 0.441 nan 8.290 nan 0.000 0.535 257 E N -0.569 119.755 120.200 0.207 0.000 2.265 257 E HA -0.162 4.188 4.350 -0.001 0.000 0.196 257 E C 1.856 178.533 176.600 0.129 0.000 0.996 257 E CA 0.612 57.099 56.400 0.144 0.000 0.832 257 E CB -0.230 29.526 29.700 0.094 0.000 0.756 257 E HN 0.636 nan 8.360 nan 0.000 0.491 258 W N -0.117 121.139 121.300 -0.073 0.000 2.358 258 W HA -0.214 4.445 4.660 -0.001 0.000 0.303 258 W C 1.347 177.730 176.519 -0.227 0.000 1.208 258 W CA 1.622 58.839 57.345 -0.214 0.000 1.274 258 W CB -0.319 28.905 29.460 -0.395 0.000 1.138 258 W HN 0.074 nan 8.180 nan 0.000 0.515 259 F N 0.368 120.516 119.950 0.330 0.000 2.134 259 F HA -0.124 4.403 4.527 -0.001 0.000 0.299 259 F C 2.719 178.473 175.800 -0.077 0.000 1.097 259 F CA 2.079 60.174 58.000 0.158 0.000 1.264 259 F CB -1.221 37.928 39.000 0.249 0.000 1.001 259 F HN -0.172 nan 8.300 nan 0.000 0.479 260 R N 0.640 121.226 120.500 0.144 0.000 2.096 260 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 260 R C 1.313 177.563 176.300 -0.085 0.000 1.127 260 R CA 1.922 58.041 56.100 0.031 0.000 0.968 260 R CB -0.404 29.931 30.300 0.059 0.000 0.861 260 R HN 0.179 nan 8.270 nan 0.000 0.440 261 D N 0.052 120.353 120.400 -0.166 0.000 2.348 261 D HA -0.061 4.579 4.640 -0.001 0.000 0.216 261 D C 0.132 176.239 176.300 -0.322 0.000 0.970 261 D CA 0.812 54.675 54.000 -0.228 0.000 0.889 261 D CB -0.030 40.617 40.800 -0.254 0.000 0.912 261 D HN 0.246 nan 8.370 nan 0.000 0.524 262 N N -0.772 117.675 118.700 -0.421 0.000 2.338 262 N HA 0.301 5.040 4.740 -0.001 0.000 0.251 262 N C 0.922 176.283 175.510 -0.249 0.000 1.199 262 N CA 0.230 53.018 53.050 -0.436 0.000 0.879 262 N CB 1.200 39.196 38.487 -0.818 0.000 1.159 262 N HN 0.042 nan 8.380 nan 0.000 0.514 263 G N -0.004 108.682 108.800 -0.190 0.000 2.184 263 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.264 263 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.264 263 G C 0.191 174.944 174.900 -0.245 0.000 0.975 263 G CA 0.384 45.383 45.100 -0.168 0.000 0.642 263 G HN 0.353 nan 8.290 nan 0.000 0.536 264 K N -0.030 120.267 120.400 -0.172 0.000 2.132 264 K HA 0.631 4.951 4.320 -0.001 0.000 0.241 264 K C -0.302 176.156 176.600 -0.236 0.000 1.000 264 K CA -0.887 55.328 56.287 -0.120 0.000 0.911 264 K CB 0.787 33.478 32.500 0.318 0.000 1.093 264 K HN 0.312 nan 8.250 nan 0.000 0.460 265 H N -0.431 118.724 119.070 0.141 0.000 2.469 265 H HA 0.547 5.102 4.556 -0.001 0.000 0.342 265 H C -0.939 174.403 175.328 0.024 0.000 1.115 265 H CA -0.753 55.317 56.048 0.038 0.000 1.204 265 H CB 1.946 31.660 29.762 -0.081 0.000 1.492 265 H HN 0.679 nan 8.280 nan 0.000 0.499 266 A N 3.007 125.909 122.820 0.136 0.000 2.422 266 A HA 0.485 4.804 4.320 -0.001 0.000 0.302 266 A C -1.394 176.201 177.584 0.017 0.000 1.041 266 A CA -0.653 51.407 52.037 0.039 0.000 0.708 266 A CB 1.717 20.780 19.000 0.105 0.000 1.257 266 A HN 0.483 nan 8.150 nan 0.000 0.414 267 L N 3.015 124.225 121.223 -0.021 0.000 2.305 267 L HA 0.749 5.088 4.340 -0.001 0.000 0.284 267 L C -0.930 175.901 176.870 -0.065 0.000 1.013 267 L CA -0.396 54.419 54.840 -0.042 0.000 0.819 267 L CB 1.021 43.053 42.059 -0.046 0.000 1.227 267 L HN 0.691 nan 8.230 nan 0.000 0.417 268 I N 5.556 126.048 120.570 -0.131 0.000 2.404 268 I HA 0.550 4.719 4.170 -0.001 0.000 0.293 268 I C -1.257 174.610 176.117 -0.417 0.000 0.992 268 I CA -0.735 60.400 61.300 -0.276 0.000 1.149 268 I CB 1.731 39.512 38.000 -0.364 0.000 1.315 268 I HN 0.386 nan 8.210 nan 0.000 0.446 269 V N 8.027 127.671 119.914 -0.450 0.000 2.384 269 V HA 0.289 4.409 4.120 -0.001 0.000 0.287 269 V C -1.052 174.666 176.094 -0.627 0.000 1.020 269 V CA -0.443 61.587 62.300 -0.449 0.000 0.850 269 V CB 1.236 32.876 31.823 -0.304 0.000 0.987 269 V HN 0.495 nan 8.190 nan 0.000 0.436 270 Y N 2.680 122.817 120.300 -0.272 0.000 2.594 270 Y HA 0.419 4.968 4.550 -0.001 0.000 0.342 270 Y C 0.345 176.083 175.900 -0.271 0.000 1.010 270 Y CA -0.784 57.149 58.100 -0.279 0.000 1.270 270 Y CB 0.572 38.880 38.460 -0.254 0.000 1.125 270 Y HN 0.558 nan 8.280 nan 0.000 0.513 271 D N 3.711 123.967 120.400 -0.239 0.000 2.464 271 D HA 0.220 4.859 4.640 -0.001 0.000 0.243 271 D C -1.329 174.939 176.300 -0.053 0.000 1.104 271 D CA -0.489 53.413 54.000 -0.164 0.000 0.883 271 D CB 0.266 40.918 40.800 -0.246 0.000 1.050 271 D HN 0.667 nan 8.370 nan 0.000 0.524 272 D N 0.828 121.227 120.400 -0.002 0.000 2.581 272 D HA 0.227 4.866 4.640 -0.001 0.000 0.232 272 D C 0.964 177.267 176.300 0.004 0.000 1.143 272 D CA -0.758 53.239 54.000 -0.005 0.000 0.881 272 D CB 1.207 42.009 40.800 0.004 0.000 1.500 272 D HN 0.093 nan 8.370 nan 0.000 0.458 273 L N 0.367 121.573 121.223 -0.029 0.000 2.201 273 L HA -0.084 4.255 4.340 -0.001 0.000 0.212 273 L C 1.866 178.803 176.870 0.110 0.000 1.105 273 L CA 0.802 55.596 54.840 -0.076 0.000 0.775 273 L CB -0.302 41.604 42.059 -0.254 0.000 0.913 273 L HN 0.474 nan 8.230 nan 0.000 0.440 274 S N -0.080 115.679 115.700 0.099 0.000 2.400 274 S HA -0.189 4.280 4.470 -0.001 0.000 0.232 274 S C 1.880 176.573 174.600 0.154 0.000 1.025 274 S CA 1.339 59.613 58.200 0.122 0.000 0.993 274 S CB -0.060 63.189 63.200 0.082 0.000 0.808 274 S HN 0.407 nan 8.310 nan 0.000 0.478 275 K N 0.690 121.166 120.400 0.127 0.000 2.314 275 K HA 0.093 4.413 4.320 -0.001 0.000 0.198 275 K C 2.323 179.025 176.600 0.169 0.000 1.045 275 K CA 0.268 56.637 56.287 0.136 0.000 0.988 275 K CB -0.027 32.534 32.500 0.101 0.000 0.783 275 K HN 0.303 nan 8.250 nan 0.000 0.484 276 Q N 0.929 120.829 119.800 0.167 0.000 2.079 276 Q HA -0.140 4.199 4.340 -0.001 0.000 0.200 276 Q C 2.038 178.234 176.000 0.326 0.000 0.974 276 Q CA 1.425 57.354 55.803 0.209 0.000 0.840 276 Q CB -0.057 28.745 28.738 0.107 0.000 0.898 276 Q HN 0.299 nan 8.270 nan 0.000 0.430 277 A N 0.337 123.375 122.820 0.364 0.000 1.873 277 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 277 A C 2.244 180.124 177.584 0.492 0.000 1.193 277 A CA 1.951 54.236 52.037 0.413 0.000 0.629 277 A CB -1.080 18.060 19.000 0.233 0.000 0.826 277 A HN 0.311 nan 8.150 nan 0.000 0.447 278 V N -0.048 120.104 119.914 0.397 0.000 2.324 278 V HA -0.316 3.804 4.120 -0.001 0.000 0.250 278 V C 3.028 179.229 176.094 0.178 0.000 1.060 278 V CA 2.179 64.625 62.300 0.243 0.000 1.042 278 V CB -1.503 30.422 31.823 0.171 0.000 0.650 278 V HN 0.666 nan 8.190 nan 0.000 0.450 279 A N -0.815 122.137 122.820 0.220 0.000 1.865 279 A HA -0.287 4.033 4.320 -0.001 0.000 0.217 279 A C 2.189 179.899 177.584 0.210 0.000 1.191 279 A CA 2.177 54.334 52.037 0.200 0.000 0.623 279 A CB -0.875 18.271 19.000 0.243 0.000 0.826 279 A HN 0.610 nan 8.150 nan 0.000 0.444 280 Y N 0.345 120.756 120.300 0.185 0.000 2.333 280 Y HA -0.172 4.377 4.550 -0.001 0.000 0.290 280 Y C 2.488 178.431 175.900 0.072 0.000 1.144 280 Y CA 1.878 60.054 58.100 0.127 0.000 1.228 280 Y CB -0.287 38.324 38.460 0.252 0.000 0.985 280 Y HN 0.347 nan 8.280 nan 0.000 0.542 281 R N 0.132 120.702 120.500 0.116 0.000 2.075 281 R HA -0.224 4.116 4.340 -0.001 0.000 0.232 281 R C 2.450 178.672 176.300 -0.130 0.000 1.126 281 R CA 1.814 57.884 56.100 -0.050 0.000 0.963 281 R CB -0.382 29.819 30.300 -0.165 0.000 0.858 281 R HN 0.523 nan 8.270 nan 0.000 0.435 282 Q N 0.459 120.211 119.800 -0.080 0.000 2.096 282 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 282 Q C 2.105 178.029 176.000 -0.127 0.000 0.982 282 Q CA 1.640 57.393 55.803 -0.084 0.000 0.850 282 Q CB -0.065 28.652 28.738 -0.035 0.000 0.901 282 Q HN 0.439 nan 8.270 nan 0.000 0.422 283 L N -0.146 120.972 121.223 -0.175 0.000 1.994 283 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 283 L C 2.755 179.454 176.870 -0.284 0.000 1.071 283 L CA 1.393 56.087 54.840 -0.242 0.000 0.745 283 L CB -0.636 41.223 42.059 -0.333 0.000 0.892 283 L HN 0.252 nan 8.230 nan 0.000 0.431 284 S N -0.147 115.312 115.700 -0.402 0.000 2.382 284 S HA -0.132 4.337 4.470 -0.001 0.000 0.228 284 S C 2.008 176.494 174.600 -0.190 0.000 1.027 284 S CA 1.085 59.081 58.200 -0.340 0.000 0.991 284 S CB -0.195 62.759 63.200 -0.411 0.000 0.823 284 S HN 0.263 nan 8.310 nan 0.000 0.469 285 L N 0.712 121.837 121.223 -0.163 0.000 2.046 285 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 285 L C 2.337 179.150 176.870 -0.095 0.000 1.077 285 L CA 1.150 55.922 54.840 -0.113 0.000 0.747 285 L CB -0.464 41.531 42.059 -0.107 0.000 0.896 285 L HN 0.355 nan 8.230 nan 0.000 0.432 286 L N -0.709 120.452 121.223 -0.102 0.000 2.156 286 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 286 L C 2.010 178.833 176.870 -0.079 0.000 1.095 286 L CA 0.695 55.486 54.840 -0.083 0.000 0.770 286 L CB -0.219 41.790 42.059 -0.083 0.000 0.914 286 L HN 0.260 nan 8.230 nan 0.000 0.439 287 L N 0.096 121.259 121.223 -0.099 0.000 2.693 287 L HA 0.052 4.391 4.340 -0.001 0.000 0.242 287 L C 0.379 177.209 176.870 -0.066 0.000 1.157 287 L CA -0.124 54.664 54.840 -0.086 0.000 0.929 287 L CB -0.246 41.746 42.059 -0.112 0.000 1.103 287 L HN 0.258 nan 8.230 nan 0.000 0.430 288 R N 0.901 121.365 120.500 -0.061 0.000 3.336 288 R HA -0.158 4.181 4.340 -0.001 0.000 0.260 288 R C -0.228 176.047 176.300 -0.042 0.000 1.032 288 R CA 0.642 56.715 56.100 -0.045 0.000 0.693 288 R CB -1.822 28.459 30.300 -0.032 0.000 1.134 288 R HN 0.449 nan 8.270 nan 0.000 0.433 289 R N 0.515 120.983 120.500 -0.054 0.000 2.474 289 R HA 0.357 4.697 4.340 -0.001 0.000 0.295 289 R C -2.072 174.211 176.300 -0.028 0.000 0.980 289 R CA -1.964 54.111 56.100 -0.041 0.000 0.934 289 R CB 0.886 31.151 30.300 -0.059 0.000 1.101 289 R HN -0.159 nan 8.270 nan 0.000 0.469 290 P HA 0.019 nan 4.420 nan 0.000 0.260 290 P C -2.353 174.949 177.300 0.004 0.000 1.185 290 P CA -0.607 62.493 63.100 -0.001 0.000 0.763 290 P CB 0.008 31.714 31.700 0.011 0.000 0.776 291 P HA 0.333 nan 4.420 nan 0.000 0.277 291 P C 0.343 177.646 177.300 0.006 0.000 1.240 291 P CA -0.121 62.976 63.100 -0.005 0.000 0.798 291 P CB 1.030 32.715 31.700 -0.026 0.000 0.979 292 G N 0.446 109.258 108.800 0.020 0.000 3.217 292 G HA2 0.399 4.359 3.960 -0.001 0.000 0.213 292 G HA3 0.399 4.359 3.960 -0.001 0.000 0.213 292 G C -0.904 173.952 174.900 -0.073 0.000 1.294 292 G CA -0.941 44.153 45.100 -0.010 0.000 0.987 292 G HN 0.509 nan 8.290 nan 0.000 0.584 293 R N 0.675 121.042 120.500 -0.222 0.000 2.488 293 R HA 0.066 4.405 4.340 -0.001 0.000 0.317 293 R C -0.173 176.044 176.300 -0.137 0.000 0.941 293 R CA 1.040 56.955 56.100 -0.308 0.000 1.076 293 R CB -0.554 29.330 30.300 -0.694 0.000 0.917 293 R HN 0.704 nan 8.270 nan 0.000 0.407 294 E N 2.872 123.052 120.200 -0.034 0.000 2.513 294 E HA -0.338 4.012 4.350 -0.001 0.000 0.257 294 E C 0.466 177.067 176.600 0.000 0.000 1.098 294 E CA 0.357 56.790 56.400 0.055 0.000 0.752 294 E CB -1.564 28.255 29.700 0.199 0.000 1.324 294 E HN 0.935 nan 8.360 nan 0.000 0.403 295 A N -1.897 120.896 122.820 -0.046 0.000 4.109 295 A HA -0.335 3.985 4.320 -0.001 0.000 0.250 295 A C 0.330 177.854 177.584 -0.099 0.000 0.772 295 A CA 1.699 53.668 52.037 -0.114 0.000 1.320 295 A CB -1.847 17.035 19.000 -0.197 0.000 1.076 295 A HN 0.428 nan 8.150 nan 0.000 0.723 296 Y N 2.233 122.560 120.300 0.045 0.000 2.620 296 Y HA 0.331 4.881 4.550 -0.001 0.000 0.330 296 Y C -1.020 174.947 175.900 0.112 0.000 1.186 296 Y CA -0.647 57.523 58.100 0.116 0.000 1.467 296 Y CB -0.013 38.579 38.460 0.221 0.000 1.262 296 Y HN 0.342 nan 8.280 nan 0.000 0.550 297 P HA -0.068 nan 4.420 nan 0.000 0.272 297 P C 0.740 178.201 177.300 0.268 0.000 1.248 297 P CA 0.425 63.649 63.100 0.207 0.000 0.799 297 P CB 0.670 32.490 31.700 0.199 0.000 0.997 298 G N 0.881 109.807 108.800 0.209 0.000 2.433 298 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.216 298 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.216 298 G C 0.544 175.608 174.900 0.273 0.000 1.186 298 G CA 0.742 45.967 45.100 0.208 0.000 0.779 298 G HN 0.667 nan 8.290 nan 0.000 0.543 299 D N 1.012 121.591 120.400 0.300 0.000 3.032 299 D HA 0.092 4.732 4.640 -0.001 0.000 0.241 299 D C 1.293 177.798 176.300 0.340 0.000 1.196 299 D CA -0.387 53.820 54.000 0.344 0.000 0.927 299 D CB 0.725 41.745 40.800 0.368 0.000 1.129 299 D HN 0.126 nan 8.370 nan 0.000 0.458 300 V N -0.181 119.932 119.914 0.332 0.000 3.235 300 V HA -0.011 4.109 4.120 -0.001 0.000 0.259 300 V C 1.325 177.446 176.094 0.045 0.000 1.133 300 V CA 0.534 62.971 62.300 0.228 0.000 1.128 300 V CB -0.622 31.376 31.823 0.291 0.000 0.757 300 V HN 0.296 nan 8.190 nan 0.000 0.469 301 F N -0.365 119.576 119.950 -0.015 0.000 2.317 301 F HA -0.007 4.519 4.527 -0.001 0.000 0.293 301 F C 1.999 177.833 175.800 0.055 0.000 1.085 301 F CA 1.555 59.511 58.000 -0.073 0.000 1.390 301 F CB -0.300 38.659 39.000 -0.067 0.000 1.077 301 F HN 0.306 nan 8.300 nan 0.000 0.517 302 Y N 0.636 121.012 120.300 0.128 0.000 2.421 302 Y HA -0.100 4.449 4.550 -0.001 0.000 0.292 302 Y C 1.907 177.808 175.900 0.001 0.000 1.136 302 Y CA 1.152 59.288 58.100 0.060 0.000 1.255 302 Y CB -0.572 37.971 38.460 0.137 0.000 0.991 302 Y HN 0.237 nan 8.280 nan 0.000 0.552 303 L N -0.265 120.908 121.223 -0.083 0.000 1.976 303 L HA -0.222 4.118 4.340 -0.001 0.000 0.209 303 L C 2.351 179.174 176.870 -0.079 0.000 1.071 303 L CA 2.183 56.969 54.840 -0.090 0.000 0.746 303 L CB -1.042 40.968 42.059 -0.082 0.000 0.890 303 L HN 0.299 nan 8.230 nan 0.000 0.432 304 H N -1.938 116.932 119.070 -0.334 0.000 2.462 304 H HA -0.073 4.483 4.556 -0.001 0.000 0.292 304 H C 2.322 177.368 175.328 -0.470 0.000 1.049 304 H CA 0.863 56.653 56.048 -0.430 0.000 1.334 304 H CB 0.292 29.814 29.762 -0.400 0.000 1.404 304 H HN 0.454 nan 8.280 nan 0.000 0.544 305 S N 0.518 115.990 115.700 -0.380 0.000 2.368 305 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 305 S C 2.146 176.600 174.600 -0.243 0.000 1.029 305 S CA 0.715 58.703 58.200 -0.353 0.000 0.988 305 S CB 0.075 63.074 63.200 -0.335 0.000 0.838 305 S HN 0.338 nan 8.310 nan 0.000 0.462 306 R N 0.086 120.402 120.500 -0.307 0.000 2.096 306 R HA -0.134 4.205 4.340 -0.001 0.000 0.240 306 R C 2.312 178.482 176.300 -0.217 0.000 1.139 306 R CA 1.815 57.769 56.100 -0.243 0.000 0.952 306 R CB -0.715 29.422 30.300 -0.273 0.000 0.854 306 R HN 0.405 nan 8.270 nan 0.000 0.436 307 L N 1.022 121.991 121.223 -0.423 0.000 1.948 307 L HA -0.165 4.174 4.340 -0.001 0.000 0.212 307 L C 2.115 178.761 176.870 -0.374 0.000 1.074 307 L CA 1.710 56.177 54.840 -0.622 0.000 0.753 307 L CB -0.604 40.824 42.059 -1.052 0.000 0.888 307 L HN 0.136 nan 8.230 nan 0.000 0.432 308 L N -0.434 120.573 121.223 -0.360 0.000 2.042 308 L HA -0.189 4.150 4.340 -0.001 0.000 0.210 308 L C 2.393 179.193 176.870 -0.117 0.000 1.076 308 L CA 1.114 55.825 54.840 -0.214 0.000 0.749 308 L CB -0.746 41.188 42.059 -0.209 0.000 0.893 308 L HN 0.362 nan 8.230 nan 0.000 0.432 309 E N 0.185 120.317 120.200 -0.113 0.000 2.515 309 E HA -0.140 4.209 4.350 -0.001 0.000 0.201 309 E C 2.038 178.619 176.600 -0.032 0.000 1.071 309 E CA 0.531 56.899 56.400 -0.054 0.000 0.880 309 E CB -0.021 29.659 29.700 -0.034 0.000 0.828 309 E HN 0.501 nan 8.360 nan 0.000 0.540 310 R N 0.262 120.734 120.500 -0.046 0.000 2.161 310 R HA 0.123 4.462 4.340 -0.001 0.000 0.213 310 R C 0.940 177.242 176.300 0.004 0.000 1.055 310 R CA 0.425 56.515 56.100 -0.016 0.000 0.996 310 R CB 0.191 30.478 30.300 -0.022 0.000 0.901 310 R HN -0.083 nan 8.270 nan 0.000 0.456 311 A N 1.457 124.278 122.820 0.001 0.000 2.404 311 A HA 0.600 4.919 4.320 -0.001 0.000 0.273 311 A C -0.263 177.329 177.584 0.013 0.000 1.144 311 A CA 0.046 52.093 52.037 0.017 0.000 0.806 311 A CB 0.347 19.360 19.000 0.021 0.000 1.080 311 A HN 0.315 nan 8.150 nan 0.000 0.509 312 A N 2.461 125.295 122.820 0.022 0.000 2.586 312 A HA 0.675 4.994 4.320 -0.001 0.000 0.291 312 A C -0.785 176.818 177.584 0.032 0.000 1.062 312 A CA -0.753 51.297 52.037 0.022 0.000 0.666 312 A CB 0.877 19.889 19.000 0.019 0.000 1.281 312 A HN 0.961 nan 8.150 nan 0.000 0.421 313 K N 1.732 122.152 120.400 0.033 0.000 2.268 313 K HA 0.624 4.943 4.320 -0.001 0.000 0.276 313 K C -0.857 175.773 176.600 0.050 0.000 1.080 313 K CA -0.200 56.117 56.287 0.049 0.000 0.910 313 K CB -0.089 32.438 32.500 0.045 0.000 1.163 313 K HN 0.574 nan 8.250 nan 0.000 0.465 314 L N 3.091 124.341 121.223 0.045 0.000 2.473 314 L HA 0.146 4.485 4.340 -0.001 0.000 0.268 314 L C 0.733 177.626 176.870 0.038 0.000 1.215 314 L CA -0.421 54.437 54.840 0.030 0.000 0.823 314 L CB 0.737 42.802 42.059 0.010 0.000 1.099 314 L HN 0.861 nan 8.230 nan 0.000 0.483 315 S N -0.047 115.668 115.700 0.025 0.000 2.589 315 S HA -0.017 4.452 4.470 -0.001 0.000 0.265 315 S C 0.854 175.467 174.600 0.021 0.000 1.342 315 S CA -0.439 57.775 58.200 0.023 0.000 1.005 315 S CB 0.989 64.195 63.200 0.011 0.000 0.909 315 S HN 0.759 nan 8.310 nan 0.000 0.555 316 E N 0.674 120.886 120.200 0.019 0.000 2.265 316 E HA -0.204 4.146 4.350 -0.001 0.000 0.196 316 E C 1.916 178.517 176.600 0.002 0.000 0.996 316 E CA 1.083 57.492 56.400 0.015 0.000 0.832 316 E CB -0.124 29.582 29.700 0.010 0.000 0.756 316 E HN 0.764 nan 8.360 nan 0.000 0.491 317 K N 0.384 120.783 120.400 -0.001 0.000 2.074 317 K HA -0.228 4.092 4.320 -0.001 0.000 0.209 317 K C 1.732 178.324 176.600 -0.013 0.000 1.048 317 K CA 1.910 58.193 56.287 -0.007 0.000 0.926 317 K CB 0.101 32.597 32.500 -0.006 0.000 0.713 317 K HN 0.176 nan 8.250 nan 0.000 0.444 318 E N -2.433 117.757 120.200 -0.015 0.000 2.110 318 E HA 0.042 4.391 4.350 -0.001 0.000 0.193 318 E C 1.486 178.063 176.600 -0.039 0.000 0.950 318 E CA 0.936 57.319 56.400 -0.028 0.000 0.840 318 E CB 0.639 30.320 29.700 -0.030 0.000 0.809 318 E HN 0.497 nan 8.360 nan 0.000 0.465 319 G N -0.974 107.806 108.800 -0.034 0.000 3.163 319 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.152 319 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.152 319 G C 0.457 175.338 174.900 -0.031 0.000 1.379 319 G CA 0.331 45.402 45.100 -0.048 0.000 0.789 319 G HN 0.061 nan 8.290 nan 0.000 0.960 320 S N -0.814 114.886 115.700 0.000 0.000 3.084 320 S HA -0.158 4.312 4.470 -0.001 0.000 0.277 320 S C 1.328 175.964 174.600 0.060 0.000 1.295 320 S CA 0.850 59.079 58.200 0.050 0.000 1.170 320 S CB -1.558 61.685 63.200 0.072 0.000 1.412 320 S HN 1.564 nan 8.310 nan 0.000 0.669 321 G N 1.488 110.267 108.800 -0.034 0.000 2.544 321 G HA2 0.464 4.424 3.960 -0.001 0.000 0.242 321 G HA3 0.464 4.424 3.960 -0.001 0.000 0.242 321 G C -0.045 174.902 174.900 0.077 0.000 1.247 321 G CA 0.483 45.523 45.100 -0.101 0.000 0.840 321 G HN 1.144 nan 8.290 nan 0.000 0.578 322 S N -0.160 115.672 115.700 0.220 0.000 2.536 322 S HA 0.583 5.053 4.470 -0.001 0.000 0.287 322 S C -1.101 173.586 174.600 0.144 0.000 1.101 322 S CA -0.898 57.421 58.200 0.197 0.000 0.950 322 S CB 2.020 65.335 63.200 0.191 0.000 1.056 322 S HN 0.799 nan 8.310 nan 0.000 0.481 323 L N 2.946 124.219 121.223 0.083 0.000 2.366 323 L HA 0.546 4.886 4.340 -0.001 0.000 0.266 323 L C -0.401 176.486 176.870 0.028 0.000 1.010 323 L CA 0.178 55.058 54.840 0.067 0.000 0.879 323 L CB 0.918 43.020 42.059 0.071 0.000 1.228 323 L HN 0.915 nan 8.230 nan 0.000 0.439 324 T N 3.568 118.124 114.554 0.005 0.000 2.889 324 T HA 0.784 5.134 4.350 -0.001 0.000 0.291 324 T C -0.107 174.575 174.700 -0.031 0.000 0.995 324 T CA -0.177 61.910 62.100 -0.022 0.000 1.092 324 T CB 1.327 70.165 68.868 -0.050 0.000 0.954 324 T HN 0.751 nan 8.240 nan 0.000 0.506 325 A N 2.953 125.761 122.820 -0.021 0.000 2.343 325 A HA 0.710 5.030 4.320 -0.001 0.000 0.308 325 A C -0.712 176.865 177.584 -0.012 0.000 1.092 325 A CA -0.728 51.300 52.037 -0.015 0.000 0.751 325 A CB 0.715 19.765 19.000 0.082 0.000 1.203 325 A HN 0.833 nan 8.150 nan 0.000 0.452 326 L N 4.671 125.866 121.223 -0.046 0.000 2.435 326 L HA 0.343 4.682 4.340 -0.001 0.000 0.253 326 L C -2.266 174.601 176.870 -0.005 0.000 1.087 326 L CA -1.784 53.038 54.840 -0.030 0.000 0.950 326 L CB 1.529 43.559 42.059 -0.050 0.000 1.304 326 L HN 0.481 nan 8.230 nan 0.000 0.453 327 P HA 0.129 nan 4.420 nan 0.000 0.274 327 P C -0.606 176.697 177.300 0.004 0.000 1.231 327 P CA -0.157 62.989 63.100 0.076 0.000 0.790 327 P CB 1.867 33.570 31.700 0.004 0.000 0.951 328 V N 3.997 123.907 119.914 -0.007 0.000 2.487 328 V HA 0.327 4.446 4.120 -0.001 0.000 0.298 328 V C 0.173 176.257 176.094 -0.016 0.000 1.028 328 V CA -0.462 61.823 62.300 -0.025 0.000 0.860 328 V CB 1.399 33.198 31.823 -0.040 0.000 0.991 328 V HN 0.356 nan 8.190 nan 0.000 0.427 329 I N 3.551 124.111 120.570 -0.017 0.000 2.406 329 I HA 0.359 4.529 4.170 -0.001 0.000 0.290 329 I C 0.157 176.264 176.117 -0.017 0.000 0.999 329 I CA -0.259 61.041 61.300 -0.001 0.000 1.124 329 I CB 1.873 39.881 38.000 0.012 0.000 1.289 329 I HN 0.660 nan 8.210 nan 0.000 0.441 330 E N 5.485 125.684 120.200 -0.001 0.000 2.044 330 E HA 0.277 4.626 4.350 -0.001 0.000 0.282 330 E C -0.678 175.927 176.600 0.007 0.000 1.031 330 E CA -0.383 56.011 56.400 -0.010 0.000 0.824 330 E CB 0.575 30.278 29.700 0.006 0.000 1.076 330 E HN 0.665 nan 8.360 nan 0.000 0.395 331 T N 2.105 116.654 114.554 -0.009 0.000 2.845 331 T HA 0.255 4.605 4.350 -0.001 0.000 0.288 331 T C 0.086 174.805 174.700 0.031 0.000 0.980 331 T CA -1.030 61.085 62.100 0.026 0.000 1.071 331 T CB 1.547 70.442 68.868 0.046 0.000 0.941 331 T HN 0.309 nan 8.240 nan 0.000 0.487 332 Q N 1.436 121.267 119.800 0.053 0.000 2.296 332 Q HA 0.412 4.752 4.340 -0.001 0.000 0.257 332 Q C 1.316 177.354 176.000 0.063 0.000 0.942 332 Q CA 0.392 56.227 55.803 0.054 0.000 0.939 332 Q CB 1.142 29.917 28.738 0.060 0.000 1.198 332 Q HN 1.282 nan 8.270 nan 0.000 0.429 333 G N 2.236 111.072 108.800 0.060 0.000 2.233 333 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.270 333 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.270 333 G C 0.861 175.815 174.900 0.091 0.000 1.011 333 G CA 0.786 45.928 45.100 0.070 0.000 0.762 333 G HN 1.248 nan 8.290 nan 0.000 0.511 334 G N -0.710 108.155 108.800 0.108 0.000 2.284 334 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.247 334 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.247 334 G C 0.365 175.372 174.900 0.178 0.000 1.012 334 G CA 0.980 46.187 45.100 0.179 0.000 0.618 334 G HN 1.799 nan 8.290 nan 0.000 0.521 335 D N 0.734 121.205 120.400 0.118 0.000 2.520 335 D HA 0.294 4.933 4.640 -0.001 0.000 0.243 335 D C 1.531 177.900 176.300 0.114 0.000 1.160 335 D CA 1.049 55.108 54.000 0.099 0.000 0.877 335 D CB 0.946 41.793 40.800 0.080 0.000 1.150 335 D HN 0.983 nan 8.370 nan 0.000 0.494 336 V N 0.740 120.717 119.914 0.106 0.000 3.346 336 V HA 0.258 4.378 4.120 -0.001 0.000 0.309 336 V C 0.998 177.135 176.094 0.070 0.000 1.457 336 V CA -0.042 62.324 62.300 0.109 0.000 1.069 336 V CB 0.228 32.134 31.823 0.139 0.000 0.944 336 V HN 0.372 nan 8.190 nan 0.000 0.449 337 S N 1.157 116.895 115.700 0.062 0.000 2.540 337 S HA 0.608 5.077 4.470 -0.001 0.000 0.218 337 S C 1.311 175.954 174.600 0.071 0.000 0.977 337 S CA 0.405 58.638 58.200 0.055 0.000 0.918 337 S CB 0.383 63.610 63.200 0.045 0.000 0.806 337 S HN 0.881 nan 8.310 nan 0.000 0.496 338 A N 0.740 123.607 122.820 0.079 0.000 2.433 338 A HA 0.275 4.595 4.320 -0.001 0.000 0.250 338 A C 0.924 178.582 177.584 0.123 0.000 1.113 338 A CA 0.078 52.177 52.037 0.104 0.000 0.794 338 A CB -0.219 18.840 19.000 0.099 0.000 1.067 338 A HN 0.337 nan 8.150 nan 0.000 0.510 339 Y N 0.175 120.468 120.300 -0.011 0.000 2.070 339 Y HA -0.197 4.352 4.550 -0.001 0.000 0.279 339 Y C 2.085 177.923 175.900 -0.103 0.000 1.134 339 Y CA 2.173 60.243 58.100 -0.050 0.000 1.113 339 Y CB -0.221 38.205 38.460 -0.057 0.000 0.981 339 Y HN 0.470 nan 8.280 nan 0.000 0.487 340 I N 0.470 120.927 120.570 -0.189 0.000 2.142 340 I HA -0.212 3.957 4.170 -0.001 0.000 0.240 340 I C -0.398 175.616 176.117 -0.172 0.000 1.078 340 I CA 1.560 62.667 61.300 -0.321 0.000 1.343 340 I CB -2.720 35.080 38.000 -0.333 0.000 1.046 340 I HN 0.181 nan 8.210 nan 0.000 0.405 341 P HA -0.132 nan 4.420 nan 0.000 0.212 341 P C 1.794 179.088 177.300 -0.010 0.000 1.178 341 P CA 2.007 65.101 63.100 -0.010 0.000 0.915 341 P CB -0.277 31.444 31.700 0.034 0.000 0.788 342 T N -0.887 113.662 114.554 -0.009 0.000 2.803 342 T HA -0.146 4.204 4.350 -0.001 0.000 0.269 342 T C 1.581 176.278 174.700 -0.005 0.000 1.052 342 T CA 1.490 63.591 62.100 0.001 0.000 1.136 342 T CB -0.969 67.904 68.868 0.008 0.000 0.864 342 T HN 0.101 nan 8.240 nan 0.000 0.467 343 N N 0.938 119.599 118.700 -0.065 0.000 2.025 343 N HA -0.078 4.661 4.740 -0.001 0.000 0.194 343 N C 1.950 177.481 175.510 0.035 0.000 1.044 343 N CA 0.926 53.985 53.050 0.016 0.000 0.851 343 N CB -0.923 37.475 38.487 -0.148 0.000 1.036 343 N HN 0.199 nan 8.380 nan 0.000 0.422 344 V N 1.639 121.528 119.914 -0.041 0.000 2.295 344 V HA -0.182 3.938 4.120 -0.001 0.000 0.246 344 V C 2.216 178.309 176.094 -0.003 0.000 1.049 344 V CA 1.234 63.518 62.300 -0.026 0.000 1.024 344 V CB -0.541 31.294 31.823 0.020 0.000 0.648 344 V HN 0.285 nan 8.190 nan 0.000 0.447 345 I N 1.425 122.007 120.570 0.019 0.000 2.194 345 I HA -0.264 3.906 4.170 -0.001 0.000 0.246 345 I C 2.419 178.559 176.117 0.039 0.000 1.093 345 I CA 2.074 63.393 61.300 0.031 0.000 1.355 345 I CB -0.589 37.435 38.000 0.040 0.000 1.046 345 I HN 0.516 nan 8.210 nan 0.000 0.413 346 S N 0.074 115.813 115.700 0.065 0.000 2.660 346 S HA 0.092 4.561 4.470 -0.001 0.000 0.228 346 S C 1.435 176.094 174.600 0.099 0.000 0.966 346 S CA 0.365 58.620 58.200 0.092 0.000 0.940 346 S CB -0.449 62.829 63.200 0.131 0.000 0.773 346 S HN 0.505 nan 8.310 nan 0.000 0.535 347 I N 0.987 121.584 120.570 0.045 0.000 3.812 347 I HA 0.076 4.246 4.170 -0.001 0.000 0.292 347 I C 1.149 177.261 176.117 -0.008 0.000 1.206 347 I CA 0.280 61.581 61.300 0.002 0.000 1.370 347 I CB -0.543 37.399 38.000 -0.097 0.000 1.328 347 I HN 0.290 nan 8.210 nan 0.000 0.453 348 T N -0.561 113.987 114.554 -0.010 0.000 2.900 348 T HA 0.045 4.394 4.350 -0.001 0.000 0.307 348 T C 0.278 174.982 174.700 0.006 0.000 1.065 348 T CA -0.267 61.828 62.100 -0.007 0.000 1.105 348 T CB 0.712 69.578 68.868 -0.003 0.000 0.979 348 T HN 0.049 nan 8.240 nan 0.000 0.544 349 D N 1.363 121.766 120.400 0.004 0.000 2.538 349 D HA 0.412 5.051 4.640 -0.001 0.000 0.234 349 D C 0.894 177.201 176.300 0.012 0.000 1.191 349 D CA 0.321 54.327 54.000 0.009 0.000 0.828 349 D CB -0.409 40.394 40.800 0.005 0.000 0.981 349 D HN 1.028 nan 8.370 nan 0.000 0.490 350 G N 0.129 108.938 108.800 0.016 0.000 2.345 350 G HA2 0.232 4.192 3.960 -0.001 0.000 0.310 350 G HA3 0.232 4.192 3.960 -0.001 0.000 0.310 350 G C -1.740 173.177 174.900 0.029 0.000 1.476 350 G CA -1.024 44.090 45.100 0.022 0.000 0.978 350 G HN -0.014 nan 8.290 nan 0.000 0.656 351 Q N -0.723 119.103 119.800 0.043 0.000 2.372 351 Q HA 0.763 5.102 4.340 -0.001 0.000 0.273 351 Q C -0.421 175.627 176.000 0.079 0.000 1.078 351 Q CA -0.512 55.329 55.803 0.063 0.000 0.806 351 Q CB 2.735 31.524 28.738 0.086 0.000 1.332 351 Q HN 0.616 nan 8.270 nan 0.000 0.435 352 I N 2.226 122.844 120.570 0.080 0.000 2.382 352 I HA 0.385 4.555 4.170 -0.001 0.000 0.285 352 I C -1.089 175.096 176.117 0.113 0.000 1.007 352 I CA -0.686 60.665 61.300 0.086 0.000 1.142 352 I CB 0.770 38.794 38.000 0.039 0.000 1.289 352 I HN 0.493 nan 8.210 nan 0.000 0.453 353 F N 7.333 127.286 119.950 0.006 0.000 2.399 353 F HA 0.612 5.138 4.527 -0.001 0.000 0.334 353 F C -0.948 174.854 175.800 0.003 0.000 1.097 353 F CA -0.500 57.502 58.000 0.005 0.000 1.076 353 F CB 1.173 40.180 39.000 0.012 0.000 1.162 353 F HN 0.187 nan 8.300 nan 0.000 0.495 354 L N 5.075 125.997 121.223 -0.501 0.000 2.349 354 L HA 0.386 4.726 4.340 -0.001 0.000 0.278 354 L C -0.645 176.037 176.870 -0.314 0.000 0.996 354 L CA -0.348 54.329 54.840 -0.272 0.000 0.825 354 L CB 1.853 43.755 42.059 -0.262 0.000 1.243 354 L HN 0.562 nan 8.230 nan 0.000 0.412 355 E N 1.168 121.382 120.200 0.025 0.000 2.231 355 E HA 0.495 4.844 4.350 -0.001 0.000 0.277 355 E C 0.293 176.922 176.600 0.049 0.000 0.999 355 E CA -0.295 56.179 56.400 0.123 0.000 0.827 355 E CB 1.956 31.811 29.700 0.257 0.000 1.101 355 E HN 0.708 nan 8.360 nan 0.000 0.393 356 A N 3.247 126.100 122.820 0.055 0.000 1.929 356 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 356 A C 1.690 179.382 177.584 0.180 0.000 1.176 356 A CA 1.281 53.342 52.037 0.040 0.000 0.628 356 A CB -0.323 18.782 19.000 0.175 0.000 0.816 356 A HN 0.746 nan 8.150 nan 0.000 0.444 357 E N 0.132 120.472 120.200 0.233 0.000 2.048 357 E HA -0.237 4.113 4.350 -0.001 0.000 0.202 357 E C 1.875 178.599 176.600 0.205 0.000 1.021 357 E CA 1.642 58.189 56.400 0.245 0.000 0.825 357 E CB -0.439 29.368 29.700 0.177 0.000 0.756 357 E HN 0.638 nan 8.360 nan 0.000 0.454 358 L N -0.037 121.281 121.223 0.159 0.000 2.141 358 L HA -0.124 4.216 4.340 -0.001 0.000 0.209 358 L C 2.424 179.353 176.870 0.098 0.000 1.094 358 L CA 0.550 55.466 54.840 0.126 0.000 0.763 358 L CB -0.360 41.773 42.059 0.124 0.000 0.908 358 L HN 0.103 nan 8.230 nan 0.000 0.437 359 F N 0.343 120.231 119.950 -0.103 0.000 2.095 359 F HA -0.276 4.250 4.527 -0.001 0.000 0.298 359 F C 2.238 177.907 175.800 -0.219 0.000 1.104 359 F CA 1.611 59.472 58.000 -0.231 0.000 1.232 359 F CB -0.340 38.405 39.000 -0.425 0.000 0.987 359 F HN -0.033 nan 8.300 nan 0.000 0.475 360 Y N 0.066 120.360 120.300 -0.010 0.000 2.337 360 Y HA -0.030 4.519 4.550 -0.001 0.000 0.293 360 Y C 2.452 178.300 175.900 -0.086 0.000 1.123 360 Y CA 1.199 59.236 58.100 -0.105 0.000 1.201 360 Y CB -0.960 37.514 38.460 0.024 0.000 1.011 360 Y HN 0.008 nan 8.280 nan 0.000 0.545 361 K N -0.314 120.154 120.400 0.113 0.000 2.152 361 K HA -0.089 4.230 4.320 -0.001 0.000 0.206 361 K C 1.418 178.027 176.600 0.015 0.000 1.048 361 K CA 1.484 57.814 56.287 0.072 0.000 0.933 361 K CB -0.334 32.218 32.500 0.086 0.000 0.721 361 K HN 0.509 nan 8.250 nan 0.000 0.447 362 G N -0.416 108.359 108.800 -0.042 0.000 2.367 362 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.181 362 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.181 362 G C -0.252 174.617 174.900 -0.051 0.000 1.000 362 G CA -0.149 44.911 45.100 -0.067 0.000 0.693 362 G HN 0.104 nan 8.290 nan 0.000 0.480 363 I N 2.809 123.371 120.570 -0.014 0.000 2.406 363 I HA 0.437 4.606 4.170 -0.001 0.000 0.293 363 I C 0.722 176.852 176.117 0.023 0.000 1.101 363 I CA 0.327 61.637 61.300 0.017 0.000 1.334 363 I CB 0.457 38.488 38.000 0.052 0.000 1.421 363 I HN 0.094 nan 8.210 nan 0.000 0.513 364 R N 7.583 128.091 120.500 0.013 0.000 2.532 364 R HA 0.459 4.799 4.340 -0.001 0.000 0.297 364 R C -2.646 173.669 176.300 0.026 0.000 0.984 364 R CA -1.761 54.360 56.100 0.035 0.000 0.884 364 R CB 1.923 32.227 30.300 0.006 0.000 1.182 364 R HN 0.249 nan 8.270 nan 0.000 0.442 365 P HA 0.069 nan 4.420 nan 0.000 0.276 365 P C -0.620 176.720 177.300 0.067 0.000 1.230 365 P CA -0.346 62.785 63.100 0.052 0.000 0.776 365 P CB 1.068 32.782 31.700 0.024 0.000 0.888 366 A N 5.474 128.353 122.820 0.099 0.000 2.655 366 A HA 0.280 4.600 4.320 -0.001 0.000 0.297 366 A C 0.314 177.950 177.584 0.086 0.000 1.461 366 A CA -0.116 51.983 52.037 0.102 0.000 1.146 366 A CB -1.130 17.954 19.000 0.141 0.000 1.108 366 A HN 0.346 nan 8.150 nan 0.000 0.550 367 I N 2.257 122.882 120.570 0.092 0.000 2.339 367 I HA 0.173 4.342 4.170 -0.001 0.000 0.290 367 I C 0.091 176.290 176.117 0.136 0.000 0.994 367 I CA -0.832 60.533 61.300 0.108 0.000 1.191 367 I CB 1.248 39.296 38.000 0.080 0.000 1.343 367 I HN 0.571 nan 8.210 nan 0.000 0.458 368 N N 6.048 124.865 118.700 0.195 0.000 2.663 368 N HA 0.148 4.887 4.740 -0.001 0.000 0.250 368 N C 0.894 176.465 175.510 0.102 0.000 1.129 368 N CA -0.165 52.977 53.050 0.154 0.000 0.995 368 N CB 0.728 39.314 38.487 0.165 0.000 1.324 368 N HN 0.386 nan 8.380 nan 0.000 0.512 369 V N 2.168 122.134 119.914 0.087 0.000 2.688 369 V HA -0.133 3.986 4.120 -0.001 0.000 0.256 369 V C 2.285 178.408 176.094 0.048 0.000 1.084 369 V CA 1.961 64.303 62.300 0.069 0.000 1.103 369 V CB -1.072 30.794 31.823 0.072 0.000 0.688 369 V HN 0.679 nan 8.190 nan 0.000 0.480 370 G N -0.508 108.313 108.800 0.036 0.000 2.448 370 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.219 370 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.219 370 G C 1.487 176.375 174.900 -0.020 0.000 1.127 370 G CA 0.819 45.925 45.100 0.010 0.000 0.766 370 G HN 0.510 nan 8.290 nan 0.000 0.552 371 L N 0.353 121.553 121.223 -0.038 0.000 2.547 371 L HA 0.173 4.512 4.340 -0.001 0.000 0.218 371 L C 1.218 178.087 176.870 -0.002 0.000 1.048 371 L CA 0.233 55.030 54.840 -0.072 0.000 0.859 371 L CB 0.181 42.100 42.059 -0.235 0.000 1.128 371 L HN 0.186 nan 8.230 nan 0.000 0.483 372 S N 1.788 117.519 115.700 0.051 0.000 2.443 372 S HA 0.421 4.890 4.470 -0.001 0.000 0.284 372 S C -0.299 174.334 174.600 0.054 0.000 1.206 372 S CA -0.573 57.677 58.200 0.084 0.000 1.074 372 S CB 0.348 63.621 63.200 0.120 0.000 0.963 372 S HN 0.121 nan 8.310 nan 0.000 0.501 373 V N 0.098 120.038 119.914 0.045 0.000 2.851 373 V HA 0.771 4.891 4.120 -0.001 0.000 0.307 373 V C -0.113 175.998 176.094 0.030 0.000 1.129 373 V CA -0.897 61.423 62.300 0.034 0.000 0.932 373 V CB 1.206 33.045 31.823 0.026 0.000 1.024 373 V HN 0.797 nan 8.190 nan 0.000 0.426 374 S N 2.992 118.707 115.700 0.025 0.000 2.554 374 S HA 0.518 4.987 4.470 -0.001 0.000 0.278 374 S C 0.960 175.570 174.600 0.017 0.000 1.242 374 S CA -0.497 57.714 58.200 0.019 0.000 1.051 374 S CB 1.449 64.657 63.200 0.013 0.000 0.986 374 S HN 0.841 nan 8.310 nan 0.000 0.502 375 R N 2.492 123.001 120.500 0.014 0.000 2.052 375 R HA -0.017 4.323 4.340 -0.001 0.000 0.226 375 R C 2.125 178.432 176.300 0.013 0.000 1.145 375 R CA 1.423 57.532 56.100 0.014 0.000 0.952 375 R CB -0.991 29.317 30.300 0.014 0.000 0.847 375 R HN 0.587 nan 8.270 nan 0.000 0.431 376 V N 0.459 120.379 119.914 0.010 0.000 2.219 376 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 376 V C 1.951 178.051 176.094 0.010 0.000 1.053 376 V CA 2.183 64.488 62.300 0.009 0.000 1.009 376 V CB -1.354 30.471 31.823 0.004 0.000 0.636 376 V HN 0.800 nan 8.190 nan 0.000 0.445 377 G N -0.251 108.553 108.800 0.007 0.000 2.601 377 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.306 377 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.306 377 G C 1.175 176.080 174.900 0.009 0.000 1.172 377 G CA 0.962 46.067 45.100 0.010 0.000 0.966 377 G HN 0.500 nan 8.290 nan 0.000 0.542 378 S N 1.086 116.794 115.700 0.014 0.000 2.374 378 S HA -0.025 4.445 4.470 -0.001 0.000 0.227 378 S C 2.803 177.411 174.600 0.014 0.000 1.037 378 S CA 2.603 60.812 58.200 0.015 0.000 1.024 378 S CB -0.737 62.474 63.200 0.019 0.000 0.861 378 S HN 1.693 nan 8.310 nan 0.000 0.456 379 A N 0.974 123.803 122.820 0.016 0.000 1.978 379 A HA 0.175 4.494 4.320 -0.001 0.000 0.220 379 A C 1.818 179.415 177.584 0.021 0.000 1.170 379 A CA 1.545 53.596 52.037 0.023 0.000 0.636 379 A CB -0.528 18.489 19.000 0.029 0.000 0.810 379 A HN 0.544 nan 8.150 nan 0.000 0.448 380 A N -1.161 121.659 122.820 0.000 0.000 2.708 380 A HA 0.470 4.790 4.320 -0.001 0.000 0.293 380 A C 0.343 177.903 177.584 -0.040 0.000 1.303 380 A CA -0.186 51.833 52.037 -0.030 0.000 0.949 380 A CB -0.178 18.794 19.000 -0.047 0.000 1.121 380 A HN 0.553 nan 8.150 nan 0.000 0.542 381 Q N 0.091 119.879 119.800 -0.019 0.000 2.348 381 Q HA 0.547 4.886 4.340 -0.001 0.000 0.271 381 Q C -1.059 174.935 176.000 -0.011 0.000 1.067 381 Q CA -0.670 55.124 55.803 -0.016 0.000 0.839 381 Q CB 2.198 30.936 28.738 -0.000 0.000 1.354 381 Q HN 0.156 nan 8.270 nan 0.000 0.447 382 V N 4.266 124.175 119.914 -0.008 0.000 2.493 382 V HA -0.092 4.028 4.120 -0.001 0.000 0.292 382 V C 1.456 177.556 176.094 0.009 0.000 1.016 382 V CA 0.651 62.951 62.300 0.000 0.000 1.097 382 V CB 0.657 32.487 31.823 0.012 0.000 0.947 382 V HN 0.882 nan 8.190 nan 0.000 0.479 383 K N 4.209 124.615 120.400 0.009 0.000 2.152 383 K HA -0.202 4.117 4.320 -0.001 0.000 0.206 383 K C 2.044 178.653 176.600 0.016 0.000 1.048 383 K CA 1.623 57.918 56.287 0.013 0.000 0.933 383 K CB -0.110 32.398 32.500 0.012 0.000 0.721 383 K HN 0.864 nan 8.250 nan 0.000 0.447 384 A N 0.576 123.403 122.820 0.013 0.000 1.930 384 A HA -0.116 4.203 4.320 -0.001 0.000 0.217 384 A C 1.936 179.533 177.584 0.022 0.000 1.175 384 A CA 1.019 53.062 52.037 0.011 0.000 0.627 384 A CB -0.360 18.641 19.000 0.003 0.000 0.815 384 A HN 0.325 nan 8.150 nan 0.000 0.443 385 L N -0.341 120.896 121.223 0.024 0.000 2.179 385 L HA 0.029 4.368 4.340 -0.001 0.000 0.208 385 L C 2.230 179.120 176.870 0.033 0.000 1.096 385 L CA 2.047 56.905 54.840 0.030 0.000 0.779 385 L CB -0.385 41.690 42.059 0.027 0.000 0.922 385 L HN 0.433 nan 8.230 nan 0.000 0.443 386 K N -1.059 119.358 120.400 0.028 0.000 2.148 386 K HA -0.193 4.126 4.320 -0.001 0.000 0.204 386 K C 1.993 178.616 176.600 0.038 0.000 1.050 386 K CA 1.446 57.751 56.287 0.030 0.000 0.942 386 K CB 0.036 32.551 32.500 0.025 0.000 0.724 386 K HN 0.466 nan 8.250 nan 0.000 0.446 387 Q N -0.031 119.794 119.800 0.041 0.000 2.083 387 Q HA -0.101 4.238 4.340 -0.001 0.000 0.198 387 Q C 2.035 178.078 176.000 0.071 0.000 0.969 387 Q CA 1.630 57.464 55.803 0.052 0.000 0.838 387 Q CB 0.184 28.950 28.738 0.046 0.000 0.900 387 Q HN 0.326 nan 8.270 nan 0.000 0.436 388 V N -3.292 116.669 119.914 0.079 0.000 3.129 388 V HA 0.221 4.340 4.120 -0.001 0.000 0.259 388 V C 1.292 177.421 176.094 0.058 0.000 1.116 388 V CA 1.121 63.485 62.300 0.106 0.000 1.127 388 V CB -0.000 31.908 31.823 0.143 0.000 0.742 388 V HN 0.190 nan 8.190 nan 0.000 0.474 389 A N 0.266 123.113 122.820 0.045 0.000 2.616 389 A HA 0.667 4.987 4.320 -0.001 0.000 0.294 389 A C 1.726 179.335 177.584 0.043 0.000 1.091 389 A CA 0.432 52.487 52.037 0.029 0.000 0.971 389 A CB -0.201 18.815 19.000 0.026 0.000 1.222 389 A HN 0.480 nan 8.150 nan 0.000 0.521 390 G N 0.848 109.679 108.800 0.052 0.000 2.418 390 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.217 390 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.217 390 G C 1.685 176.633 174.900 0.080 0.000 1.158 390 G CA 1.715 46.850 45.100 0.059 0.000 0.771 390 G HN 0.929 nan 8.290 nan 0.000 0.545 391 S N -0.230 115.535 115.700 0.109 0.000 2.524 391 S HA 0.159 4.628 4.470 -0.001 0.000 0.216 391 S C 2.069 176.823 174.600 0.257 0.000 0.987 391 S CA 0.461 58.776 58.200 0.192 0.000 0.909 391 S CB 0.075 63.441 63.200 0.276 0.000 0.781 391 S HN 0.138 nan 8.310 nan 0.000 0.521 392 L N 1.973 123.270 121.223 0.123 0.000 2.127 392 L HA 0.065 4.404 4.340 -0.001 0.000 0.211 392 L C 2.310 179.255 176.870 0.125 0.000 1.089 392 L CA 1.831 56.716 54.840 0.074 0.000 0.757 392 L CB -0.803 41.254 42.059 -0.004 0.000 0.899 392 L HN 0.252 nan 8.230 nan 0.000 0.434 393 K N -0.726 119.738 120.400 0.107 0.000 2.026 393 K HA -0.141 4.178 4.320 -0.001 0.000 0.208 393 K C 1.863 178.529 176.600 0.111 0.000 1.048 393 K CA 1.780 58.122 56.287 0.092 0.000 0.929 393 K CB -0.382 32.159 32.500 0.069 0.000 0.713 393 K HN 0.293 nan 8.250 nan 0.000 0.439 394 L N -0.473 120.825 121.223 0.125 0.000 2.023 394 L HA 0.021 4.360 4.340 -0.001 0.000 0.205 394 L C 2.052 178.989 176.870 0.111 0.000 1.073 394 L CA 1.376 56.270 54.840 0.090 0.000 0.745 394 L CB -0.765 41.323 42.059 0.049 0.000 0.900 394 L HN 0.078 nan 8.230 nan 0.000 0.435 395 F N -0.011 119.956 119.950 0.028 0.000 2.063 395 F HA -0.353 4.174 4.527 -0.001 0.000 0.297 395 F C 2.276 178.121 175.800 0.074 0.000 1.099 395 F CA 1.968 59.989 58.000 0.035 0.000 1.220 395 F CB -0.584 38.418 39.000 0.002 0.000 0.972 395 F HN -0.028 nan 8.300 nan 0.000 0.487 396 L N -1.280 120.102 121.223 0.264 0.000 2.156 396 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 396 L C 2.558 179.550 176.870 0.203 0.000 1.095 396 L CA 0.850 55.822 54.840 0.220 0.000 0.770 396 L CB -0.942 41.198 42.059 0.136 0.000 0.914 396 L HN 0.139 nan 8.230 nan 0.000 0.439 397 A N -0.479 122.423 122.820 0.137 0.000 2.015 397 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 397 A C 2.211 179.841 177.584 0.077 0.000 1.163 397 A CA 1.383 53.476 52.037 0.092 0.000 0.646 397 A CB -0.246 18.791 19.000 0.061 0.000 0.806 397 A HN 0.494 nan 8.150 nan 0.000 0.448 398 Q N -2.789 117.057 119.800 0.075 0.000 2.376 398 Q HA 0.036 4.375 4.340 -0.001 0.000 0.206 398 Q C 1.702 177.749 176.000 0.080 0.000 0.921 398 Q CA 0.646 56.472 55.803 0.037 0.000 0.911 398 Q CB -0.058 28.656 28.738 -0.040 0.000 1.032 398 Q HN 0.838 nan 8.270 nan 0.000 0.510 399 Y N 1.381 121.700 120.300 0.031 0.000 2.263 399 Y HA -0.126 4.424 4.550 -0.000 0.000 0.292 399 Y C 2.284 178.222 175.900 0.063 0.000 1.130 399 Y CA 1.338 59.471 58.100 0.055 0.000 1.179 399 Y CB 0.142 38.656 38.460 0.090 0.000 0.998 399 Y HN -0.117 nan 8.280 nan 0.000 0.532 400 R N 0.864 121.413 120.500 0.082 0.000 2.092 400 R HA -0.189 4.150 4.340 -0.001 0.000 0.231 400 R C 2.162 178.434 176.300 -0.046 0.000 1.119 400 R CA 1.935 58.039 56.100 0.007 0.000 0.970 400 R CB -0.294 30.058 30.300 0.087 0.000 0.864 400 R HN 0.708 nan 8.270 nan 0.000 0.440 401 E N -0.592 119.606 120.200 -0.004 0.000 2.158 401 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 401 E C 1.509 178.160 176.600 0.086 0.000 0.982 401 E CA 0.976 57.392 56.400 0.027 0.000 0.823 401 E CB 0.028 29.755 29.700 0.046 0.000 0.766 401 E HN 0.154 nan 8.360 nan 0.000 0.468 402 V N 1.162 121.101 119.914 0.041 0.000 3.461 402 V HA 0.071 4.190 4.120 -0.001 0.000 0.267 402 V C 2.278 178.404 176.094 0.052 0.000 1.186 402 V CA 0.949 63.327 62.300 0.129 0.000 1.154 402 V CB 0.012 31.791 31.823 -0.074 0.000 0.802 402 V HN 0.441 nan 8.190 nan 0.000 0.474 403 A N 0.650 123.364 122.820 -0.178 0.000 2.019 403 A HA -0.051 4.268 4.320 -0.001 0.000 0.219 403 A C 2.363 179.903 177.584 -0.074 0.000 1.164 403 A CA 1.737 53.614 52.037 -0.267 0.000 0.644 403 A CB -0.387 18.399 19.000 -0.356 0.000 0.805 403 A HN 0.557 nan 8.150 nan 0.000 0.449 404 A N -1.399 121.402 122.820 -0.032 0.000 2.066 404 A HA 0.116 4.436 4.320 -0.001 0.000 0.218 404 A C 1.600 179.122 177.584 -0.102 0.000 1.157 404 A CA 0.762 52.747 52.037 -0.087 0.000 0.670 404 A CB -0.709 18.197 19.000 -0.157 0.000 0.804 404 A HN 0.448 nan 8.150 nan 0.000 0.453 405 F N 0.268 120.175 119.950 -0.071 0.000 2.664 405 F HA -0.027 4.500 4.527 -0.001 0.000 0.297 405 F C 2.398 178.174 175.800 -0.041 0.000 1.164 405 F CA 0.432 58.401 58.000 -0.051 0.000 1.472 405 F CB -0.254 38.715 39.000 -0.052 0.000 1.108 405 F HN 0.294 nan 8.300 nan 0.000 0.596 406 A N -0.981 121.890 122.820 0.085 0.000 1.978 406 A HA -0.145 4.174 4.320 -0.001 0.000 0.220 406 A C 1.281 178.884 177.584 0.031 0.000 1.170 406 A CA 1.333 53.400 52.037 0.050 0.000 0.636 406 A CB -0.318 18.696 19.000 0.023 0.000 0.810 406 A HN 0.332 nan 8.150 nan 0.000 0.448 411 D N 0.955 121.385 120.400 0.050 0.000 2.619 411 D HA 0.739 5.378 4.640 -0.001 0.000 0.241 411 D C -1.277 175.040 176.300 0.028 0.000 1.087 411 D CA -0.189 53.830 54.000 0.033 0.000 0.851 411 D CB 1.905 42.720 40.800 0.025 0.000 1.474 411 D HN 0.296 nan 8.370 nan 0.000 0.478 412 L N 2.788 124.016 121.223 0.007 0.000 2.341 412 L HA 0.346 4.685 4.340 -0.001 0.000 0.278 412 L C 0.873 177.726 176.870 -0.027 0.000 1.005 412 L CA -0.816 54.013 54.840 -0.019 0.000 0.818 412 L CB 1.625 43.672 42.059 -0.019 0.000 1.259 412 L HN 0.439 nan 8.230 nan 0.000 0.418 413 D N 2.719 123.091 120.400 -0.046 0.000 1.825 413 D HA 0.000 4.639 4.640 -0.001 0.000 0.312 413 D C 0.841 177.117 176.300 -0.040 0.000 1.066 413 D CA 0.638 54.613 54.000 -0.041 0.000 0.826 413 D CB 0.407 41.176 40.800 -0.052 0.000 1.144 413 D HN 0.476 nan 8.370 nan 0.000 0.392 414 A N -0.913 121.879 122.820 -0.047 0.000 1.937 414 A HA 0.178 4.498 4.320 -0.001 0.000 0.198 414 A C 2.089 179.644 177.584 -0.049 0.000 1.635 414 A CA 0.451 52.464 52.037 -0.040 0.000 1.111 414 A CB 0.048 19.029 19.000 -0.031 0.000 1.165 414 A HN 0.284 nan 8.150 nan 0.000 0.460 415 S N 0.700 116.362 115.700 -0.063 0.000 2.383 415 S HA -0.105 4.365 4.470 -0.001 0.000 0.227 415 S C 1.841 176.384 174.600 -0.095 0.000 1.026 415 S CA 2.020 60.175 58.200 -0.075 0.000 0.981 415 S CB -0.301 62.850 63.200 -0.082 0.000 0.818 415 S HN 0.838 nan 8.310 nan 0.000 0.472 416 T N -1.133 113.348 114.554 -0.122 0.000 3.054 416 T HA 0.329 4.678 4.350 -0.001 0.000 0.255 416 T C 1.222 175.862 174.700 -0.100 0.000 1.035 416 T CA -0.160 61.847 62.100 -0.154 0.000 0.941 416 T CB 0.145 68.834 68.868 -0.298 0.000 1.026 416 T HN 0.220 nan 8.240 nan 0.000 0.533 417 K N 0.764 121.124 120.400 -0.066 0.000 2.103 417 K HA -0.047 4.272 4.320 -0.001 0.000 0.204 417 K C 2.340 178.936 176.600 -0.005 0.000 1.052 417 K CA 1.072 57.339 56.287 -0.033 0.000 0.945 417 K CB 0.037 32.520 32.500 -0.028 0.000 0.722 417 K HN 0.297 nan 8.250 nan 0.000 0.443 418 Q N -0.042 119.757 119.800 -0.002 0.000 2.204 418 Q HA -0.001 4.338 4.340 -0.001 0.000 0.198 418 Q C 1.559 177.601 176.000 0.071 0.000 0.946 418 Q CA 1.733 57.551 55.803 0.026 0.000 0.859 418 Q CB -0.016 28.734 28.738 0.021 0.000 0.946 418 Q HN 0.200 nan 8.270 nan 0.000 0.474 419 T N 1.202 115.791 114.554 0.059 0.000 2.759 419 T HA -0.156 4.193 4.350 -0.001 0.000 0.269 419 T C 1.591 176.425 174.700 0.224 0.000 1.042 419 T CA 1.349 63.521 62.100 0.120 0.000 1.140 419 T CB -0.300 68.584 68.868 0.026 0.000 0.864 419 T HN 0.337 nan 8.240 nan 0.000 0.455 420 L N 0.953 122.268 121.223 0.152 0.000 2.291 420 L HA -0.011 4.328 4.340 -0.001 0.000 0.214 420 L C 2.167 179.166 176.870 0.215 0.000 1.120 420 L CA 0.757 55.724 54.840 0.211 0.000 0.799 420 L CB -0.109 42.003 42.059 0.087 0.000 0.925 420 L HN 0.085 nan 8.230 nan 0.000 0.446 421 V N -0.390 119.599 119.914 0.124 0.000 2.407 421 V HA -0.124 3.995 4.120 -0.001 0.000 0.245 421 V C 2.659 178.775 176.094 0.036 0.000 1.041 421 V CA 1.196 63.536 62.300 0.067 0.000 1.040 421 V CB -0.632 31.209 31.823 0.029 0.000 0.671 421 V HN 0.395 nan 8.190 nan 0.000 0.455 422 R N 0.873 121.408 120.500 0.058 0.000 2.092 422 R HA -0.078 4.262 4.340 -0.001 0.000 0.226 422 R C 2.528 178.745 176.300 -0.138 0.000 1.140 422 R CA 1.747 57.839 56.100 -0.014 0.000 0.910 422 R CB -1.562 28.799 30.300 0.102 0.000 0.822 422 R HN 0.508 nan 8.270 nan 0.000 0.433 423 G N 1.198 109.862 108.800 -0.227 0.000 2.485 423 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.221 423 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.221 423 G C 1.346 175.713 174.900 -0.889 0.000 1.115 423 G CA 0.922 45.500 45.100 -0.869 0.000 0.751 423 G HN 0.504 nan 8.290 nan 0.000 0.567 424 E N 0.688 120.677 120.200 -0.352 0.000 2.265 424 E HA -0.140 4.209 4.350 -0.001 0.000 0.196 424 E C 2.470 179.019 176.600 -0.086 0.000 0.996 424 E CA 0.957 57.328 56.400 -0.047 0.000 0.832 424 E CB 0.010 29.782 29.700 0.120 0.000 0.756 424 E HN 0.673 nan 8.360 nan 0.000 0.491 425 R N -0.934 119.485 120.500 -0.135 0.000 2.394 425 R HA 0.174 4.514 4.340 -0.001 0.000 0.220 425 R C 2.221 178.441 176.300 -0.134 0.000 0.887 425 R CA -0.183 55.848 56.100 -0.114 0.000 1.034 425 R CB -0.193 30.037 30.300 -0.116 0.000 1.179 425 R HN 0.101 nan 8.270 nan 0.000 0.561 426 L N 1.557 122.668 121.223 -0.188 0.000 1.994 426 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 426 L C 1.928 178.724 176.870 -0.125 0.000 1.071 426 L CA 1.940 56.676 54.840 -0.172 0.000 0.745 426 L CB -0.453 41.473 42.059 -0.222 0.000 0.892 426 L HN 0.204 nan 8.230 nan 0.000 0.431 427 T N -1.757 112.708 114.554 -0.148 0.000 2.867 427 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 427 T C 1.717 176.396 174.700 -0.035 0.000 1.057 427 T CA 1.131 63.187 62.100 -0.073 0.000 1.136 427 T CB -0.162 68.673 68.868 -0.056 0.000 0.874 427 T HN 0.192 nan 8.240 nan 0.000 0.466 428 Q N 0.901 120.675 119.800 -0.044 0.000 2.226 428 Q HA 0.063 4.403 4.340 -0.001 0.000 0.204 428 Q C 1.933 177.929 176.000 -0.005 0.000 0.975 428 Q CA 1.070 56.863 55.803 -0.017 0.000 0.866 428 Q CB -0.513 28.212 28.738 -0.022 0.000 0.915 428 Q HN 0.596 nan 8.270 nan 0.000 0.440 429 L N -1.127 120.086 121.223 -0.016 0.000 2.307 429 L HA 0.133 4.472 4.340 -0.001 0.000 0.211 429 L C 1.634 178.515 176.870 0.019 0.000 1.099 429 L CA 0.396 55.243 54.840 0.012 0.000 0.816 429 L CB 0.048 42.108 42.059 0.002 0.000 0.952 429 L HN 0.265 nan 8.230 nan 0.000 0.455 430 L N 0.089 121.314 121.223 0.003 0.000 2.362 430 L HA -0.101 4.238 4.340 -0.001 0.000 0.219 430 L C 0.836 177.717 176.870 0.018 0.000 1.134 430 L CA 0.491 55.338 54.840 0.011 0.000 0.807 430 L CB -0.422 41.640 42.059 0.006 0.000 0.927 430 L HN 0.150 nan 8.230 nan 0.000 0.447 431 K N 1.619 122.029 120.400 0.016 0.000 2.472 431 K HA 0.011 4.331 4.320 -0.001 0.000 0.280 431 K C 0.022 176.633 176.600 0.019 0.000 1.028 431 K CA 0.537 56.833 56.287 0.015 0.000 1.045 431 K CB 0.326 32.833 32.500 0.012 0.000 0.902 431 K HN 0.084 nan 8.250 nan 0.000 0.478 432 Q N 3.359 123.167 119.800 0.012 0.000 2.263 432 Q HA 0.095 4.434 4.340 -0.001 0.000 0.266 432 Q C -1.180 174.818 176.000 -0.004 0.000 1.002 432 Q CA -1.003 54.806 55.803 0.011 0.000 0.790 432 Q CB 1.097 29.843 28.738 0.013 0.000 1.272 432 Q HN 0.650 nan 8.270 nan 0.000 0.435 433 N N 2.576 121.275 118.700 -0.002 0.000 2.479 433 N HA -0.024 4.715 4.740 -0.001 0.000 0.257 433 N C -0.323 175.157 175.510 -0.049 0.000 1.232 433 N CA -0.151 52.889 53.050 -0.018 0.000 0.920 433 N CB 0.613 39.105 38.487 0.007 0.000 1.105 433 N HN 0.651 nan 8.380 nan 0.000 0.444 434 Q N 0.060 119.783 119.800 -0.129 0.000 2.524 434 Q HA -0.074 4.266 4.340 -0.001 0.000 0.246 434 Q C -0.472 175.401 176.000 -0.210 0.000 1.063 434 Q CA -0.066 55.548 55.803 -0.314 0.000 0.945 434 Q CB 0.093 28.450 28.738 -0.635 0.000 1.292 434 Q HN 0.629 nan 8.270 nan 0.000 0.518 435 Y N -0.766 119.518 120.300 -0.027 0.000 4.538 435 Y HA -0.254 4.295 4.550 -0.001 0.000 0.225 435 Y C -0.098 175.796 175.900 -0.009 0.000 1.074 435 Y CA 1.031 59.093 58.100 -0.063 0.000 1.942 435 Y CB -2.130 36.325 38.460 -0.008 0.000 1.618 435 Y HN 0.356 nan 8.280 nan 0.000 0.642 436 S N -0.026 115.728 115.700 0.090 0.000 2.139 436 S HA 0.383 4.853 4.470 -0.001 0.000 0.183 436 S C -2.487 172.135 174.600 0.037 0.000 1.473 436 S CA -0.955 57.287 58.200 0.071 0.000 1.263 436 S CB 1.042 64.279 63.200 0.061 0.000 1.170 436 S HN -0.052 nan 8.310 nan 0.000 0.430 437 P HA 0.237 nan 4.420 nan 0.000 0.271 437 P C -0.679 176.629 177.300 0.012 0.000 1.216 437 P CA -0.198 62.917 63.100 0.025 0.000 0.771 437 P CB 0.541 32.260 31.700 0.032 0.000 0.864 438 L N 2.102 123.332 121.223 0.012 0.000 2.322 438 L HA 0.619 4.959 4.340 -0.001 0.000 0.279 438 L C 0.801 177.669 176.870 -0.004 0.000 1.036 438 L CA -1.069 53.770 54.840 -0.002 0.000 0.807 438 L CB 1.382 43.444 42.059 0.005 0.000 1.226 438 L HN 0.363 nan 8.230 nan 0.000 0.433 439 A N 1.564 124.364 122.820 -0.034 0.000 2.366 439 A HA 0.254 4.573 4.320 -0.001 0.000 0.249 439 A C 1.180 178.765 177.584 0.001 0.000 1.084 439 A CA -0.195 51.820 52.037 -0.036 0.000 0.794 439 A CB 0.328 19.267 19.000 -0.101 0.000 1.034 439 A HN 0.857 nan 8.150 nan 0.000 0.491 440 T N 0.478 115.057 114.554 0.040 0.000 2.897 440 T HA -0.156 4.194 4.350 -0.001 0.000 0.271 440 T C 1.575 176.280 174.700 0.009 0.000 1.084 440 T CA 1.892 64.017 62.100 0.041 0.000 1.123 440 T CB -0.263 68.647 68.868 0.071 0.000 0.865 440 T HN 0.892 nan 8.240 nan 0.000 0.496 441 E N 1.346 121.537 120.200 -0.015 0.000 2.274 441 E HA -0.099 4.251 4.350 -0.001 0.000 0.194 441 E C 1.438 178.002 176.600 -0.061 0.000 0.996 441 E CA 0.875 57.250 56.400 -0.042 0.000 0.840 441 E CB -0.131 29.532 29.700 -0.061 0.000 0.772 441 E HN 0.544 nan 8.360 nan 0.000 0.491 442 E N 0.278 120.446 120.200 -0.053 0.000 2.476 442 E HA 0.037 4.386 4.350 -0.001 0.000 0.199 442 E C 1.792 178.381 176.600 -0.019 0.000 1.021 442 E CA -0.078 56.284 56.400 -0.063 0.000 0.907 442 E CB 0.393 30.052 29.700 -0.068 0.000 0.974 442 E HN 0.327 nan 8.360 nan 0.000 0.489 443 Q N 0.427 120.229 119.800 0.003 0.000 2.061 443 Q HA -0.079 4.261 4.340 -0.001 0.000 0.195 443 Q C 2.576 178.605 176.000 0.050 0.000 0.967 443 Q CA 1.511 57.333 55.803 0.031 0.000 0.829 443 Q CB -0.011 28.746 28.738 0.032 0.000 0.900 443 Q HN 0.253 nan 8.270 nan 0.000 0.450 444 V N -0.692 119.244 119.914 0.036 0.000 2.380 444 V HA -0.160 3.959 4.120 -0.001 0.000 0.251 444 V C -0.947 175.205 176.094 0.096 0.000 1.063 444 V CA 1.375 63.707 62.300 0.053 0.000 1.055 444 V CB -2.205 29.629 31.823 0.018 0.000 0.657 444 V HN 0.174 nan 8.190 nan 0.000 0.455 445 P HA -0.012 nan 4.420 nan 0.000 0.216 445 P C 2.013 179.519 177.300 0.344 0.000 1.153 445 P CA 1.329 64.539 63.100 0.183 0.000 0.844 445 P CB -0.120 31.602 31.700 0.036 0.000 0.787 446 L N -1.539 119.842 121.223 0.263 0.000 2.217 446 L HA -0.037 4.302 4.340 -0.001 0.000 0.211 446 L C 2.285 179.247 176.870 0.154 0.000 1.107 446 L CA 1.010 56.008 54.840 0.264 0.000 0.783 446 L CB -0.557 41.624 42.059 0.203 0.000 0.919 446 L HN -0.077 nan 8.230 nan 0.000 0.442 447 I N -1.855 118.788 120.570 0.122 0.000 2.703 447 I HA -0.224 3.945 4.170 -0.001 0.000 0.259 447 I C 2.425 178.578 176.117 0.060 0.000 1.151 447 I CA 0.750 62.088 61.300 0.064 0.000 1.470 447 I CB -0.166 37.867 38.000 0.055 0.000 1.112 447 I HN 0.180 nan 8.210 nan 0.000 0.437 448 Y N 2.238 122.535 120.300 -0.006 0.000 2.200 448 Y HA -0.210 4.339 4.550 -0.001 0.000 0.290 448 Y C 2.586 178.437 175.900 -0.082 0.000 1.137 448 Y CA 1.468 59.543 58.100 -0.041 0.000 1.163 448 Y CB -0.255 38.178 38.460 -0.045 0.000 0.988 448 Y HN 0.089 nan 8.280 nan 0.000 0.518 449 A N 0.045 122.842 122.820 -0.039 0.000 1.972 449 A HA -0.084 4.235 4.320 -0.001 0.000 0.219 449 A C 2.399 179.912 177.584 -0.119 0.000 1.169 449 A CA 1.732 53.683 52.037 -0.144 0.000 0.635 449 A CB -1.606 17.374 19.000 -0.034 0.000 0.810 449 A HN 0.606 nan 8.150 nan 0.000 0.446 450 G N -0.579 108.150 108.800 -0.118 0.000 2.454 450 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.214 450 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.214 450 G C 1.507 176.253 174.900 -0.256 0.000 1.217 450 G CA 1.138 46.138 45.100 -0.167 0.000 0.799 450 G HN 0.283 nan 8.290 nan 0.000 0.538 451 V N 1.656 121.403 119.914 -0.279 0.000 2.255 451 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 451 V C 2.520 178.416 176.094 -0.330 0.000 1.051 451 V CA 2.032 64.100 62.300 -0.386 0.000 1.018 451 V CB -0.690 30.980 31.823 -0.255 0.000 0.641 451 V HN 0.404 nan 8.190 nan 0.000 0.445 452 N N 0.133 118.665 118.700 -0.281 0.000 2.309 452 N HA -0.038 4.702 4.740 -0.001 0.000 0.182 452 N C 1.197 176.624 175.510 -0.138 0.000 1.018 452 N CA 1.024 53.954 53.050 -0.199 0.000 0.876 452 N CB 0.078 38.385 38.487 -0.301 0.000 0.972 452 N HN 0.642 nan 8.380 nan 0.000 0.434 453 G N 0.990 109.730 108.800 -0.100 0.000 2.842 453 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.242 453 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.242 453 G C -0.349 174.428 174.900 -0.205 0.000 1.135 453 G CA -0.384 44.629 45.100 -0.145 0.000 1.048 453 G HN 0.484 nan 8.290 nan 0.000 0.530 454 H N -0.632 118.322 119.070 -0.193 0.000 2.652 454 H HA 0.450 5.006 4.556 -0.001 0.000 0.274 454 H C 2.157 177.365 175.328 -0.200 0.000 1.021 454 H CA 0.215 56.171 56.048 -0.153 0.000 1.187 454 H CB 0.524 30.219 29.762 -0.111 0.000 1.505 454 H HN 0.424 nan 8.280 nan 0.000 0.530 455 L N -0.169 120.970 121.223 -0.141 0.000 2.817 455 L HA 0.100 4.439 4.340 -0.001 0.000 0.248 455 L C 0.874 177.619 176.870 -0.210 0.000 1.133 455 L CA 0.080 54.755 54.840 -0.275 0.000 0.935 455 L CB 0.629 42.473 42.059 -0.358 0.000 1.266 455 L HN 0.064 nan 8.230 nan 0.000 0.535 456 D N 0.978 121.286 120.400 -0.154 0.000 2.221 456 D HA -0.133 4.506 4.640 -0.001 0.000 0.204 456 D C 1.691 177.929 176.300 -0.103 0.000 0.982 456 D CA 1.321 55.250 54.000 -0.117 0.000 0.857 456 D CB -0.062 40.680 40.800 -0.096 0.000 0.934 456 D HN 0.301 nan 8.370 nan 0.000 0.475 457 G N 0.034 108.766 108.800 -0.113 0.000 3.949 457 G HA2 0.431 4.390 3.960 -0.001 0.000 0.295 457 G HA3 0.431 4.390 3.960 -0.001 0.000 0.295 457 G C 0.061 174.901 174.900 -0.101 0.000 1.286 457 G CA -0.285 44.760 45.100 -0.092 0.000 1.171 457 G HN 0.113 nan 8.290 nan 0.000 0.586 458 I N 0.744 121.240 120.570 -0.122 0.000 2.533 458 I HA 0.233 4.402 4.170 -0.001 0.000 0.290 458 I C -0.175 175.887 176.117 -0.091 0.000 1.056 458 I CA -1.083 60.142 61.300 -0.124 0.000 1.057 458 I CB 2.357 40.230 38.000 -0.211 0.000 1.240 458 I HN 0.311 nan 8.210 nan 0.000 0.423 459 E N 5.778 125.943 120.200 -0.059 0.000 2.417 459 E HA 0.041 4.390 4.350 -0.001 0.000 0.261 459 E C 0.210 176.790 176.600 -0.033 0.000 1.000 459 E CA -0.412 55.966 56.400 -0.036 0.000 0.919 459 E CB 0.885 30.573 29.700 -0.020 0.000 0.955 459 E HN 0.450 nan 8.360 nan 0.000 0.455 460 L N 3.310 124.517 121.223 -0.026 0.000 2.127 460 L HA -0.274 4.065 4.340 -0.001 0.000 0.211 460 L C 2.560 179.430 176.870 -0.000 0.000 1.089 460 L CA 2.127 56.955 54.840 -0.020 0.000 0.757 460 L CB -0.990 41.064 42.059 -0.009 0.000 0.899 460 L HN 0.778 nan 8.230 nan 0.000 0.434 461 S N -0.201 115.503 115.700 0.005 0.000 2.402 461 S HA -0.220 4.250 4.470 -0.001 0.000 0.233 461 S C 1.858 176.476 174.600 0.030 0.000 1.030 461 S CA 1.171 59.381 58.200 0.016 0.000 1.003 461 S CB -0.401 62.807 63.200 0.014 0.000 0.813 461 S HN 0.529 nan 8.310 nan 0.000 0.477 462 R N -0.265 120.256 120.500 0.035 0.000 2.577 462 R HA 0.389 4.728 4.340 -0.001 0.000 0.344 462 R C 0.733 177.098 176.300 0.109 0.000 1.037 462 R CA -0.249 55.893 56.100 0.070 0.000 1.102 462 R CB 0.202 30.544 30.300 0.071 0.000 1.313 462 R HN 0.348 nan 8.270 nan 0.000 0.561 463 I N 0.230 120.838 120.570 0.063 0.000 2.315 463 I HA -0.087 4.082 4.170 -0.001 0.000 0.248 463 I C 2.305 178.518 176.117 0.160 0.000 1.117 463 I CA 1.403 62.743 61.300 0.068 0.000 1.404 463 I CB -1.176 36.813 38.000 -0.017 0.000 1.071 463 I HN 0.224 nan 8.210 nan 0.000 0.419 464 G N 1.799 110.667 108.800 0.114 0.000 2.433 464 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.216 464 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.216 464 G C 1.435 176.421 174.900 0.143 0.000 1.186 464 G CA 0.901 46.068 45.100 0.112 0.000 0.779 464 G HN 0.629 nan 8.290 nan 0.000 0.543 465 E N -0.544 119.742 120.200 0.142 0.000 2.338 465 E HA -0.070 4.279 4.350 -0.001 0.000 0.197 465 E C 2.058 178.777 176.600 0.198 0.000 1.007 465 E CA 0.481 56.965 56.400 0.140 0.000 0.849 465 E CB -0.425 29.344 29.700 0.115 0.000 0.774 465 E HN 0.441 nan 8.360 nan 0.000 0.506 466 F N 2.359 122.377 119.950 0.112 0.000 2.134 466 F HA -0.137 4.389 4.527 -0.001 0.000 0.299 466 F C 2.273 178.191 175.800 0.198 0.000 1.097 466 F CA 1.960 60.062 58.000 0.171 0.000 1.264 466 F CB -0.032 39.035 39.000 0.112 0.000 1.001 466 F HN 0.024 nan 8.300 nan 0.000 0.479 467 E N 0.177 120.539 120.200 0.271 0.000 2.070 467 E HA -0.262 4.088 4.350 -0.001 0.000 0.197 467 E C 2.271 178.895 176.600 0.040 0.000 1.004 467 E CA 2.000 58.506 56.400 0.176 0.000 0.805 467 E CB -0.246 29.556 29.700 0.169 0.000 0.744 467 E HN 0.568 nan 8.360 nan 0.000 0.451 468 S N 0.552 116.276 115.700 0.040 0.000 2.344 468 S HA -0.216 4.253 4.470 -0.001 0.000 0.217 468 S C 2.332 176.912 174.600 -0.033 0.000 1.033 468 S CA 1.738 59.941 58.200 0.005 0.000 1.017 468 S CB -0.986 62.233 63.200 0.032 0.000 0.941 468 S HN 0.417 nan 8.310 nan 0.000 0.430 469 S N 1.573 117.279 115.700 0.010 0.000 2.387 469 S HA -0.153 4.316 4.470 -0.001 0.000 0.230 469 S C 1.644 176.160 174.600 -0.140 0.000 1.035 469 S CA 1.300 59.532 58.200 0.055 0.000 1.014 469 S CB -1.056 62.281 63.200 0.229 0.000 0.836 469 S HN 0.509 nan 8.310 nan 0.000 0.466 470 F N 2.323 121.902 119.950 -0.619 0.000 2.206 470 F HA 0.249 4.775 4.527 -0.001 0.000 0.298 470 F C 1.839 177.316 175.800 -0.538 0.000 1.090 470 F CA 0.572 57.897 58.000 -1.125 0.000 1.323 470 F CB -0.504 37.751 39.000 -1.241 0.000 1.028 470 F HN 0.158 nan 8.300 nan 0.000 0.492 471 L N -0.105 120.833 121.223 -0.476 0.000 2.156 471 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 471 L C 2.623 179.311 176.870 -0.303 0.000 1.095 471 L CA 1.319 55.898 54.840 -0.436 0.000 0.770 471 L CB -0.862 41.055 42.059 -0.237 0.000 0.914 471 L HN 0.261 nan 8.230 nan 0.000 0.439 472 S N -1.152 114.431 115.700 -0.195 0.000 2.428 472 S HA -0.229 4.240 4.470 -0.001 0.000 0.230 472 S C 1.968 176.516 174.600 -0.087 0.000 1.014 472 S CA 0.597 58.731 58.200 -0.110 0.000 0.957 472 S CB -0.662 62.515 63.200 -0.039 0.000 0.784 472 S HN 0.474 nan 8.310 nan 0.000 0.499 473 Y N 2.394 122.542 120.300 -0.253 0.000 2.263 473 Y HA 0.156 4.705 4.550 -0.001 0.000 0.292 473 Y C 1.810 177.608 175.900 -0.169 0.000 1.130 473 Y CA 0.913 58.905 58.100 -0.180 0.000 1.179 473 Y CB -0.391 37.916 38.460 -0.255 0.000 0.998 473 Y HN 0.200 nan 8.280 nan 0.000 0.532 474 L N 0.066 121.050 121.223 -0.398 0.000 2.023 474 L HA -0.188 4.152 4.340 -0.001 0.000 0.205 474 L C 2.392 179.090 176.870 -0.286 0.000 1.073 474 L CA 1.622 56.234 54.840 -0.380 0.000 0.745 474 L CB -0.560 41.222 42.059 -0.461 0.000 0.900 474 L HN 0.036 nan 8.230 nan 0.000 0.435 475 K N -0.595 119.657 120.400 -0.246 0.000 2.152 475 K HA -0.170 4.150 4.320 -0.001 0.000 0.206 475 K C 2.380 178.876 176.600 -0.174 0.000 1.048 475 K CA 1.590 57.768 56.287 -0.183 0.000 0.933 475 K CB -0.197 32.213 32.500 -0.151 0.000 0.721 475 K HN 0.157 nan 8.250 nan 0.000 0.447 476 S N 0.447 116.029 115.700 -0.197 0.000 2.371 476 S HA -0.008 4.461 4.470 -0.001 0.000 0.221 476 S C 1.612 176.067 174.600 -0.242 0.000 1.036 476 S CA 0.758 58.853 58.200 -0.175 0.000 0.965 476 S CB 0.069 63.196 63.200 -0.122 0.000 0.845 476 S HN 0.235 nan 8.310 nan 0.000 0.475 477 N N 0.347 118.804 118.700 -0.404 0.000 2.436 477 N HA 0.105 4.844 4.740 -0.001 0.000 0.178 477 N C 0.243 175.375 175.510 -0.630 0.000 1.026 477 N CA 0.781 53.492 53.050 -0.566 0.000 0.880 477 N CB -0.240 37.742 38.487 -0.843 0.000 1.061 477 N HN 0.484 nan 8.380 nan 0.000 0.434 478 H N 0.477 119.347 119.070 -0.334 0.000 2.539 478 H HA 0.214 4.770 4.556 -0.001 0.000 0.293 478 H C 0.613 175.822 175.328 -0.198 0.000 1.156 478 H CA -0.227 55.677 56.048 -0.239 0.000 1.012 478 H CB 0.071 29.684 29.762 -0.249 0.000 1.600 478 H HN 0.165 nan 8.280 nan 0.000 0.538 479 N N 1.589 120.217 118.700 -0.119 0.000 2.137 479 N HA -0.179 4.560 4.740 -0.001 0.000 0.190 479 N C 1.551 177.016 175.510 -0.076 0.000 1.017 479 N CA 1.379 54.366 53.050 -0.105 0.000 0.859 479 N CB 0.304 38.727 38.487 -0.106 0.000 1.002 479 N HN 0.492 nan 8.380 nan 0.000 0.428 480 E N -0.128 120.038 120.200 -0.057 0.000 2.077 480 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 480 E C 1.998 178.571 176.600 -0.044 0.000 0.989 480 E CA 0.783 57.156 56.400 -0.044 0.000 0.800 480 E CB -0.190 29.491 29.700 -0.031 0.000 0.746 480 E HN 0.414 nan 8.360 nan 0.000 0.452 481 L N 0.722 121.922 121.223 -0.038 0.000 2.187 481 L HA -0.193 4.146 4.340 -0.001 0.000 0.213 481 L C 2.270 179.092 176.870 -0.080 0.000 1.100 481 L CA 0.797 55.601 54.840 -0.061 0.000 0.765 481 L CB -0.183 41.828 42.059 -0.080 0.000 0.904 481 L HN 0.194 nan 8.230 nan 0.000 0.437 482 L N -1.673 119.499 121.223 -0.084 0.000 2.249 482 L HA -0.059 4.281 4.340 -0.001 0.000 0.207 482 L C 2.344 179.171 176.870 -0.072 0.000 1.090 482 L CA 0.818 55.603 54.840 -0.092 0.000 0.802 482 L CB -0.580 41.411 42.059 -0.113 0.000 0.947 482 L HN 0.143 nan 8.230 nan 0.000 0.453 483 T N -1.076 113.439 114.554 -0.065 0.000 2.995 483 T HA -0.154 4.196 4.350 -0.001 0.000 0.269 483 T C 1.687 176.362 174.700 -0.041 0.000 1.091 483 T CA 0.898 62.966 62.100 -0.054 0.000 1.128 483 T CB 0.061 68.898 68.868 -0.052 0.000 0.891 483 T HN 0.328 nan 8.240 nan 0.000 0.492 484 E N 0.538 120.713 120.200 -0.041 0.000 2.230 484 E HA 0.040 4.389 4.350 -0.001 0.000 0.192 484 E C 1.917 178.499 176.600 -0.030 0.000 0.987 484 E CA 0.360 56.741 56.400 -0.033 0.000 0.841 484 E CB -0.015 29.665 29.700 -0.034 0.000 0.783 484 E HN 0.477 nan 8.360 nan 0.000 0.481 485 I N 0.537 121.083 120.570 -0.039 0.000 2.286 485 I HA -0.179 3.990 4.170 -0.001 0.000 0.245 485 I C 2.786 178.893 176.117 -0.017 0.000 1.104 485 I CA 0.641 61.921 61.300 -0.032 0.000 1.397 485 I CB -0.289 37.684 38.000 -0.045 0.000 1.072 485 I HN 0.062 nan 8.210 nan 0.000 0.417 486 R N 1.329 121.815 120.500 -0.023 0.000 2.081 486 R HA -0.190 4.149 4.340 -0.001 0.000 0.235 486 R C 2.014 178.320 176.300 0.009 0.000 1.131 486 R CA 1.800 57.894 56.100 -0.010 0.000 0.960 486 R CB -0.006 30.272 30.300 -0.036 0.000 0.856 486 R HN 0.417 nan 8.270 nan 0.000 0.436 487 E N -0.478 119.721 120.200 -0.002 0.000 2.086 487 E HA -0.073 4.276 4.350 -0.001 0.000 0.190 487 E C 1.971 178.577 176.600 0.010 0.000 0.975 487 E CA 0.816 57.219 56.400 0.007 0.000 0.813 487 E CB 0.257 29.954 29.700 -0.004 0.000 0.768 487 E HN 0.271 nan 8.360 nan 0.000 0.457 488 K N -0.606 119.795 120.400 0.002 0.000 2.166 488 K HA 0.051 4.370 4.320 -0.001 0.000 0.201 488 K C 1.311 177.914 176.600 0.006 0.000 1.052 488 K CA 0.686 56.974 56.287 0.002 0.000 0.969 488 K CB 0.385 32.881 32.500 -0.005 0.000 0.761 488 K HN 0.235 nan 8.250 nan 0.000 0.459 489 G N 1.945 110.749 108.800 0.006 0.000 2.168 489 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.263 489 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.263 489 G C -0.247 174.656 174.900 0.005 0.000 0.977 489 G CA 0.651 45.757 45.100 0.010 0.000 0.659 489 G HN 0.388 nan 8.290 nan 0.000 0.533 490 E N -1.108 119.091 120.200 -0.001 0.000 2.359 490 E HA 0.687 5.036 4.350 -0.001 0.000 0.266 490 E C -0.484 176.109 176.600 -0.012 0.000 0.920 490 E CA -1.041 55.358 56.400 -0.002 0.000 0.788 490 E CB 1.764 31.464 29.700 0.001 0.000 1.279 490 E HN 0.122 nan 8.360 nan 0.000 0.438 491 L N 2.046 123.263 121.223 -0.011 0.000 2.295 491 L HA 0.330 4.669 4.340 -0.001 0.000 0.281 491 L C -0.320 176.539 176.870 -0.018 0.000 1.018 491 L CA -0.477 54.349 54.840 -0.025 0.000 0.841 491 L CB 1.362 43.402 42.059 -0.031 0.000 1.218 491 L HN 0.430 nan 8.230 nan 0.000 0.424 492 S N 1.620 117.307 115.700 -0.022 0.000 2.614 492 S HA 0.151 4.620 4.470 -0.001 0.000 0.265 492 S C 1.016 175.607 174.600 -0.015 0.000 1.303 492 S CA -0.734 57.458 58.200 -0.014 0.000 1.000 492 S CB 1.511 64.702 63.200 -0.014 0.000 0.935 492 S HN 0.492 nan 8.310 nan 0.000 0.551 493 K N 1.648 122.045 120.400 -0.005 0.000 2.063 493 K HA -0.126 4.194 4.320 -0.001 0.000 0.208 493 K C 1.849 178.446 176.600 -0.006 0.000 1.048 493 K CA 1.544 57.832 56.287 0.001 0.000 0.928 493 K CB -0.220 32.285 32.500 0.008 0.000 0.713 493 K HN 0.515 nan 8.250 nan 0.000 0.442 494 E N 0.218 120.413 120.200 -0.009 0.000 2.152 494 E HA -0.051 4.298 4.350 -0.001 0.000 0.192 494 E C 1.854 178.438 176.600 -0.028 0.000 0.983 494 E CA 0.526 56.919 56.400 -0.012 0.000 0.818 494 E CB -0.059 29.636 29.700 -0.008 0.000 0.758 494 E HN 0.155 nan 8.360 nan 0.000 0.467 495 L N 0.233 121.434 121.223 -0.038 0.000 2.007 495 L HA -0.081 4.258 4.340 -0.001 0.000 0.205 495 L C 2.267 179.077 176.870 -0.099 0.000 1.073 495 L CA 0.934 55.738 54.840 -0.061 0.000 0.744 495 L CB -0.166 41.859 42.059 -0.056 0.000 0.898 495 L HN 0.220 nan 8.230 nan 0.000 0.435 496 L N -0.434 120.730 121.223 -0.097 0.000 2.127 496 L HA -0.219 4.120 4.340 -0.001 0.000 0.211 496 L C 2.527 179.308 176.870 -0.148 0.000 1.089 496 L CA 1.461 56.209 54.840 -0.154 0.000 0.757 496 L CB -0.262 41.752 42.059 -0.076 0.000 0.899 496 L HN 0.327 nan 8.230 nan 0.000 0.434 497 A N -1.438 121.344 122.820 -0.062 0.000 1.898 497 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 497 A C 2.460 180.022 177.584 -0.037 0.000 1.181 497 A CA 1.721 53.747 52.037 -0.019 0.000 0.620 497 A CB -0.841 18.162 19.000 0.006 0.000 0.819 497 A HN 0.481 nan 8.150 nan 0.000 0.442 498 S N -0.900 114.764 115.700 -0.060 0.000 2.423 498 S HA -0.108 4.362 4.470 -0.001 0.000 0.231 498 S C 1.859 176.387 174.600 -0.119 0.000 1.014 498 S CA 1.301 59.463 58.200 -0.063 0.000 0.965 498 S CB -0.461 62.706 63.200 -0.056 0.000 0.785 498 S HN 0.415 nan 8.310 nan 0.000 0.495 499 L N 2.007 123.112 121.223 -0.196 0.000 2.046 499 L HA 0.045 4.384 4.340 -0.001 0.000 0.208 499 L C 2.292 179.018 176.870 -0.240 0.000 1.077 499 L CA 1.987 56.642 54.840 -0.308 0.000 0.747 499 L CB -0.710 41.015 42.059 -0.556 0.000 0.896 499 L HN 0.248 nan 8.230 nan 0.000 0.432 500 K N -1.466 118.847 120.400 -0.145 0.000 2.057 500 K HA -0.186 4.134 4.320 -0.001 0.000 0.207 500 K C 2.372 179.055 176.600 0.138 0.000 1.049 500 K CA 1.507 57.885 56.287 0.152 0.000 0.931 500 K CB -0.264 32.398 32.500 0.269 0.000 0.714 500 K HN 0.363 nan 8.250 nan 0.000 0.440 501 S N -0.110 115.632 115.700 0.071 0.000 2.356 501 S HA -0.136 4.333 4.470 -0.001 0.000 0.223 501 S C 1.960 176.608 174.600 0.081 0.000 1.032 501 S CA 1.299 59.548 58.200 0.082 0.000 1.005 501 S CB -0.342 62.891 63.200 0.055 0.000 0.867 501 S HN 0.470 nan 8.310 nan 0.000 0.449 502 A N 0.379 123.182 122.820 -0.029 0.000 1.972 502 A HA -0.062 4.257 4.320 -0.001 0.000 0.219 502 A C 2.323 180.032 177.584 0.207 0.000 1.169 502 A CA 2.248 54.219 52.037 -0.109 0.000 0.635 502 A CB -1.398 17.315 19.000 -0.479 0.000 0.810 502 A HN 0.605 nan 8.150 nan 0.000 0.446 503 T N 0.007 114.679 114.554 0.198 0.000 2.698 503 T HA -0.107 4.242 4.350 -0.001 0.000 0.260 503 T C 1.678 176.521 174.700 0.239 0.000 1.044 503 T CA 1.511 63.748 62.100 0.229 0.000 1.149 503 T CB -0.325 68.591 68.868 0.080 0.000 0.864 503 T HN 0.652 nan 8.240 nan 0.000 0.419 504 E N 1.014 121.360 120.200 0.244 0.000 2.401 504 E HA -0.068 4.281 4.350 -0.001 0.000 0.199 504 E C 2.223 178.927 176.600 0.173 0.000 1.023 504 E CA 0.566 57.099 56.400 0.223 0.000 0.859 504 E CB -0.091 29.736 29.700 0.212 0.000 0.780 504 E HN 0.298 nan 8.360 nan 0.000 0.523 505 S N -0.251 115.578 115.700 0.213 0.000 2.414 505 S HA -0.083 4.386 4.470 -0.001 0.000 0.227 505 S C 1.470 176.167 174.600 0.162 0.000 1.022 505 S CA 0.398 58.725 58.200 0.210 0.000 0.958 505 S CB -0.062 63.327 63.200 0.316 0.000 0.797 505 S HN 0.324 nan 8.310 nan 0.000 0.493 506 F N 1.639 121.597 119.950 0.013 0.000 2.512 506 F HA 0.215 4.741 4.527 -0.001 0.000 0.296 506 F C 1.802 177.576 175.800 -0.043 0.000 1.110 506 F CA 0.465 58.375 58.000 -0.150 0.000 1.446 506 F CB -0.051 38.880 39.000 -0.114 0.000 1.092 506 F HN 0.028 nan 8.300 nan 0.000 0.554 507 V N 0.156 120.115 119.914 0.075 0.000 2.626 507 V HA -0.249 3.871 4.120 -0.001 0.000 0.252 507 V C 2.563 178.614 176.094 -0.071 0.000 1.067 507 V CA 1.553 63.865 62.300 0.019 0.000 1.081 507 V CB -1.483 30.378 31.823 0.064 0.000 0.686 507 V HN 0.405 nan 8.190 nan 0.000 0.468 508 A N -0.798 121.979 122.820 -0.072 0.000 1.874 508 A HA -0.047 4.272 4.320 -0.001 0.000 0.214 508 A C 1.778 179.279 177.584 -0.137 0.000 1.189 508 A CA 1.764 53.755 52.037 -0.076 0.000 0.615 508 A CB -0.388 18.593 19.000 -0.031 0.000 0.830 508 A HN 0.471 nan 8.150 nan 0.000 0.443 509 T N 0.000 114.418 114.554 -0.226 0.000 3.816 509 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 509 T CA 0.000 61.935 62.100 -0.275 0.000 1.349 509 T CB 0.000 68.700 68.868 -0.280 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658