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 3gqy_1_D DATA FIRST_RESID 14 DATA SEQUENCE QTQQLHAAMA DTFLEHMCRL DIDSPPITAR NTGIICTIGP ASRSVETLKE DATA SEQUENCE MIKSGMNVAR LNFSHGTHEY HAETIKNVRT ATESFASDPI LYRPVAVALD DATA SEQUENCE TKGPEIRTXX XXXXXXXXXE LKKGATLKIT LDNAYMEKCD ENILWLDYKN DATA SEQUENCE ICKVVEVGSK IYVDDGLISL QVKQKXXDFL VTEVENGGSL GSKKGVNLPG DATA SEQUENCE AAVDLPAVSE KDIQDLKFGV EQDVDMVFAS FIRKASDVHE VRKVLGEKGK DATA SEQUENCE NIKIISKIEN HEGVRRFDEI LEASDGIMVA RGDLGIEIPA EKVFLAQKMM DATA SEQUENCE IGRCNRAGKP VICATQMLES MIKKPRPTRA EGSDVANAVL DGADCIMLSG DATA SEQUENCE ETAKGDYPLE AVRMQHLIAR EAEAAIYHLQ LFEELRRLAP ITSDPTEATA DATA SEQUENCE VGAVEASFKC CSGAIIVLTK SGRSAHQVAR YRPRAPIIAV TRNPQTARQA DATA SEQUENCE HLYRGIFPVL CKDPVQEAWA EDVDLRVNFA MNVGKARGFF KKGDVVIVLT DATA SEQUENCE GWRPGSGFTN TMRVVPVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 Q HA 0.000 nan 4.340 nan 0.000 0.214 14 Q C 0.000 176.013 176.000 0.022 0.000 1.003 14 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 14 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 15 T N -1.220 113.353 114.554 0.031 0.000 2.952 15 T HA 0.428 4.779 4.350 0.001 0.000 0.286 15 T C 0.624 175.351 174.700 0.046 0.000 1.024 15 T CA 0.577 62.696 62.100 0.032 0.000 1.029 15 T CB 1.372 70.256 68.868 0.027 0.000 1.094 15 T HN 1.493 nan 8.240 nan 0.000 0.515 16 Q N 0.706 120.532 119.800 0.043 0.000 2.408 16 Q HA -0.338 4.003 4.340 0.001 0.000 0.290 16 Q C -0.266 175.787 176.000 0.088 0.000 1.221 16 Q CA 0.945 56.783 55.803 0.058 0.000 0.895 16 Q CB -2.153 26.618 28.738 0.054 0.000 1.241 16 Q HN 0.785 nan 8.270 nan 0.000 0.494 17 Q N -2.057 117.788 119.800 0.075 0.000 2.475 17 Q HA -0.210 4.131 4.340 0.001 0.000 0.280 17 Q C 0.658 176.736 176.000 0.131 0.000 1.234 17 Q CA 1.498 57.351 55.803 0.084 0.000 0.873 17 Q CB -2.101 26.680 28.738 0.072 0.000 1.256 17 Q HN 0.771 nan 8.270 nan 0.000 0.475 18 L N -1.111 120.188 121.223 0.127 0.000 2.291 18 L HA -0.144 4.197 4.340 0.001 0.000 0.214 18 L C 2.249 179.223 176.870 0.173 0.000 1.120 18 L CA 1.189 56.115 54.840 0.142 0.000 0.799 18 L CB -0.315 41.809 42.059 0.108 0.000 0.925 18 L HN 0.331 nan 8.230 nan 0.000 0.446 19 H N 0.470 119.571 119.070 0.051 0.000 2.326 19 H HA -0.098 4.459 4.556 0.001 0.000 0.301 19 H C 2.153 177.513 175.328 0.054 0.000 1.081 19 H CA 1.510 57.580 56.048 0.038 0.000 1.334 19 H CB 0.067 29.833 29.762 0.007 0.000 1.385 19 H HN 0.228 nan 8.280 nan 0.000 0.504 20 A N 0.798 123.609 122.820 -0.014 0.000 1.972 20 A HA -0.061 4.259 4.320 0.001 0.000 0.219 20 A C 2.606 180.353 177.584 0.271 0.000 1.169 20 A CA 1.680 53.680 52.037 -0.061 0.000 0.635 20 A CB -1.247 17.600 19.000 -0.256 0.000 0.810 20 A HN 0.596 nan 8.150 nan 0.000 0.446 21 A N -1.060 121.925 122.820 0.274 0.000 1.978 21 A HA -0.106 4.215 4.320 0.001 0.000 0.220 21 A C 1.967 179.695 177.584 0.239 0.000 1.170 21 A CA 1.804 54.029 52.037 0.313 0.000 0.636 21 A CB -0.396 18.750 19.000 0.243 0.000 0.810 21 A HN 0.426 nan 8.150 nan 0.000 0.448 22 M N -0.332 119.359 119.600 0.153 0.000 2.561 22 M HA 0.213 4.694 4.480 0.001 0.000 0.238 22 M C 1.060 177.418 176.300 0.097 0.000 1.131 22 M CA 0.039 55.403 55.300 0.105 0.000 1.046 22 M CB -1.395 31.254 32.600 0.082 0.000 1.532 22 M HN 0.384 nan 8.290 nan 0.000 0.497 23 A N 1.227 124.116 122.820 0.115 0.000 2.477 23 A HA 0.080 4.401 4.320 0.001 0.000 0.246 23 A C 0.724 178.415 177.584 0.180 0.000 1.078 23 A CA -0.061 52.012 52.037 0.059 0.000 0.770 23 A CB 0.162 19.129 19.000 -0.055 0.000 1.011 23 A HN 0.307 nan 8.150 nan 0.000 0.494 24 D N 0.493 120.958 120.400 0.108 0.000 2.347 24 D HA 0.018 4.659 4.640 0.001 0.000 0.213 24 D C 0.908 177.314 176.300 0.177 0.000 0.985 24 D CA 1.681 55.762 54.000 0.136 0.000 0.879 24 D CB 0.052 40.895 40.800 0.071 0.000 0.919 24 D HN 0.727 nan 8.370 nan 0.000 0.526 25 T N -3.652 110.972 114.554 0.117 0.000 2.916 25 T HA 0.314 4.664 4.350 0.001 0.000 0.292 25 T C 0.673 175.328 174.700 -0.074 0.000 1.055 25 T CA -0.913 61.248 62.100 0.103 0.000 1.009 25 T CB 1.517 70.415 68.868 0.050 0.000 1.118 25 T HN -0.139 nan 8.240 nan 0.000 0.497 26 F N 1.007 120.861 119.950 -0.161 0.000 2.134 26 F HA 0.009 4.536 4.527 0.000 0.000 0.299 26 F C 1.976 177.658 175.800 -0.196 0.000 1.097 26 F CA 1.246 59.040 58.000 -0.344 0.000 1.264 26 F CB -0.194 38.739 39.000 -0.110 0.000 1.001 26 F HN 0.544 nan 8.300 nan 0.000 0.479 27 L N 1.052 122.242 121.223 -0.056 0.000 1.990 27 L HA -0.256 4.084 4.340 0.001 0.000 0.213 27 L C 2.273 179.009 176.870 -0.223 0.000 1.072 27 L CA 2.474 57.239 54.840 -0.124 0.000 0.755 27 L CB -1.194 40.854 42.059 -0.019 0.000 0.889 27 L HN 0.262 nan 8.230 nan 0.000 0.432 28 E N -1.431 118.662 120.200 -0.180 0.000 2.150 28 E HA -0.284 4.066 4.350 0.001 0.000 0.193 28 E C 2.214 178.652 176.600 -0.269 0.000 0.985 28 E CA 1.532 57.822 56.400 -0.182 0.000 0.814 28 E CB -0.321 29.309 29.700 -0.117 0.000 0.752 28 E HN 0.737 nan 8.360 nan 0.000 0.466 29 H N -0.213 118.556 119.070 -0.502 0.000 2.290 29 H HA -0.103 4.453 4.556 0.001 0.000 0.298 29 H C 1.932 176.941 175.328 -0.532 0.000 1.087 29 H CA 2.542 58.231 56.048 -0.599 0.000 1.291 29 H CB -0.198 28.934 29.762 -1.051 0.000 1.369 29 H HN 0.178 nan 8.280 nan 0.000 0.492 30 M N -0.764 118.409 119.600 -0.711 0.000 2.073 30 M HA -0.252 4.228 4.480 0.001 0.000 0.258 30 M C 2.579 178.658 176.300 -0.368 0.000 1.070 30 M CA 1.799 56.758 55.300 -0.568 0.000 1.103 30 M CB -0.463 31.855 32.600 -0.470 0.000 1.321 30 M HN 0.423 nan 8.290 nan 0.000 0.405 31 C N -0.164 118.963 119.300 -0.288 0.000 2.410 31 C HA -0.127 4.334 4.460 0.001 0.000 0.281 31 C C 2.503 177.390 174.990 -0.173 0.000 1.318 31 C CA 0.877 59.782 59.018 -0.189 0.000 1.776 31 C CB -1.341 26.313 27.740 -0.142 0.000 1.942 31 C HN 0.463 nan 8.230 nan 0.000 0.508 32 R N -0.213 120.146 120.500 -0.236 0.000 2.312 32 R HA 0.231 4.571 4.340 0.001 0.000 0.205 32 R C 0.222 176.426 176.300 -0.161 0.000 0.904 32 R CA -0.144 55.852 56.100 -0.173 0.000 1.052 32 R CB -0.043 30.094 30.300 -0.273 0.000 1.014 32 R HN 0.470 nan 8.270 nan 0.000 0.503 33 L N 2.302 123.372 121.223 -0.255 0.000 2.578 33 L HA -0.055 4.285 4.340 0.001 0.000 0.279 33 L C -0.107 176.699 176.870 -0.106 0.000 1.227 33 L CA 0.531 55.246 54.840 -0.208 0.000 0.900 33 L CB 0.040 41.954 42.059 -0.242 0.000 1.144 33 L HN -0.015 nan 8.230 nan 0.000 0.496 34 D N 3.515 123.877 120.400 -0.064 0.000 2.542 34 D HA 0.205 4.845 4.640 0.001 0.000 0.252 34 D C 0.738 177.023 176.300 -0.026 0.000 1.222 34 D CA -0.579 53.402 54.000 -0.032 0.000 0.895 34 D CB 1.346 42.144 40.800 -0.004 0.000 1.207 34 D HN 0.449 nan 8.370 nan 0.000 0.558 35 I N -0.115 120.439 120.570 -0.027 0.000 2.850 35 I HA 0.007 4.177 4.170 0.001 0.000 0.266 35 I C 0.242 176.350 176.117 -0.014 0.000 1.257 35 I CA 0.881 62.168 61.300 -0.022 0.000 1.465 35 I CB 0.201 38.188 38.000 -0.022 0.000 1.091 35 I HN 0.048 nan 8.210 nan 0.000 0.467 36 D N 1.077 121.470 120.400 -0.012 0.000 2.363 36 D HA 0.086 4.726 4.640 0.001 0.000 0.214 36 D C 0.536 176.834 176.300 -0.004 0.000 1.093 36 D CA 0.283 54.278 54.000 -0.009 0.000 0.837 36 D CB 0.593 41.387 40.800 -0.011 0.000 0.948 36 D HN 0.240 nan 8.370 nan 0.000 0.507 37 S N 2.735 118.435 115.700 -0.001 0.000 2.409 37 S HA 0.267 4.737 4.470 0.001 0.000 0.308 37 S C -2.491 172.114 174.600 0.008 0.000 1.080 37 S CA -1.408 56.797 58.200 0.008 0.000 1.081 37 S CB 0.653 63.864 63.200 0.018 0.000 1.009 37 S HN -0.099 nan 8.310 nan 0.000 0.502 38 P HA 0.308 nan 4.420 nan 0.000 0.271 38 P C -2.713 174.594 177.300 0.011 0.000 1.216 38 P CA -1.475 61.630 63.100 0.007 0.000 0.776 38 P CB 0.111 31.816 31.700 0.008 0.000 0.881 39 P HA 0.214 nan 4.420 nan 0.000 0.277 39 P C 0.358 177.662 177.300 0.006 0.000 1.271 39 P CA -0.459 62.645 63.100 0.007 0.000 0.795 39 P CB 0.452 32.146 31.700 -0.010 0.000 1.101 40 I N -2.666 117.906 120.570 0.003 0.000 3.269 40 I HA 0.137 4.307 4.170 0.001 0.000 0.287 40 I C 1.064 177.182 176.117 0.001 0.000 1.152 40 I CA -0.316 60.985 61.300 0.001 0.000 1.263 40 I CB -0.623 37.365 38.000 -0.020 0.000 1.439 40 I HN 0.175 nan 8.210 nan 0.000 0.637 41 T N 1.940 116.512 114.554 0.030 0.000 2.821 41 T HA 0.012 4.362 4.350 0.001 0.000 0.267 41 T C 1.050 175.780 174.700 0.050 0.000 1.046 41 T CA 1.164 63.312 62.100 0.080 0.000 1.139 41 T CB -0.363 68.601 68.868 0.159 0.000 0.871 41 T HN 0.757 nan 8.240 nan 0.000 0.454 42 A N 2.313 125.055 122.820 -0.130 0.000 2.488 42 A HA 0.413 4.733 4.320 0.001 0.000 0.249 42 A C 0.565 178.066 177.584 -0.137 0.000 1.083 42 A CA -0.232 51.589 52.037 -0.359 0.000 0.768 42 A CB 0.110 18.618 19.000 -0.820 0.000 1.017 42 A HN 0.234 nan 8.150 nan 0.000 0.496 43 R N 2.825 123.314 120.500 -0.018 0.000 2.360 43 R HA 0.213 4.554 4.340 0.001 0.000 0.318 43 R C -0.629 175.718 176.300 0.078 0.000 0.950 43 R CA -0.602 55.520 56.100 0.037 0.000 0.837 43 R CB 0.750 31.114 30.300 0.106 0.000 1.165 43 R HN 0.844 nan 8.270 nan 0.000 0.458 44 N N 1.198 119.930 118.700 0.053 0.000 2.376 44 N HA -0.017 4.723 4.740 0.001 0.000 0.177 44 N C -0.259 175.319 175.510 0.114 0.000 1.024 44 N CA 0.778 53.879 53.050 0.085 0.000 0.893 44 N CB 0.329 38.858 38.487 0.070 0.000 0.980 44 N HN 0.457 nan 8.380 nan 0.000 0.439 45 T N 0.825 115.435 114.554 0.094 0.000 2.761 45 T HA 0.374 4.725 4.350 0.001 0.000 0.296 45 T C 0.750 175.507 174.700 0.094 0.000 0.934 45 T CA -0.597 61.553 62.100 0.084 0.000 1.091 45 T CB 1.127 70.029 68.868 0.057 0.000 0.896 45 T HN 0.115 nan 8.240 nan 0.000 0.515 46 G N 2.902 111.758 108.800 0.093 0.000 2.380 46 G HA2 0.429 4.390 3.960 0.001 0.000 0.242 46 G HA3 0.429 4.390 3.960 0.001 0.000 0.242 46 G C -0.320 174.605 174.900 0.041 0.000 1.298 46 G CA -0.459 44.687 45.100 0.076 0.000 0.878 46 G HN 0.762 nan 8.290 nan 0.000 0.542 47 I N 2.114 122.692 120.570 0.013 0.000 2.362 47 I HA 0.293 4.463 4.170 0.001 0.000 0.289 47 I C -0.118 176.004 176.117 0.008 0.000 0.994 47 I CA -0.454 60.857 61.300 0.018 0.000 1.158 47 I CB 1.695 39.711 38.000 0.027 0.000 1.315 47 I HN 0.233 nan 8.210 nan 0.000 0.451 48 I N 5.932 126.526 120.570 0.040 0.000 2.321 48 I HA 0.317 4.487 4.170 0.001 0.000 0.291 48 I C -0.656 175.507 176.117 0.076 0.000 0.998 48 I CA -0.352 60.995 61.300 0.077 0.000 1.227 48 I CB 1.205 39.286 38.000 0.136 0.000 1.368 48 I HN 0.519 nan 8.210 nan 0.000 0.466 49 C N 4.140 123.481 119.300 0.068 0.000 2.298 49 C HA 0.369 4.830 4.460 0.001 0.000 0.323 49 C C 0.696 175.737 174.990 0.085 0.000 1.284 49 C CA -0.628 58.429 59.018 0.067 0.000 1.577 49 C CB 0.873 28.640 27.740 0.044 0.000 2.249 49 C HN 0.666 nan 8.230 nan 0.000 0.497 50 T N 5.373 119.985 114.554 0.097 0.000 2.799 50 T HA 0.241 4.591 4.350 0.001 0.000 0.296 50 T C 0.374 175.132 174.700 0.098 0.000 0.947 50 T CA 0.095 62.261 62.100 0.110 0.000 1.141 50 T CB -0.094 68.845 68.868 0.118 0.000 0.891 50 T HN 0.357 nan 8.240 nan 0.000 0.533 51 I N 3.250 123.883 120.570 0.104 0.000 2.396 51 I HA 0.657 4.828 4.170 0.001 0.000 0.292 51 I C 0.956 177.150 176.117 0.128 0.000 0.999 51 I CA -0.182 61.176 61.300 0.097 0.000 1.310 51 I CB 0.777 38.826 38.000 0.082 0.000 1.404 51 I HN 0.801 nan 8.210 nan 0.000 0.496 52 G N 5.909 114.776 108.800 0.112 0.000 2.650 52 G HA2 0.428 4.388 3.960 0.001 0.000 0.310 52 G HA3 0.428 4.388 3.960 0.001 0.000 0.310 52 G C -2.618 172.349 174.900 0.111 0.000 1.270 52 G CA -0.336 44.850 45.100 0.143 0.000 0.810 52 G HN 0.257 nan 8.290 nan 0.000 0.493 53 P HA -0.077 nan 4.420 nan 0.000 0.217 53 P C 1.871 179.197 177.300 0.042 0.000 1.151 53 P CA 2.499 65.647 63.100 0.080 0.000 0.849 53 P CB 0.117 31.851 31.700 0.058 0.000 0.787 54 A N -0.879 121.962 122.820 0.035 0.000 2.119 54 A HA -0.006 4.315 4.320 0.001 0.000 0.216 54 A C 1.764 179.359 177.584 0.020 0.000 1.152 54 A CA 1.599 53.646 52.037 0.016 0.000 0.708 54 A CB -0.700 18.306 19.000 0.010 0.000 0.805 54 A HN 0.328 nan 8.150 nan 0.000 0.460 55 S N -2.335 113.384 115.700 0.032 0.000 2.900 55 S HA 0.253 4.724 4.470 0.001 0.000 0.253 55 S C 1.098 175.713 174.600 0.026 0.000 1.029 55 S CA 0.001 58.220 58.200 0.032 0.000 1.096 55 S CB -0.069 63.156 63.200 0.042 0.000 1.067 55 S HN 0.486 nan 8.310 nan 0.000 0.610 56 R N 2.623 123.134 120.500 0.017 0.000 2.200 56 R HA 0.150 4.491 4.340 0.001 0.000 0.208 56 R C 0.810 177.100 176.300 -0.016 0.000 1.033 56 R CA 0.888 56.984 56.100 -0.007 0.000 1.000 56 R CB 0.018 30.302 30.300 -0.026 0.000 0.906 56 R HN 0.526 nan 8.270 nan 0.000 0.462 57 S N -0.837 114.861 115.700 -0.005 0.000 2.576 57 S HA 0.037 4.507 4.470 0.001 0.000 0.276 57 S C 1.428 176.030 174.600 0.004 0.000 1.339 57 S CA -0.743 57.454 58.200 -0.006 0.000 1.039 57 S CB 1.802 65.001 63.200 -0.002 0.000 0.902 57 S HN -0.038 nan 8.310 nan 0.000 0.516 58 V N 2.130 122.045 119.914 0.001 0.000 2.332 58 V HA -0.142 3.979 4.120 0.001 0.000 0.248 58 V C 2.690 178.794 176.094 0.017 0.000 1.055 58 V CA 2.131 64.436 62.300 0.009 0.000 1.038 58 V CB -0.913 30.909 31.823 -0.002 0.000 0.651 58 V HN 0.857 nan 8.190 nan 0.000 0.450 59 E N -0.179 120.027 120.200 0.011 0.000 2.106 59 E HA -0.136 4.214 4.350 0.001 0.000 0.192 59 E C 2.330 178.949 176.600 0.031 0.000 0.984 59 E CA 1.681 58.091 56.400 0.016 0.000 0.806 59 E CB -0.540 29.165 29.700 0.007 0.000 0.750 59 E HN 0.597 nan 8.360 nan 0.000 0.458 60 T N 1.747 116.317 114.554 0.027 0.000 2.857 60 T HA -0.015 4.336 4.350 0.001 0.000 0.266 60 T C 2.154 176.881 174.700 0.045 0.000 1.048 60 T CA 0.483 62.602 62.100 0.032 0.000 1.139 60 T CB -0.166 68.715 68.868 0.022 0.000 0.874 60 T HN 0.054 nan 8.240 nan 0.000 0.455 61 L N 0.651 121.902 121.223 0.046 0.000 2.079 61 L HA -0.149 4.191 4.340 0.001 0.000 0.210 61 L C 2.643 179.572 176.870 0.097 0.000 1.081 61 L CA 1.437 56.312 54.840 0.058 0.000 0.752 61 L CB -0.455 41.635 42.059 0.052 0.000 0.896 61 L HN 0.221 nan 8.230 nan 0.000 0.433 62 K N -0.406 120.071 120.400 0.130 0.000 2.032 62 K HA -0.195 4.126 4.320 0.001 0.000 0.209 62 K C 2.064 178.786 176.600 0.203 0.000 1.048 62 K CA 1.340 57.773 56.287 0.243 0.000 0.927 62 K CB -0.124 32.476 32.500 0.168 0.000 0.712 62 K HN 0.237 nan 8.250 nan 0.000 0.441 63 E N 0.341 120.611 120.200 0.116 0.000 2.150 63 E HA -0.104 4.247 4.350 0.001 0.000 0.193 63 E C 1.991 178.614 176.600 0.039 0.000 0.985 63 E CA 0.881 57.327 56.400 0.076 0.000 0.814 63 E CB -0.052 29.683 29.700 0.057 0.000 0.752 63 E HN 0.315 nan 8.360 nan 0.000 0.466 64 M N 0.067 119.689 119.600 0.036 0.000 2.117 64 M HA -0.097 4.383 4.480 0.001 0.000 0.262 64 M C 2.433 178.716 176.300 -0.028 0.000 1.065 64 M CA 1.095 56.402 55.300 0.011 0.000 1.114 64 M CB -0.686 31.926 32.600 0.020 0.000 1.361 64 M HN 0.086 nan 8.290 nan 0.000 0.408 65 I N 0.054 120.604 120.570 -0.034 0.000 2.202 65 I HA -0.297 3.873 4.170 0.001 0.000 0.242 65 I C 2.303 178.304 176.117 -0.194 0.000 1.091 65 I CA 1.288 62.509 61.300 -0.131 0.000 1.368 65 I CB -0.352 37.548 38.000 -0.165 0.000 1.058 65 I HN 0.275 nan 8.210 nan 0.000 0.410 66 K N 0.332 120.643 120.400 -0.149 0.000 2.147 66 K HA -0.101 4.220 4.320 0.001 0.000 0.205 66 K C 2.150 178.677 176.600 -0.121 0.000 1.049 66 K CA 1.400 57.603 56.287 -0.140 0.000 0.936 66 K CB -0.130 32.354 32.500 -0.026 0.000 0.722 66 K HN 0.144 nan 8.250 nan 0.000 0.446 67 S N -0.907 114.740 115.700 -0.088 0.000 2.489 67 S HA 0.022 4.493 4.470 0.001 0.000 0.228 67 S C 1.229 175.737 174.600 -0.153 0.000 0.995 67 S CA 0.975 59.120 58.200 -0.091 0.000 0.934 67 S CB 0.506 63.690 63.200 -0.027 0.000 0.771 67 S HN 0.628 nan 8.310 nan 0.000 0.522 68 G N 0.758 109.470 108.800 -0.147 0.000 2.370 68 G HA2 -0.156 3.804 3.960 0.001 0.000 0.174 68 G HA3 -0.156 3.804 3.960 0.001 0.000 0.174 68 G C 0.066 174.909 174.900 -0.095 0.000 1.002 68 G CA -0.263 44.750 45.100 -0.144 0.000 0.730 68 G HN 0.377 nan 8.290 nan 0.000 0.497 69 M N 1.238 120.783 119.600 -0.091 0.000 2.269 69 M HA 0.286 4.766 4.480 0.001 0.000 0.350 69 M C 0.990 177.181 176.300 -0.183 0.000 1.429 69 M CA 1.027 56.271 55.300 -0.093 0.000 1.063 69 M CB 0.121 32.686 32.600 -0.058 0.000 1.841 69 M HN 0.250 nan 8.290 nan 0.000 0.455 70 N N 2.608 121.163 118.700 -0.243 0.000 2.407 70 N HA 0.181 4.921 4.740 0.001 0.000 0.182 70 N C -1.062 174.241 175.510 -0.344 0.000 1.079 70 N CA -0.168 52.560 53.050 -0.537 0.000 0.882 70 N CB 0.948 38.950 38.487 -0.808 0.000 1.106 70 N HN 0.398 nan 8.380 nan 0.000 0.461 71 V N 0.801 120.635 119.914 -0.133 0.000 2.638 71 V HA 0.683 4.803 4.120 0.001 0.000 0.306 71 V C -0.954 175.144 176.094 0.008 0.000 1.052 71 V CA -1.259 61.029 62.300 -0.020 0.000 0.885 71 V CB 1.625 33.488 31.823 0.066 0.000 0.999 71 V HN 0.097 nan 8.190 nan 0.000 0.424 72 A N 4.731 127.555 122.820 0.007 0.000 2.252 72 A HA 0.710 5.031 4.320 0.001 0.000 0.309 72 A C 0.045 177.641 177.584 0.020 0.000 1.285 72 A CA -0.463 51.589 52.037 0.024 0.000 0.900 72 A CB 0.308 19.321 19.000 0.022 0.000 1.157 72 A HN 0.870 nan 8.150 nan 0.000 0.536 73 R N 3.436 123.970 120.500 0.056 0.000 2.312 73 R HA 0.593 4.934 4.340 0.001 0.000 0.311 73 R C -1.454 174.894 176.300 0.080 0.000 1.004 73 R CA -0.450 55.681 56.100 0.051 0.000 0.902 73 R CB 0.542 30.947 30.300 0.175 0.000 1.073 73 R HN 0.696 nan 8.270 nan 0.000 0.457 74 L N 4.221 125.485 121.223 0.069 0.000 2.298 74 L HA 0.305 4.645 4.340 0.001 0.000 0.284 74 L C -0.307 176.661 176.870 0.164 0.000 1.013 74 L CA -0.974 53.938 54.840 0.120 0.000 0.824 74 L CB 1.567 43.705 42.059 0.131 0.000 1.221 74 L HN 0.631 nan 8.230 nan 0.000 0.418 75 N N 2.778 121.577 118.700 0.163 0.000 2.415 75 N HA 0.138 4.879 4.740 0.001 0.000 0.246 75 N C 0.092 175.701 175.510 0.165 0.000 1.078 75 N CA -0.129 53.035 53.050 0.191 0.000 0.942 75 N CB 0.578 39.175 38.487 0.182 0.000 1.140 75 N HN 0.329 nan 8.380 nan 0.000 0.501 76 F N 1.380 121.306 119.950 -0.040 0.000 2.731 76 F HA 0.135 4.662 4.527 0.001 0.000 0.304 76 F C 2.091 177.902 175.800 0.018 0.000 1.133 76 F CA 0.035 58.034 58.000 -0.002 0.000 1.380 76 F CB 0.014 38.982 39.000 -0.053 0.000 1.079 76 F HN 0.454 nan 8.300 nan 0.000 0.550 77 S N -1.378 114.362 115.700 0.065 0.000 2.419 77 S HA -0.088 4.382 4.470 0.001 0.000 0.233 77 S C 0.509 174.811 174.600 -0.497 0.000 1.016 77 S CA 1.000 59.074 58.200 -0.209 0.000 0.974 77 S CB -0.261 62.771 63.200 -0.280 0.000 0.786 77 S HN 0.313 nan 8.310 nan 0.000 0.492 78 H N -1.177 117.938 119.070 0.076 0.000 2.946 78 H HA 0.540 5.097 4.556 0.001 0.000 0.365 78 H C 0.372 175.669 175.328 -0.052 0.000 1.197 78 H CA -0.105 55.938 56.048 -0.007 0.000 1.131 78 H CB 1.228 30.959 29.762 -0.051 0.000 1.849 78 H HN 0.313 nan 8.280 nan 0.000 0.555 79 G N 0.978 109.722 108.800 -0.093 0.000 2.721 79 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 79 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 79 G C 0.062 174.777 174.900 -0.308 0.000 1.236 79 G CA -0.308 44.529 45.100 -0.438 0.000 0.786 79 G HN 0.846 nan 8.290 nan 0.000 0.616 80 T N -1.189 113.193 114.554 -0.287 0.000 2.816 80 T HA 0.505 4.855 4.350 0.001 0.000 0.282 80 T C 1.385 176.057 174.700 -0.047 0.000 0.993 80 T CA 0.552 62.579 62.100 -0.121 0.000 0.994 80 T CB 1.138 69.956 68.868 -0.083 0.000 1.025 80 T HN 0.677 nan 8.240 nan 0.000 0.529 81 H N 0.450 119.385 119.070 -0.225 0.000 2.353 81 H HA -0.049 4.508 4.556 0.001 0.000 0.300 81 H C 2.743 177.963 175.328 -0.180 0.000 1.090 81 H CA 1.407 57.166 56.048 -0.482 0.000 1.327 81 H CB -0.101 29.195 29.762 -0.777 0.000 1.383 81 H HN 0.913 nan 8.280 nan 0.000 0.508 82 E N 1.314 121.553 120.200 0.065 0.000 2.110 82 E HA -0.228 4.123 4.350 0.001 0.000 0.193 82 E C 1.773 178.425 176.600 0.088 0.000 0.988 82 E CA 1.316 57.775 56.400 0.098 0.000 0.804 82 E CB -1.079 28.660 29.700 0.066 0.000 0.745 82 E HN 0.617 nan 8.360 nan 0.000 0.458 83 Y N 0.799 121.041 120.300 -0.097 0.000 2.114 83 Y HA -0.241 4.309 4.550 0.001 0.000 0.284 83 Y C 2.599 178.416 175.900 -0.138 0.000 1.143 83 Y CA 2.423 60.421 58.100 -0.170 0.000 1.135 83 Y CB -0.079 38.185 38.460 -0.327 0.000 0.980 83 Y HN 0.397 nan 8.280 nan 0.000 0.499 84 H N -0.567 118.561 119.070 0.097 0.000 2.389 84 H HA -0.035 4.522 4.556 0.001 0.000 0.299 84 H C 2.357 177.782 175.328 0.161 0.000 1.081 84 H CA 1.112 57.195 56.048 0.058 0.000 1.345 84 H CB -0.809 28.930 29.762 -0.038 0.000 1.393 84 H HN 0.510 nan 8.280 nan 0.000 0.520 85 A N 1.055 124.118 122.820 0.405 0.000 1.940 85 A HA -0.225 4.096 4.320 0.001 0.000 0.219 85 A C 2.372 180.031 177.584 0.125 0.000 1.176 85 A CA 1.914 54.151 52.037 0.335 0.000 0.631 85 A CB -0.441 18.790 19.000 0.386 0.000 0.814 85 A HN 0.532 nan 8.150 nan 0.000 0.446 86 E N -0.905 119.315 120.200 0.032 0.000 2.107 86 E HA -0.130 4.220 4.350 0.001 0.000 0.191 86 E C 1.889 178.441 176.600 -0.080 0.000 0.982 86 E CA 1.442 57.814 56.400 -0.047 0.000 0.809 86 E CB -0.111 29.521 29.700 -0.112 0.000 0.756 86 E HN 0.561 nan 8.360 nan 0.000 0.459 87 T N 1.268 115.750 114.554 -0.120 0.000 2.708 87 T HA -0.121 4.229 4.350 0.001 0.000 0.266 87 T C 1.890 176.593 174.700 0.005 0.000 1.037 87 T CA 1.319 63.370 62.100 -0.082 0.000 1.146 87 T CB -0.177 68.651 68.868 -0.066 0.000 0.865 87 T HN 0.182 nan 8.240 nan 0.000 0.435 88 I N 1.039 121.638 120.570 0.049 0.000 2.163 88 I HA -0.209 3.961 4.170 0.001 0.000 0.243 88 I C 2.641 178.774 176.117 0.026 0.000 1.085 88 I CA 1.384 62.712 61.300 0.046 0.000 1.347 88 I CB -0.360 37.671 38.000 0.052 0.000 1.044 88 I HN 0.215 nan 8.210 nan 0.000 0.408 89 K N 1.144 121.557 120.400 0.022 0.000 2.032 89 K HA -0.237 4.083 4.320 0.001 0.000 0.209 89 K C 1.891 178.499 176.600 0.012 0.000 1.048 89 K CA 2.008 58.305 56.287 0.015 0.000 0.927 89 K CB -0.084 32.424 32.500 0.013 0.000 0.712 89 K HN 0.250 nan 8.250 nan 0.000 0.441 90 N N 0.553 119.254 118.700 0.001 0.000 2.166 90 N HA -0.128 4.612 4.740 0.001 0.000 0.186 90 N C 1.803 177.326 175.510 0.022 0.000 1.019 90 N CA 1.160 54.211 53.050 0.002 0.000 0.856 90 N CB -0.403 38.074 38.487 -0.016 0.000 0.993 90 N HN 0.018 nan 8.380 nan 0.000 0.426 91 V N 1.453 121.383 119.914 0.026 0.000 2.287 91 V HA -0.215 3.906 4.120 0.001 0.000 0.248 91 V C 2.242 178.370 176.094 0.057 0.000 1.053 91 V CA 1.638 63.962 62.300 0.041 0.000 1.027 91 V CB -0.345 31.500 31.823 0.035 0.000 0.646 91 V HN 0.299 nan 8.190 nan 0.000 0.447 92 R N -0.608 119.923 120.500 0.051 0.000 2.090 92 R HA -0.081 4.260 4.340 0.001 0.000 0.228 92 R C 2.392 178.734 176.300 0.070 0.000 1.110 92 R CA 1.630 57.770 56.100 0.067 0.000 0.973 92 R CB -0.668 29.661 30.300 0.049 0.000 0.869 92 R HN 0.495 nan 8.270 nan 0.000 0.440 93 T N 1.253 115.835 114.554 0.046 0.000 2.652 93 T HA -0.192 4.159 4.350 0.001 0.000 0.267 93 T C 2.023 176.749 174.700 0.043 0.000 1.039 93 T CA 1.641 63.761 62.100 0.033 0.000 1.153 93 T CB -0.324 68.552 68.868 0.013 0.000 0.863 93 T HN 0.380 nan 8.240 nan 0.000 0.428 94 A N 1.318 124.173 122.820 0.060 0.000 1.883 94 A HA -0.158 4.163 4.320 0.001 0.000 0.217 94 A C 2.584 180.290 177.584 0.203 0.000 1.186 94 A CA 2.274 54.368 52.037 0.094 0.000 0.624 94 A CB -1.355 17.712 19.000 0.112 0.000 0.822 94 A HN 0.497 nan 8.150 nan 0.000 0.444 95 T N 0.067 114.747 114.554 0.209 0.000 2.708 95 T HA -0.098 4.253 4.350 0.001 0.000 0.266 95 T C 1.610 176.557 174.700 0.412 0.000 1.037 95 T CA 1.518 63.790 62.100 0.286 0.000 1.146 95 T CB -0.229 68.745 68.868 0.176 0.000 0.865 95 T HN 0.455 nan 8.240 nan 0.000 0.435 96 E N 1.471 121.836 120.200 0.275 0.000 2.482 96 E HA 0.009 4.360 4.350 0.001 0.000 0.196 96 E C 2.405 179.080 176.600 0.126 0.000 1.047 96 E CA 0.444 56.983 56.400 0.233 0.000 0.869 96 E CB -0.407 29.361 29.700 0.114 0.000 0.836 96 E HN 0.649 nan 8.360 nan 0.000 0.520 97 S N -0.247 115.469 115.700 0.026 0.000 2.447 97 S HA -0.091 4.379 4.470 0.001 0.000 0.233 97 S C 1.443 175.870 174.600 -0.289 0.000 1.006 97 S CA 0.484 58.570 58.200 -0.191 0.000 0.957 97 S CB -0.442 62.544 63.200 -0.357 0.000 0.773 97 S HN 0.150 nan 8.310 nan 0.000 0.507 98 F N 1.264 121.302 119.950 0.147 0.000 2.727 98 F HA 0.570 5.098 4.527 0.001 0.000 0.302 98 F C 2.242 178.206 175.800 0.274 0.000 1.097 98 F CA -0.119 57.991 58.000 0.183 0.000 1.330 98 F CB -0.272 38.827 39.000 0.166 0.000 1.084 98 F HN 0.284 nan 8.300 nan 0.000 0.578 99 A N 0.069 123.080 122.820 0.318 0.000 2.066 99 A HA -0.115 4.205 4.320 0.001 0.000 0.218 99 A C 2.337 179.926 177.584 0.009 0.000 1.157 99 A CA 1.435 53.501 52.037 0.048 0.000 0.670 99 A CB -0.865 18.056 19.000 -0.132 0.000 0.804 99 A HN 0.364 nan 8.150 nan 0.000 0.453 100 S N -0.284 115.448 115.700 0.053 0.000 2.400 100 S HA -0.152 4.319 4.470 0.001 0.000 0.232 100 S C 0.682 175.314 174.600 0.052 0.000 1.025 100 S CA 1.170 59.387 58.200 0.029 0.000 0.993 100 S CB -0.302 62.913 63.200 0.024 0.000 0.808 100 S HN 0.490 nan 8.310 nan 0.000 0.478 101 D N 2.127 122.592 120.400 0.109 0.000 2.472 101 D HA 0.428 5.068 4.640 0.001 0.000 0.234 101 D C -2.201 174.212 176.300 0.189 0.000 1.088 101 D CA -2.704 51.373 54.000 0.130 0.000 0.882 101 D CB 1.663 42.543 40.800 0.134 0.000 1.037 101 D HN -0.012 nan 8.370 nan 0.000 0.520 102 P HA -0.059 nan 4.420 nan 0.000 0.222 102 P C 1.581 179.144 177.300 0.438 0.000 1.147 102 P CA 0.307 63.562 63.100 0.259 0.000 0.790 102 P CB 0.400 32.182 31.700 0.138 0.000 0.780 103 I N -1.152 119.621 120.570 0.339 0.000 2.252 103 I HA -0.145 4.025 4.170 0.001 0.000 0.245 103 I C 2.045 178.225 176.117 0.105 0.000 1.102 103 I CA 1.601 63.007 61.300 0.178 0.000 1.385 103 I CB -1.230 36.825 38.000 0.092 0.000 1.064 103 I HN 0.035 nan 8.210 nan 0.000 0.414 104 L N -1.313 120.000 121.223 0.150 0.000 2.590 104 L HA 0.045 4.385 4.340 0.001 0.000 0.227 104 L C 0.674 177.644 176.870 0.166 0.000 1.099 104 L CA -0.263 54.647 54.840 0.118 0.000 0.872 104 L CB -0.280 41.838 42.059 0.097 0.000 1.088 104 L HN 0.085 nan 8.230 nan 0.000 0.479 105 Y N 2.611 122.980 120.300 0.116 0.000 2.717 105 Y HA 0.023 4.574 4.550 0.001 0.000 0.330 105 Y C 0.367 176.294 175.900 0.045 0.000 1.217 105 Y CA -0.076 58.089 58.100 0.109 0.000 1.506 105 Y CB 0.269 38.812 38.460 0.138 0.000 1.268 105 Y HN 0.000 nan 8.280 nan 0.000 0.561 106 R N 7.927 128.056 120.500 -0.619 0.000 2.310 106 R HA 0.345 4.686 4.340 0.001 0.000 0.324 106 R C -2.558 173.262 176.300 -0.801 0.000 0.955 106 R CA -1.959 53.802 56.100 -0.566 0.000 0.830 106 R CB 0.938 31.012 30.300 -0.376 0.000 1.154 106 R HN 0.502 nan 8.270 nan 0.000 0.458 107 P HA -0.000 nan 4.420 nan 0.000 0.267 107 P C -0.831 176.465 177.300 -0.007 0.000 1.200 107 P CA -0.135 62.846 63.100 -0.198 0.000 0.772 107 P CB 0.726 32.419 31.700 -0.012 0.000 0.855 108 V N 2.127 122.040 119.914 -0.001 0.000 2.525 108 V HA 0.582 4.702 4.120 0.001 0.000 0.299 108 V C 0.275 176.407 176.094 0.062 0.000 1.034 108 V CA -0.882 61.419 62.300 0.001 0.000 0.863 108 V CB 1.466 33.262 31.823 -0.044 0.000 0.999 108 V HN 0.684 nan 8.190 nan 0.000 0.423 109 A N 4.543 127.417 122.820 0.090 0.000 2.304 109 A HA 0.819 5.139 4.320 0.001 0.000 0.271 109 A C -0.408 177.188 177.584 0.019 0.000 1.091 109 A CA -0.405 51.677 52.037 0.076 0.000 0.812 109 A CB 1.016 20.088 19.000 0.119 0.000 1.056 109 A HN 0.758 nan 8.150 nan 0.000 0.489 110 V N 0.767 120.674 119.914 -0.010 0.000 2.409 110 V HA 0.632 4.752 4.120 0.001 0.000 0.291 110 V C 0.290 176.307 176.094 -0.129 0.000 1.020 110 V CA -0.210 62.061 62.300 -0.048 0.000 0.848 110 V CB 1.103 32.905 31.823 -0.036 0.000 0.990 110 V HN 1.174 nan 8.190 nan 0.000 0.430 111 A N 5.281 127.976 122.820 -0.210 0.000 2.331 111 A HA 0.837 5.157 4.320 0.001 0.000 0.320 111 A C -0.893 176.446 177.584 -0.409 0.000 1.138 111 A CA -0.526 51.219 52.037 -0.487 0.000 0.790 111 A CB 1.173 19.622 19.000 -0.918 0.000 1.206 111 A HN 0.925 nan 8.150 nan 0.000 0.470 112 L N 2.805 123.773 121.223 -0.424 0.000 2.265 112 L HA 0.421 4.761 4.340 0.001 0.000 0.289 112 L C -0.932 175.758 176.870 -0.301 0.000 1.033 112 L CA -0.484 54.162 54.840 -0.323 0.000 0.814 112 L CB 0.863 42.668 42.059 -0.423 0.000 1.203 112 L HN 0.699 nan 8.230 nan 0.000 0.423 113 D N 3.812 124.153 120.400 -0.099 0.000 2.303 113 D HA 0.206 4.846 4.640 0.001 0.000 0.236 113 D C -0.302 176.048 176.300 0.083 0.000 1.068 113 D CA -0.161 53.880 54.000 0.069 0.000 0.830 113 D CB 1.635 42.567 40.800 0.220 0.000 1.109 113 D HN 0.599 nan 8.370 nan 0.000 0.496 114 T N 0.809 115.394 114.554 0.052 0.000 2.904 114 T HA 0.169 4.520 4.350 0.001 0.000 0.290 114 T C 1.305 176.052 174.700 0.079 0.000 1.018 114 T CA -0.568 61.555 62.100 0.037 0.000 1.075 114 T CB 2.131 71.005 68.868 0.009 0.000 0.986 114 T HN 0.410 nan 8.240 nan 0.000 0.523 115 K N 1.738 122.185 120.400 0.078 0.000 2.002 115 K HA 0.157 4.477 4.320 0.001 0.000 0.209 115 K C 1.165 177.770 176.600 0.009 0.000 1.048 115 K CA 1.302 57.608 56.287 0.032 0.000 0.930 115 K CB -1.042 31.471 32.500 0.020 0.000 0.714 115 K HN 1.187 nan 8.250 nan 0.000 0.438 116 G N 0.304 109.116 108.800 0.019 0.000 2.796 116 G HA2 -0.178 3.782 3.960 0.001 0.000 0.571 116 G HA3 -0.178 3.782 3.960 0.001 0.000 0.571 116 G C -2.714 172.163 174.900 -0.038 0.000 1.370 116 G CA -0.571 44.541 45.100 0.019 0.000 0.856 116 G HN 0.201 nan 8.290 nan 0.000 0.538 117 P HA 0.351 nan 4.420 nan 0.000 0.268 117 P C -0.228 176.879 177.300 -0.321 0.000 1.204 117 P CA 0.410 63.425 63.100 -0.142 0.000 0.768 117 P CB 0.720 32.376 31.700 -0.075 0.000 0.842 118 E N 1.915 121.960 120.200 -0.259 0.000 2.367 118 E HA 0.521 4.872 4.350 0.001 0.000 0.273 118 E C -0.636 175.818 176.600 -0.242 0.000 0.903 118 E CA -0.810 55.425 56.400 -0.275 0.000 0.764 118 E CB 2.106 31.707 29.700 -0.165 0.000 1.252 118 E HN 0.305 nan 8.360 nan 0.000 0.446 119 I N 1.978 122.407 120.570 -0.235 0.000 2.378 119 I HA 0.421 4.592 4.170 0.001 0.000 0.291 119 I C -0.182 175.872 176.117 -0.105 0.000 0.992 119 I CA -0.802 60.400 61.300 -0.164 0.000 1.154 119 I CB 0.997 38.902 38.000 -0.159 0.000 1.315 119 I HN 0.133 nan 8.210 nan 0.000 0.448 120 R N 3.196 123.645 120.500 -0.085 0.000 2.750 120 R HA 0.533 4.874 4.340 0.001 0.000 0.281 120 R C -0.181 176.084 176.300 -0.058 0.000 0.972 120 R CA -0.672 55.404 56.100 -0.039 0.000 0.912 120 R CB 2.313 32.620 30.300 0.012 0.000 1.187 120 R HN 0.765 nan 8.270 nan 0.000 0.464 134 L N 0.546 121.777 121.223 0.014 0.000 2.491 134 L HA 0.955 5.296 4.340 0.001 0.000 0.267 134 L C 0.131 177.005 176.870 0.007 0.000 0.971 134 L CA -0.312 54.534 54.840 0.010 0.000 0.857 134 L CB 0.512 42.577 42.059 0.010 0.000 1.226 134 L HN 0.758 nan 8.230 nan 0.000 0.408 135 K N 1.854 122.256 120.400 0.005 0.000 2.154 135 K HA 0.868 5.188 4.320 0.001 0.000 0.264 135 K C 0.553 177.153 176.600 -0.001 0.000 1.008 135 K CA 0.070 56.359 56.287 0.003 0.000 0.937 135 K CB 0.442 32.944 32.500 0.004 0.000 1.002 135 K HN 2.172 nan 8.250 nan 0.000 0.469 136 K N 0.028 120.427 120.400 -0.002 0.000 2.382 136 K HA 0.503 4.824 4.320 0.001 0.000 0.275 136 K C 1.599 178.195 176.600 -0.007 0.000 1.009 136 K CA 0.516 56.799 56.287 -0.006 0.000 0.970 136 K CB -0.254 32.243 32.500 -0.005 0.000 0.934 136 K HN 2.292 nan 8.250 nan 0.000 0.479 137 G N -0.473 108.320 108.800 -0.012 0.000 2.268 137 G HA2 0.053 4.014 3.960 0.001 0.000 0.240 137 G HA3 0.053 4.014 3.960 0.001 0.000 0.240 137 G C 0.819 175.714 174.900 -0.009 0.000 1.010 137 G CA 0.611 45.705 45.100 -0.010 0.000 0.618 137 G HN 2.080 nan 8.290 nan 0.000 0.516 138 A N 0.282 123.097 122.820 -0.008 0.000 2.406 138 A HA 0.741 5.062 4.320 0.001 0.000 0.243 138 A C 0.801 178.380 177.584 -0.009 0.000 1.082 138 A CA 1.804 53.837 52.037 -0.005 0.000 0.786 138 A CB 0.016 19.015 19.000 -0.002 0.000 1.029 138 A HN 2.036 nan 8.150 nan 0.000 0.495 139 T N 0.325 114.876 114.554 -0.005 0.000 2.795 139 T HA 0.556 4.907 4.350 0.001 0.000 0.282 139 T C -0.618 174.079 174.700 -0.005 0.000 0.980 139 T CA -0.371 61.725 62.100 -0.006 0.000 1.012 139 T CB 0.291 69.159 68.868 -0.001 0.000 0.936 139 T HN 0.869 nan 8.240 nan 0.000 0.457 140 L N 2.377 123.594 121.223 -0.009 0.000 2.385 140 L HA 0.775 5.116 4.340 0.001 0.000 0.273 140 L C 0.039 176.904 176.870 -0.008 0.000 0.990 140 L CA -0.742 54.093 54.840 -0.008 0.000 0.821 140 L CB 1.555 43.607 42.059 -0.011 0.000 1.279 140 L HN 0.741 nan 8.230 nan 0.000 0.412 141 K N 4.720 125.116 120.400 -0.006 0.000 2.211 141 K HA 0.830 5.151 4.320 0.001 0.000 0.275 141 K C -0.283 176.310 176.600 -0.011 0.000 1.024 141 K CA 0.223 56.512 56.287 0.003 0.000 0.887 141 K CB 0.563 33.065 32.500 0.003 0.000 1.084 141 K HN 1.050 nan 8.250 nan 0.000 0.463 142 I N 1.529 122.093 120.570 -0.009 0.000 2.325 142 I HA 0.801 4.971 4.170 0.001 0.000 0.291 142 I C 0.767 176.887 176.117 0.004 0.000 1.019 142 I CA -0.001 61.286 61.300 -0.021 0.000 1.302 142 I CB 0.186 38.156 38.000 -0.051 0.000 1.401 142 I HN 1.053 nan 8.210 nan 0.000 0.485 143 T N 3.292 117.853 114.554 0.011 0.000 2.797 143 T HA 0.744 5.095 4.350 0.001 0.000 0.279 143 T C 0.850 175.617 174.700 0.111 0.000 0.991 143 T CA 0.166 62.306 62.100 0.067 0.000 0.979 143 T CB 1.062 69.922 68.868 -0.014 0.000 0.943 143 T HN 2.158 nan 8.240 nan 0.000 0.444 144 L N 1.028 122.320 121.223 0.115 0.000 2.567 144 L HA 0.590 4.931 4.340 0.001 0.000 0.225 144 L C 1.284 178.374 176.870 0.367 0.000 1.119 144 L CA 0.865 55.769 54.840 0.106 0.000 0.871 144 L CB -1.652 40.425 42.059 0.029 0.000 1.036 144 L HN 1.001 nan 8.230 nan 0.000 0.459 145 D N -0.029 120.601 120.400 0.383 0.000 2.389 145 D HA 0.355 4.995 4.640 0.001 0.000 0.263 145 D C 1.242 177.795 176.300 0.423 0.000 1.255 145 D CA 0.407 54.632 54.000 0.376 0.000 0.914 145 D CB -0.958 40.066 40.800 0.373 0.000 1.116 145 D HN 0.864 nan 8.370 nan 0.000 0.502 146 N N 0.436 119.295 118.700 0.265 0.000 2.430 146 N HA 0.075 4.816 4.740 0.001 0.000 0.186 146 N C 2.323 177.710 175.510 -0.206 0.000 1.032 146 N CA 1.901 54.958 53.050 0.012 0.000 0.893 146 N CB -0.293 38.217 38.487 0.038 0.000 0.957 146 N HN 1.015 nan 8.380 nan 0.000 0.442 147 A N -0.667 122.082 122.820 -0.117 0.000 2.024 147 A HA -0.003 4.317 4.320 0.001 0.000 0.220 147 A C 1.346 178.645 177.584 -0.475 0.000 1.164 147 A CA 1.203 53.052 52.037 -0.314 0.000 0.643 147 A CB -0.508 18.255 19.000 -0.396 0.000 0.806 147 A HN 0.741 nan 8.150 nan 0.000 0.451 148 Y N -1.732 118.463 120.300 -0.175 0.000 2.571 148 Y HA 0.275 4.826 4.550 0.001 0.000 0.275 148 Y C 2.476 178.173 175.900 -0.338 0.000 1.179 148 Y CA 0.302 58.319 58.100 -0.139 0.000 1.242 148 Y CB -0.807 37.680 38.460 0.045 0.000 1.126 148 Y HN 0.295 nan 8.280 nan 0.000 0.524 149 M N 0.422 119.624 119.600 -0.663 0.000 2.106 149 M HA -0.138 4.343 4.480 0.001 0.000 0.259 149 M C 1.652 177.692 176.300 -0.433 0.000 1.068 149 M CA 2.735 57.356 55.300 -1.130 0.000 1.100 149 M CB -1.476 30.460 32.600 -1.105 0.000 1.351 149 M HN 0.449 nan 8.290 nan 0.000 0.404 150 E N 0.301 120.353 120.200 -0.247 0.000 2.558 150 E HA 0.534 4.885 4.350 0.001 0.000 0.205 150 E C 0.849 177.429 176.600 -0.033 0.000 1.006 150 E CA 0.680 57.018 56.400 -0.104 0.000 0.961 150 E CB -0.774 28.863 29.700 -0.105 0.000 1.044 150 E HN 1.081 nan 8.360 nan 0.000 0.465 151 K N -0.030 120.373 120.400 0.005 0.000 3.239 151 K HA 0.515 4.835 4.320 0.001 0.000 0.204 151 K C -0.140 176.550 176.600 0.150 0.000 1.126 151 K CA -0.123 56.203 56.287 0.065 0.000 0.948 151 K CB -1.257 31.268 32.500 0.042 0.000 0.818 151 K HN 0.398 nan 8.250 nan 0.000 0.480 152 C N 1.954 121.338 119.300 0.140 0.000 2.536 152 C HA 0.768 5.229 4.460 0.001 0.000 0.396 152 C C 0.401 175.452 174.990 0.102 0.000 1.279 152 C CA -0.042 59.066 59.018 0.151 0.000 2.148 152 C CB 0.096 27.936 27.740 0.168 0.000 2.584 152 C HN 0.947 nan 8.230 nan 0.000 0.579 153 D N -0.456 119.994 120.400 0.084 0.000 2.838 153 D HA 0.420 5.060 4.640 0.001 0.000 0.334 153 D C 0.633 176.959 176.300 0.043 0.000 1.315 153 D CA -0.033 54.003 54.000 0.059 0.000 0.917 153 D CB 0.264 41.098 40.800 0.058 0.000 1.435 153 D HN 0.322 nan 8.370 nan 0.000 0.517 154 E N -0.509 119.711 120.200 0.033 0.000 2.331 154 E HA -0.174 4.177 4.350 0.001 0.000 0.199 154 E C 1.075 177.685 176.600 0.016 0.000 1.008 154 E CA 1.850 58.264 56.400 0.023 0.000 0.843 154 E CB -0.897 28.814 29.700 0.020 0.000 0.761 154 E HN 0.430 nan 8.360 nan 0.000 0.507 155 N N -1.563 117.147 118.700 0.016 0.000 2.545 155 N HA 0.234 4.975 4.740 0.001 0.000 0.190 155 N C 0.466 175.968 175.510 -0.013 0.000 1.043 155 N CA 1.132 54.184 53.050 0.004 0.000 0.879 155 N CB 0.917 39.408 38.487 0.007 0.000 1.210 155 N HN 0.595 nan 8.380 nan 0.000 0.437 156 I N 0.998 121.559 120.570 -0.015 0.000 2.466 156 I HA 0.630 4.800 4.170 0.001 0.000 0.289 156 I C -1.233 174.891 176.117 0.012 0.000 1.026 156 I CA -0.977 60.288 61.300 -0.058 0.000 1.078 156 I CB 1.530 39.411 38.000 -0.199 0.000 1.249 156 I HN -0.022 nan 8.210 nan 0.000 0.429 157 L N 6.038 127.276 121.223 0.024 0.000 2.343 157 L HA 0.778 5.119 4.340 0.001 0.000 0.278 157 L C -0.805 176.143 176.870 0.129 0.000 0.996 157 L CA -0.860 54.030 54.840 0.084 0.000 0.831 157 L CB 1.398 43.484 42.059 0.044 0.000 1.232 157 L HN 0.852 nan 8.230 nan 0.000 0.413 158 W N 6.851 128.170 121.300 0.031 0.000 2.316 158 W HA 0.646 5.307 4.660 0.001 0.000 0.321 158 W C -1.501 175.049 176.519 0.052 0.000 1.203 158 W CA -0.425 56.953 57.345 0.055 0.000 1.214 158 W CB 0.761 30.285 29.460 0.107 0.000 1.169 158 W HN 0.459 nan 8.180 nan 0.000 0.561 159 L N 5.478 126.148 121.223 -0.922 0.000 2.354 159 L HA 0.264 4.605 4.340 0.001 0.000 0.264 159 L C 0.517 176.563 176.870 -1.373 0.000 1.008 159 L CA -0.860 53.438 54.840 -0.903 0.000 0.819 159 L CB 2.190 44.019 42.059 -0.383 0.000 1.339 159 L HN 0.566 nan 8.230 nan 0.000 0.420 160 D N -0.977 118.873 120.400 -0.916 0.000 2.339 160 D HA -0.091 4.549 4.640 0.001 0.000 0.217 160 D C 0.209 176.427 176.300 -0.137 0.000 1.050 160 D CA 0.210 53.886 54.000 -0.539 0.000 0.856 160 D CB -0.043 40.628 40.800 -0.215 0.000 0.922 160 D HN 0.403 nan 8.370 nan 0.000 0.518 161 Y N 0.696 120.839 120.300 -0.262 0.000 2.535 161 Y HA 0.369 4.919 4.550 0.001 0.000 0.349 161 Y C 1.664 177.497 175.900 -0.111 0.000 0.992 161 Y CA -0.534 57.482 58.100 -0.140 0.000 1.248 161 Y CB 0.668 39.058 38.460 -0.117 0.000 1.124 161 Y HN -0.023 nan 8.280 nan 0.000 0.520 162 K N 2.550 122.873 120.400 -0.128 0.000 2.148 162 K HA -0.197 4.124 4.320 0.001 0.000 0.204 162 K C 1.193 177.590 176.600 -0.337 0.000 1.050 162 K CA 1.611 57.793 56.287 -0.176 0.000 0.942 162 K CB -1.440 31.037 32.500 -0.038 0.000 0.724 162 K HN 0.846 nan 8.250 nan 0.000 0.446 163 N N 0.451 118.781 118.700 -0.616 0.000 2.313 163 N HA 0.269 5.009 4.740 0.001 0.000 0.207 163 N C 1.535 176.593 175.510 -0.753 0.000 1.141 163 N CA 0.464 53.185 53.050 -0.548 0.000 0.830 163 N CB -0.484 37.828 38.487 -0.290 0.000 1.008 163 N HN 0.536 nan 8.380 nan 0.000 0.481 164 I N -0.589 119.407 120.570 -0.957 0.000 2.264 164 I HA -0.303 3.867 4.170 0.001 0.000 0.248 164 I C 1.941 177.912 176.117 -0.244 0.000 1.111 164 I CA 1.602 62.563 61.300 -0.564 0.000 1.382 164 I CB -0.099 37.730 38.000 -0.285 0.000 1.060 164 I HN 0.475 nan 8.210 nan 0.000 0.418 165 C N 1.316 120.480 119.300 -0.226 0.000 2.435 165 C HA -0.112 4.348 4.460 0.001 0.000 0.279 165 C C 3.114 178.032 174.990 -0.121 0.000 1.321 165 C CA 1.357 60.278 59.018 -0.162 0.000 1.752 165 C CB -1.612 26.036 27.740 -0.154 0.000 1.959 165 C HN 0.632 nan 8.230 nan 0.000 0.500 166 K N 0.468 120.796 120.400 -0.120 0.000 2.217 166 K HA 0.018 4.339 4.320 0.001 0.000 0.202 166 K C 1.787 178.367 176.600 -0.035 0.000 1.051 166 K CA 1.768 58.013 56.287 -0.069 0.000 0.952 166 K CB -0.877 31.585 32.500 -0.063 0.000 0.736 166 K HN 0.646 nan 8.250 nan 0.000 0.453 167 V N -4.381 115.519 119.914 -0.023 0.000 3.565 167 V HA 0.579 4.699 4.120 0.001 0.000 0.260 167 V C 1.274 177.384 176.094 0.026 0.000 1.231 167 V CA 0.261 62.584 62.300 0.039 0.000 1.100 167 V CB -0.485 31.423 31.823 0.141 0.000 0.807 167 V HN 0.356 nan 8.190 nan 0.000 0.454 168 V N 0.177 120.086 119.914 -0.009 0.000 2.966 168 V HA 0.986 5.107 4.120 0.001 0.000 0.317 168 V C -0.027 176.040 176.094 -0.046 0.000 1.070 168 V CA -0.250 62.037 62.300 -0.022 0.000 1.008 168 V CB 1.312 33.113 31.823 -0.038 0.000 1.070 168 V HN 0.688 nan 8.190 nan 0.000 0.457 169 E N 0.737 120.908 120.200 -0.048 0.000 2.408 169 E HA 0.835 5.186 4.350 0.001 0.000 0.275 169 E C -0.344 176.218 176.600 -0.062 0.000 0.935 169 E CA -0.406 55.961 56.400 -0.055 0.000 0.775 169 E CB 0.993 30.669 29.700 -0.040 0.000 1.277 169 E HN 2.549 nan 8.360 nan 0.000 0.455 170 V N 0.138 120.013 119.914 -0.066 0.000 2.644 170 V HA 0.416 4.536 4.120 0.001 0.000 0.305 170 V C 1.772 177.836 176.094 -0.051 0.000 1.053 170 V CA 2.019 64.282 62.300 -0.063 0.000 1.186 170 V CB -0.324 31.466 31.823 -0.054 0.000 0.895 170 V HN 2.375 nan 8.190 nan 0.000 0.490 171 G N 3.158 111.927 108.800 -0.052 0.000 2.195 171 G HA2 -0.151 3.810 3.960 0.001 0.000 0.246 171 G HA3 -0.151 3.810 3.960 0.001 0.000 0.246 171 G C 0.559 175.429 174.900 -0.049 0.000 0.984 171 G CA 0.373 45.445 45.100 -0.047 0.000 0.633 171 G HN 1.534 nan 8.290 nan 0.000 0.525 172 S N 1.202 116.871 115.700 -0.051 0.000 2.564 172 S HA 0.579 5.050 4.470 0.001 0.000 0.278 172 S C 0.635 175.198 174.600 -0.062 0.000 1.333 172 S CA 0.616 58.788 58.200 -0.046 0.000 1.048 172 S CB 1.251 64.428 63.200 -0.038 0.000 0.900 172 S HN 1.185 nan 8.310 nan 0.000 0.505 173 K N 2.285 122.648 120.400 -0.061 0.000 2.143 173 K HA 0.656 4.976 4.320 0.001 0.000 0.272 173 K C -0.534 176.004 176.600 -0.105 0.000 1.001 173 K CA -0.414 55.800 56.287 -0.121 0.000 0.915 173 K CB 0.249 32.663 32.500 -0.143 0.000 1.047 173 K HN 0.695 nan 8.250 nan 0.000 0.458 174 I N 2.436 122.901 120.570 -0.174 0.000 2.447 174 I HA 0.343 4.513 4.170 0.001 0.000 0.287 174 I C -1.072 174.937 176.117 -0.181 0.000 1.023 174 I CA -1.036 60.206 61.300 -0.096 0.000 1.083 174 I CB 1.549 39.513 38.000 -0.059 0.000 1.245 174 I HN 0.681 nan 8.210 nan 0.000 0.434 175 Y N 5.003 125.303 120.300 0.000 0.000 2.352 175 Y HA 0.599 5.149 4.550 0.001 0.000 0.326 175 Y C 0.058 175.956 175.900 -0.004 0.000 1.166 175 Y CA -0.555 57.546 58.100 0.001 0.000 1.182 175 Y CB 1.865 40.328 38.460 0.005 0.000 1.216 175 Y HN 0.167 nan 8.280 nan 0.000 0.474 176 V N 2.102 122.111 119.914 0.160 0.000 2.709 176 V HA 0.275 4.395 4.120 0.001 0.000 0.308 176 V C -0.903 175.245 176.094 0.090 0.000 1.062 176 V CA -1.207 61.147 62.300 0.089 0.000 0.901 176 V CB 1.707 33.558 31.823 0.046 0.000 1.003 176 V HN 0.841 nan 8.190 nan 0.000 0.425 177 D N 3.707 124.144 120.400 0.062 0.000 3.437 177 D HA -0.116 4.524 4.640 0.001 0.000 0.243 177 D C 0.512 176.842 176.300 0.050 0.000 1.104 177 D CA 2.338 56.368 54.000 0.050 0.000 1.009 177 D CB -1.001 39.828 40.800 0.048 0.000 0.937 177 D HN 1.538 nan 8.370 nan 0.000 0.417 178 D N 0.036 120.457 120.400 0.034 0.000 2.701 178 D HA 0.136 4.776 4.640 0.001 0.000 0.235 178 D C 1.865 178.169 176.300 0.006 0.000 1.155 178 D CA 1.783 55.791 54.000 0.013 0.000 0.649 178 D CB -1.991 38.818 40.800 0.015 0.000 1.050 178 D HN 2.086 nan 8.370 nan 0.000 0.425 179 G N -3.863 104.960 108.800 0.038 0.000 2.184 179 G HA2 0.034 3.995 3.960 0.001 0.000 0.264 179 G HA3 0.034 3.995 3.960 0.001 0.000 0.264 179 G C 2.102 177.108 174.900 0.176 0.000 0.975 179 G CA 2.026 47.159 45.100 0.055 0.000 0.642 179 G HN 2.232 nan 8.290 nan 0.000 0.536 180 L N -0.730 120.566 121.223 0.121 0.000 2.093 180 L HA 0.616 4.957 4.340 0.001 0.000 0.208 180 L C 1.624 178.562 176.870 0.114 0.000 1.085 180 L CA 2.164 57.063 54.840 0.099 0.000 0.755 180 L CB -0.495 41.602 42.059 0.063 0.000 0.904 180 L HN 0.500 nan 8.230 nan 0.000 0.435 181 I N -0.416 120.227 120.570 0.122 0.000 2.441 181 I HA 0.526 4.696 4.170 0.001 0.000 0.295 181 I C -0.049 176.085 176.117 0.030 0.000 0.994 181 I CA -0.571 60.769 61.300 0.066 0.000 1.144 181 I CB 1.825 39.848 38.000 0.039 0.000 1.314 181 I HN 0.146 nan 8.210 nan 0.000 0.445 182 S N 6.865 122.520 115.700 -0.076 0.000 2.561 182 S HA 0.761 5.231 4.470 0.001 0.000 0.303 182 S C -0.929 173.547 174.600 -0.206 0.000 1.110 182 S CA -0.567 57.459 58.200 -0.289 0.000 1.034 182 S CB 0.706 63.697 63.200 -0.348 0.000 1.010 182 S HN 0.458 nan 8.310 nan 0.000 0.482 183 L N 3.525 124.611 121.223 -0.229 0.000 2.333 183 L HA 0.658 4.998 4.340 0.001 0.000 0.269 183 L C -0.243 176.533 176.870 -0.156 0.000 1.010 183 L CA -0.833 53.920 54.840 -0.146 0.000 0.818 183 L CB 1.999 43.998 42.059 -0.102 0.000 1.306 183 L HN 0.601 nan 8.230 nan 0.000 0.430 184 Q N 0.960 120.694 119.800 -0.109 0.000 2.330 184 Q HA 0.460 4.801 4.340 0.001 0.000 0.269 184 Q C -1.389 174.565 176.000 -0.077 0.000 1.022 184 Q CA -0.709 55.037 55.803 -0.095 0.000 0.796 184 Q CB 2.552 31.242 28.738 -0.081 0.000 1.271 184 Q HN 0.469 nan 8.270 nan 0.000 0.450 185 V N 5.003 124.870 119.914 -0.078 0.000 2.585 185 V HA 0.024 4.144 4.120 0.001 0.000 0.296 185 V C 0.636 176.688 176.094 -0.070 0.000 1.035 185 V CA 0.329 62.581 62.300 -0.080 0.000 1.084 185 V CB 0.932 32.702 31.823 -0.090 0.000 0.953 185 V HN 0.817 nan 8.190 nan 0.000 0.483 186 K N 2.820 123.180 120.400 -0.067 0.000 2.367 186 K HA 0.264 4.585 4.320 0.001 0.000 0.198 186 K C 0.745 177.312 176.600 -0.056 0.000 1.132 186 K CA 0.744 57.001 56.287 -0.051 0.000 0.941 186 K CB 0.376 32.856 32.500 -0.034 0.000 1.052 186 K HN 0.751 nan 8.250 nan 0.000 0.507 187 Q N 1.458 121.211 119.800 -0.079 0.000 2.337 187 Q HA 0.618 4.958 4.340 0.001 0.000 0.270 187 Q C -0.322 175.527 176.000 -0.252 0.000 1.043 187 Q CA -0.596 55.144 55.803 -0.105 0.000 0.794 187 Q CB 1.182 29.906 28.738 -0.022 0.000 1.281 187 Q HN 0.249 nan 8.270 nan 0.000 0.446 192 F N -2.700 117.230 119.950 -0.034 0.000 2.719 192 F HA 0.817 5.345 4.527 0.001 0.000 0.309 192 F C -1.318 174.454 175.800 -0.046 0.000 1.138 192 F CA -1.937 56.038 58.000 -0.041 0.000 0.943 192 F CB 1.080 40.059 39.000 -0.034 0.000 1.304 192 F HN 0.816 nan 8.300 nan 0.000 0.445 193 L N 1.608 122.687 121.223 -0.241 0.000 2.505 193 L HA 0.964 5.304 4.340 0.001 0.000 0.266 193 L C -0.991 175.800 176.870 -0.131 0.000 0.954 193 L CA -0.699 53.939 54.840 -0.338 0.000 0.852 193 L CB 0.771 42.693 42.059 -0.229 0.000 1.282 193 L HN 1.826 nan 8.230 nan 0.000 0.403 194 V N 2.057 121.901 119.914 -0.117 0.000 2.408 194 V HA 0.800 4.920 4.120 0.001 0.000 0.267 194 V C 0.625 176.690 176.094 -0.048 0.000 1.047 194 V CA 0.247 62.536 62.300 -0.019 0.000 0.937 194 V CB 1.048 32.890 31.823 0.032 0.000 0.999 194 V HN 1.525 nan 8.190 nan 0.000 0.472 195 T N 1.820 116.351 114.554 -0.037 0.000 2.908 195 T HA 0.849 5.200 4.350 0.001 0.000 0.290 195 T C -0.330 174.349 174.700 -0.036 0.000 1.034 195 T CA 0.238 62.310 62.100 -0.047 0.000 1.010 195 T CB 1.632 70.466 68.868 -0.056 0.000 1.068 195 T HN 1.628 nan 8.240 nan 0.000 0.481 196 E N 1.430 121.605 120.200 -0.042 0.000 2.166 196 E HA 0.593 4.943 4.350 0.001 0.000 0.275 196 E C -0.189 176.384 176.600 -0.045 0.000 0.941 196 E CA -1.052 55.327 56.400 -0.035 0.000 0.784 196 E CB 1.371 31.052 29.700 -0.032 0.000 1.115 196 E HN 0.836 nan 8.360 nan 0.000 0.399 197 V N 2.849 122.741 119.914 -0.036 0.000 2.421 197 V HA 0.414 4.535 4.120 0.001 0.000 0.271 197 V C 1.682 177.751 176.094 -0.042 0.000 1.031 197 V CA 1.116 63.393 62.300 -0.040 0.000 1.032 197 V CB -0.113 31.695 31.823 -0.024 0.000 1.009 197 V HN 1.050 nan 8.190 nan 0.000 0.477 198 E N 3.688 123.851 120.200 -0.062 0.000 2.075 198 E HA 0.057 4.407 4.350 0.001 0.000 0.190 198 E C 1.101 177.678 176.600 -0.038 0.000 0.969 198 E CA 1.114 57.480 56.400 -0.056 0.000 0.815 198 E CB -0.302 29.347 29.700 -0.084 0.000 0.776 198 E HN 0.900 nan 8.360 nan 0.000 0.457 199 N N 0.081 118.755 118.700 -0.043 0.000 2.442 199 N HA 0.569 5.310 4.740 0.001 0.000 0.274 199 N C 0.077 175.585 175.510 -0.004 0.000 1.002 199 N CA -0.171 52.873 53.050 -0.010 0.000 0.910 199 N CB 1.683 40.178 38.487 0.015 0.000 1.244 199 N HN 0.615 nan 8.380 nan 0.000 0.492 200 G N -0.699 108.104 108.800 0.004 0.000 2.461 200 G HA2 0.939 4.899 3.960 0.001 0.000 0.329 200 G HA3 0.939 4.899 3.960 0.001 0.000 0.329 200 G C 0.378 175.288 174.900 0.016 0.000 1.170 200 G CA -0.181 44.923 45.100 0.007 0.000 0.935 200 G HN 1.389 nan 8.290 nan 0.000 0.492 201 G N -1.303 107.507 108.800 0.017 0.000 2.320 201 G HA2 0.418 4.378 3.960 0.001 0.000 0.296 201 G HA3 0.418 4.378 3.960 0.001 0.000 0.296 201 G C -0.779 174.134 174.900 0.021 0.000 1.306 201 G CA -0.517 44.596 45.100 0.021 0.000 0.836 201 G HN 0.879 nan 8.290 nan 0.000 0.517 202 S N 0.075 115.788 115.700 0.023 0.000 2.429 202 S HA 0.527 4.998 4.470 0.001 0.000 0.292 202 S C 0.938 175.554 174.600 0.027 0.000 1.183 202 S CA 0.275 58.489 58.200 0.023 0.000 1.088 202 S CB 0.014 63.227 63.200 0.021 0.000 1.018 202 S HN 1.459 nan 8.310 nan 0.000 0.511 203 L N 2.693 123.933 121.223 0.028 0.000 2.453 203 L HA 0.925 5.265 4.340 0.001 0.000 0.261 203 L C 0.883 177.775 176.870 0.036 0.000 1.179 203 L CA -0.154 54.706 54.840 0.033 0.000 0.813 203 L CB -0.258 41.821 42.059 0.034 0.000 1.110 203 L HN 0.848 nan 8.230 nan 0.000 0.466 204 G N -0.878 107.947 108.800 0.042 0.000 2.975 204 G HA2 0.815 4.775 3.960 0.001 0.000 0.291 204 G HA3 0.815 4.775 3.960 0.001 0.000 0.291 204 G C -0.064 174.869 174.900 0.055 0.000 1.334 204 G CA 0.144 45.270 45.100 0.043 0.000 0.843 204 G HN 1.709 nan 8.290 nan 0.000 0.548 205 S N -1.480 114.252 115.700 0.054 0.000 2.554 205 S HA 0.664 5.134 4.470 0.001 0.000 0.278 205 S C 0.827 175.469 174.600 0.071 0.000 1.242 205 S CA 0.877 59.118 58.200 0.068 0.000 1.051 205 S CB 0.218 63.453 63.200 0.058 0.000 0.986 205 S HN 2.247 nan 8.310 nan 0.000 0.502 206 K N -0.972 119.484 120.400 0.093 0.000 3.278 206 K HA 0.138 4.459 4.320 0.001 0.000 0.270 206 K C 0.194 176.831 176.600 0.062 0.000 0.955 206 K CA 2.091 58.430 56.287 0.087 0.000 0.723 206 K CB -2.902 29.647 32.500 0.081 0.000 1.382 206 K HN 2.043 nan 8.250 nan 0.000 0.461 207 K N 0.117 120.551 120.400 0.056 0.000 2.118 207 K HA 0.785 5.106 4.320 0.001 0.000 0.267 207 K C 0.886 177.501 176.600 0.025 0.000 0.991 207 K CA -0.106 56.205 56.287 0.041 0.000 0.916 207 K CB 1.266 33.792 32.500 0.043 0.000 1.041 207 K HN 1.642 nan 8.250 nan 0.000 0.455 208 G N 0.385 109.195 108.800 0.016 0.000 2.403 208 G HA2 0.484 4.445 3.960 0.001 0.000 0.259 208 G HA3 0.484 4.445 3.960 0.001 0.000 0.259 208 G C -0.609 174.289 174.900 -0.003 0.000 1.244 208 G CA -0.217 44.877 45.100 -0.010 0.000 0.849 208 G HN 0.611 nan 8.290 nan 0.000 0.532 209 V N 2.721 122.619 119.914 -0.027 0.000 2.459 209 V HA 0.383 4.504 4.120 0.001 0.000 0.295 209 V C -0.431 175.657 176.094 -0.010 0.000 1.029 209 V CA -0.951 61.348 62.300 -0.002 0.000 0.874 209 V CB 1.824 33.639 31.823 -0.014 0.000 0.985 209 V HN 0.792 nan 8.190 nan 0.000 0.438 210 N N 3.794 122.533 118.700 0.064 0.000 2.269 210 N HA 0.706 5.447 4.740 0.001 0.000 0.304 210 N C -1.193 174.407 175.510 0.151 0.000 1.072 210 N CA -0.619 52.482 53.050 0.086 0.000 0.802 210 N CB 2.172 40.709 38.487 0.085 0.000 1.348 210 N HN 0.542 nan 8.380 nan 0.000 0.484 211 L N 2.004 123.310 121.223 0.137 0.000 2.445 211 L HA 0.474 4.814 4.340 0.001 0.000 0.252 211 L C -2.386 174.567 176.870 0.138 0.000 1.105 211 L CA -1.824 53.097 54.840 0.135 0.000 0.943 211 L CB 0.790 42.921 42.059 0.121 0.000 1.277 211 L HN 0.245 nan 8.230 nan 0.000 0.465 212 P HA 0.044 nan 4.420 nan 0.000 0.261 212 P C 1.102 178.432 177.300 0.049 0.000 1.183 212 P CA 0.873 64.047 63.100 0.124 0.000 0.761 212 P CB 0.940 32.748 31.700 0.181 0.000 0.785 213 G N 2.053 110.861 108.800 0.014 0.000 2.234 213 G HA2 -0.236 3.725 3.960 0.001 0.000 0.260 213 G HA3 -0.236 3.725 3.960 0.001 0.000 0.260 213 G C 0.445 175.344 174.900 -0.003 0.000 0.987 213 G CA 0.088 45.138 45.100 -0.083 0.000 0.625 213 G HN 0.876 nan 8.290 nan 0.000 0.532 214 A N 0.326 123.173 122.820 0.046 0.000 2.388 214 A HA 0.784 5.104 4.320 0.001 0.000 0.257 214 A C 0.858 178.487 177.584 0.075 0.000 1.095 214 A CA 0.941 53.016 52.037 0.064 0.000 0.791 214 A CB 0.747 19.803 19.000 0.093 0.000 1.029 214 A HN 1.997 nan 8.150 nan 0.000 0.489 215 A N 3.173 126.033 122.820 0.066 0.000 2.805 215 A HA 0.481 4.801 4.320 0.001 0.000 0.301 215 A C 0.164 177.804 177.584 0.093 0.000 1.557 215 A CA -0.285 51.786 52.037 0.058 0.000 1.254 215 A CB -0.886 18.140 19.000 0.044 0.000 1.114 215 A HN 0.835 nan 8.150 nan 0.000 0.553 216 V N 3.107 123.083 119.914 0.104 0.000 2.521 216 V HA 0.048 4.168 4.120 0.001 0.000 0.286 216 V C 0.932 177.099 176.094 0.122 0.000 1.034 216 V CA 0.689 63.072 62.300 0.140 0.000 1.045 216 V CB 0.937 32.857 31.823 0.162 0.000 0.974 216 V HN 0.952 nan 8.190 nan 0.000 0.480 217 D N 3.706 124.217 120.400 0.185 0.000 2.402 217 D HA 0.099 4.739 4.640 0.001 0.000 0.216 217 D C 0.431 176.818 176.300 0.146 0.000 1.128 217 D CA -0.352 53.740 54.000 0.153 0.000 0.833 217 D CB -0.070 40.824 40.800 0.157 0.000 0.971 217 D HN 0.419 nan 8.370 nan 0.000 0.503 218 L N 0.612 121.889 121.223 0.089 0.000 2.536 218 L HA 0.099 4.440 4.340 0.001 0.000 0.294 218 L C -1.633 175.282 176.870 0.076 0.000 1.257 218 L CA -1.062 53.808 54.840 0.050 0.000 0.850 218 L CB -0.253 41.758 42.059 -0.081 0.000 1.105 218 L HN -0.086 nan 8.230 nan 0.000 0.517 219 P HA -0.035 nan 4.420 nan 0.000 0.268 219 P C 0.021 177.361 177.300 0.066 0.000 1.208 219 P CA 0.033 63.169 63.100 0.061 0.000 0.777 219 P CB 0.657 32.389 31.700 0.052 0.000 0.875 220 A N 2.672 125.525 122.820 0.054 0.000 1.940 220 A HA -0.025 4.296 4.320 0.001 0.000 0.219 220 A C 0.840 178.457 177.584 0.055 0.000 1.176 220 A CA 1.989 54.055 52.037 0.049 0.000 0.631 220 A CB -0.944 18.072 19.000 0.027 0.000 0.814 220 A HN 0.514 nan 8.150 nan 0.000 0.446 221 V N -2.110 117.832 119.914 0.046 0.000 2.638 221 V HA 0.653 4.774 4.120 0.001 0.000 0.306 221 V C -0.053 176.064 176.094 0.039 0.000 1.052 221 V CA -0.524 61.800 62.300 0.041 0.000 0.885 221 V CB 1.064 32.906 31.823 0.032 0.000 0.999 221 V HN 0.541 nan 8.190 nan 0.000 0.424 222 S N 2.359 118.080 115.700 0.034 0.000 2.617 222 S HA 0.535 5.006 4.470 0.001 0.000 0.259 222 S C 1.382 176.005 174.600 0.037 0.000 1.301 222 S CA 0.495 58.714 58.200 0.031 0.000 0.984 222 S CB 1.042 64.254 63.200 0.021 0.000 0.954 222 S HN 1.680 nan 8.310 nan 0.000 0.572 223 E N 0.674 120.896 120.200 0.038 0.000 2.077 223 E HA -0.187 4.163 4.350 0.001 0.000 0.193 223 E C 1.931 178.559 176.600 0.047 0.000 0.989 223 E CA 1.873 58.298 56.400 0.040 0.000 0.800 223 E CB -0.947 28.776 29.700 0.037 0.000 0.746 223 E HN 0.838 nan 8.360 nan 0.000 0.452 224 K N 0.136 120.564 120.400 0.046 0.000 2.057 224 K HA -0.203 4.117 4.320 0.001 0.000 0.207 224 K C 1.816 178.467 176.600 0.085 0.000 1.049 224 K CA 1.709 58.034 56.287 0.064 0.000 0.931 224 K CB -0.170 32.365 32.500 0.058 0.000 0.714 224 K HN 0.309 nan 8.250 nan 0.000 0.440 225 D N 0.929 121.365 120.400 0.061 0.000 2.104 225 D HA -0.176 4.465 4.640 0.001 0.000 0.194 225 D C 1.974 178.298 176.300 0.039 0.000 0.994 225 D CA 1.330 55.356 54.000 0.043 0.000 0.830 225 D CB -0.204 40.614 40.800 0.029 0.000 0.959 225 D HN 0.314 nan 8.370 nan 0.000 0.452 226 I N 0.953 121.551 120.570 0.046 0.000 2.163 226 I HA -0.358 3.813 4.170 0.001 0.000 0.243 226 I C 3.050 179.210 176.117 0.072 0.000 1.085 226 I CA 1.921 63.250 61.300 0.047 0.000 1.347 226 I CB -0.654 37.374 38.000 0.046 0.000 1.044 226 I HN 0.065 nan 8.210 nan 0.000 0.408 227 Q N 0.294 120.155 119.800 0.103 0.000 2.084 227 Q HA -0.276 4.065 4.340 0.001 0.000 0.202 227 Q C 1.799 177.951 176.000 0.253 0.000 0.978 227 Q CA 2.134 58.040 55.803 0.171 0.000 0.844 227 Q CB -0.911 27.920 28.738 0.154 0.000 0.898 227 Q HN 0.512 nan 8.270 nan 0.000 0.426 228 D N 0.241 120.761 120.400 0.200 0.000 2.117 228 D HA -0.041 4.599 4.640 0.001 0.000 0.198 228 D C 1.958 178.207 176.300 -0.086 0.000 0.982 228 D CA 1.051 55.103 54.000 0.088 0.000 0.828 228 D CB -0.103 40.703 40.800 0.011 0.000 0.967 228 D HN 0.508 nan 8.370 nan 0.000 0.464 229 L N 0.614 121.799 121.223 -0.063 0.000 2.056 229 L HA -0.141 4.199 4.340 0.001 0.000 0.207 229 L C 2.351 179.194 176.870 -0.044 0.000 1.078 229 L CA 0.966 55.752 54.840 -0.090 0.000 0.749 229 L CB -0.268 41.758 42.059 -0.054 0.000 0.901 229 L HN -0.093 nan 8.230 nan 0.000 0.433 230 K N -0.219 120.196 120.400 0.026 0.000 2.063 230 K HA -0.214 4.107 4.320 0.001 0.000 0.208 230 K C 2.061 178.696 176.600 0.059 0.000 1.048 230 K CA 1.583 57.898 56.287 0.047 0.000 0.928 230 K CB -0.727 31.825 32.500 0.087 0.000 0.713 230 K HN 0.195 nan 8.250 nan 0.000 0.442 231 F N 1.621 121.529 119.950 -0.069 0.000 2.171 231 F HA -0.097 4.430 4.527 0.001 0.000 0.300 231 F C 2.072 177.784 175.800 -0.147 0.000 1.090 231 F CA 1.609 59.535 58.000 -0.123 0.000 1.293 231 F CB -0.597 38.193 39.000 -0.350 0.000 1.013 231 F HN 0.060 nan 8.300 nan 0.000 0.486 232 G N 0.166 108.827 108.800 -0.232 0.000 2.440 232 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 232 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 232 G C 1.750 176.497 174.900 -0.256 0.000 1.154 232 G CA 1.304 46.217 45.100 -0.312 0.000 0.767 232 G HN 0.341 nan 8.290 nan 0.000 0.552 233 V N 0.818 120.632 119.914 -0.167 0.000 2.343 233 V HA -0.192 3.928 4.120 0.001 0.000 0.247 233 V C 2.680 178.690 176.094 -0.139 0.000 1.051 233 V CA 2.276 64.504 62.300 -0.120 0.000 1.036 233 V CB -0.595 31.189 31.823 -0.065 0.000 0.654 233 V HN 0.490 nan 8.190 nan 0.000 0.451 234 E N -0.226 119.873 120.200 -0.167 0.000 2.058 234 E HA -0.240 4.110 4.350 0.001 0.000 0.194 234 E C 2.114 178.575 176.600 -0.232 0.000 0.997 234 E CA 1.202 57.503 56.400 -0.165 0.000 0.801 234 E CB -0.154 29.460 29.700 -0.142 0.000 0.746 234 E HN 0.540 nan 8.360 nan 0.000 0.450 235 Q N 0.533 120.094 119.800 -0.397 0.000 2.444 235 Q HA -0.046 4.295 4.340 0.001 0.000 0.206 235 Q C -0.246 175.630 176.000 -0.207 0.000 0.948 235 Q CA 0.384 55.972 55.803 -0.359 0.000 0.946 235 Q CB 0.283 28.674 28.738 -0.578 0.000 1.027 235 Q HN 0.207 nan 8.270 nan 0.000 0.513 236 D N 0.135 120.434 120.400 -0.168 0.000 2.716 236 D HA -0.145 4.495 4.640 0.001 0.000 0.239 236 D C -0.222 176.019 176.300 -0.097 0.000 1.125 236 D CA 0.574 54.511 54.000 -0.105 0.000 0.681 236 D CB -1.300 39.458 40.800 -0.070 0.000 1.070 236 D HN 0.157 nan 8.370 nan 0.000 0.432 237 V N -2.576 117.260 119.914 -0.129 0.000 3.051 237 V HA 0.319 4.440 4.120 0.001 0.000 0.306 237 V C 1.392 177.435 176.094 -0.085 0.000 1.083 237 V CA 0.339 62.569 62.300 -0.117 0.000 1.104 237 V CB 1.329 33.054 31.823 -0.164 0.000 1.027 237 V HN 0.052 nan 8.190 nan 0.000 0.483 238 D N 2.203 122.560 120.400 -0.071 0.000 2.301 238 D HA 0.182 4.822 4.640 0.001 0.000 0.206 238 D C 0.612 176.890 176.300 -0.036 0.000 0.979 238 D CA 1.490 55.471 54.000 -0.032 0.000 0.874 238 D CB 0.465 41.265 40.800 0.001 0.000 0.968 238 D HN 0.827 nan 8.370 nan 0.000 0.510 239 M N -1.430 118.114 119.600 -0.094 0.000 2.562 239 M HA 0.432 4.912 4.480 0.001 0.000 0.281 239 M C -1.921 174.257 176.300 -0.204 0.000 1.195 239 M CA -0.872 54.375 55.300 -0.087 0.000 0.888 239 M CB 2.762 35.355 32.600 -0.012 0.000 1.731 239 M HN -0.431 nan 8.290 nan 0.000 0.493 240 V N 2.489 122.337 119.914 -0.110 0.000 2.495 240 V HA 0.558 4.679 4.120 0.001 0.000 0.298 240 V C -1.245 174.910 176.094 0.101 0.000 1.031 240 V CA -0.373 61.852 62.300 -0.125 0.000 0.871 240 V CB 1.845 33.622 31.823 -0.077 0.000 0.988 240 V HN 0.681 nan 8.190 nan 0.000 0.432 241 F N 3.524 123.453 119.950 -0.036 0.000 2.335 241 F HA 0.617 5.145 4.527 0.001 0.000 0.365 241 F C 0.747 176.536 175.800 -0.017 0.000 1.122 241 F CA -1.534 56.454 58.000 -0.020 0.000 1.151 241 F CB 0.801 39.800 39.000 -0.002 0.000 1.282 241 F HN 0.514 nan 8.300 nan 0.000 0.513 242 A N 2.827 125.743 122.820 0.160 0.000 2.302 242 A HA 0.512 4.832 4.320 0.001 0.000 0.295 242 A C 0.456 178.091 177.584 0.085 0.000 1.235 242 A CA -0.339 51.748 52.037 0.083 0.000 0.876 242 A CB -0.023 19.002 19.000 0.040 0.000 1.133 242 A HN 0.585 nan 8.150 nan 0.000 0.533 243 S N 1.185 116.945 115.700 0.101 0.000 2.564 243 S HA 0.380 4.851 4.470 0.001 0.000 0.278 243 S C 0.207 174.926 174.600 0.198 0.000 1.333 243 S CA 0.060 58.339 58.200 0.132 0.000 1.048 243 S CB -0.247 63.024 63.200 0.119 0.000 0.900 243 S HN 1.224 nan 8.310 nan 0.000 0.505 244 F N 1.231 121.174 119.950 -0.011 0.000 3.071 244 F HA -0.171 4.357 4.527 0.001 0.000 0.295 244 F C -0.470 175.314 175.800 -0.026 0.000 0.919 244 F CA -0.302 57.685 58.000 -0.022 0.000 1.050 244 F CB -0.865 38.116 39.000 -0.032 0.000 1.040 244 F HN 0.396 nan 8.300 nan 0.000 0.692 245 I N 2.047 122.555 120.570 -0.103 0.000 2.471 245 I HA 0.093 4.263 4.170 0.001 0.000 0.286 245 I C 1.322 177.294 176.117 -0.243 0.000 1.079 245 I CA 0.422 61.635 61.300 -0.146 0.000 1.398 245 I CB 1.288 39.231 38.000 -0.095 0.000 1.403 245 I HN 0.379 nan 8.210 nan 0.000 0.530 246 R N 4.743 125.093 120.500 -0.250 0.000 2.394 246 R HA 0.190 4.531 4.340 0.001 0.000 0.220 246 R C -0.293 175.912 176.300 -0.160 0.000 0.887 246 R CA 0.140 56.089 56.100 -0.252 0.000 1.034 246 R CB 0.661 30.780 30.300 -0.302 0.000 1.179 246 R HN 0.627 nan 8.270 nan 0.000 0.561 247 K N -2.335 117.978 120.400 -0.144 0.000 2.642 247 K HA 0.458 4.778 4.320 0.001 0.000 0.290 247 K C -0.214 176.291 176.600 -0.159 0.000 1.006 247 K CA -0.295 55.917 56.287 -0.124 0.000 0.869 247 K CB 1.045 33.494 32.500 -0.085 0.000 1.499 247 K HN -0.145 nan 8.250 nan 0.000 0.403 248 A N 1.034 123.750 122.820 -0.174 0.000 1.978 248 A HA -0.192 4.129 4.320 0.001 0.000 0.220 248 A C 2.072 179.400 177.584 -0.427 0.000 1.170 248 A CA 2.410 54.264 52.037 -0.306 0.000 0.636 248 A CB -1.063 17.804 19.000 -0.222 0.000 0.810 248 A HN 0.859 nan 8.150 nan 0.000 0.448 249 S N 0.058 115.668 115.700 -0.150 0.000 2.447 249 S HA -0.155 4.316 4.470 0.001 0.000 0.233 249 S C 1.235 175.810 174.600 -0.042 0.000 1.006 249 S CA 1.279 59.477 58.200 -0.003 0.000 0.957 249 S CB -0.407 62.829 63.200 0.059 0.000 0.773 249 S HN 0.539 nan 8.310 nan 0.000 0.507 250 D N 1.838 122.183 120.400 -0.092 0.000 2.117 250 D HA -0.014 4.626 4.640 0.001 0.000 0.198 250 D C 2.152 178.404 176.300 -0.080 0.000 0.982 250 D CA 1.021 54.982 54.000 -0.064 0.000 0.828 250 D CB -0.524 40.233 40.800 -0.071 0.000 0.967 250 D HN 0.376 nan 8.370 nan 0.000 0.464 251 V N 0.923 120.734 119.914 -0.172 0.000 2.343 251 V HA -0.249 3.871 4.120 0.001 0.000 0.247 251 V C 2.037 178.077 176.094 -0.089 0.000 1.051 251 V CA 1.707 63.906 62.300 -0.167 0.000 1.036 251 V CB -0.858 30.806 31.823 -0.264 0.000 0.654 251 V HN 0.307 nan 8.190 nan 0.000 0.451 252 H N -0.042 119.015 119.070 -0.022 0.000 2.387 252 H HA -0.129 4.428 4.556 0.001 0.000 0.299 252 H C 2.438 177.761 175.328 -0.009 0.000 1.090 252 H CA 1.504 57.542 56.048 -0.016 0.000 1.332 252 H CB 0.101 29.853 29.762 -0.016 0.000 1.386 252 H HN 0.513 nan 8.280 nan 0.000 0.516 253 E N 0.356 120.619 120.200 0.104 0.000 2.072 253 E HA -0.131 4.219 4.350 0.001 0.000 0.191 253 E C 2.346 178.970 176.600 0.040 0.000 0.985 253 E CA 1.156 57.593 56.400 0.061 0.000 0.801 253 E CB 0.097 29.823 29.700 0.044 0.000 0.750 253 E HN 0.232 nan 8.360 nan 0.000 0.452 254 V N 1.172 121.101 119.914 0.026 0.000 2.343 254 V HA -0.258 3.863 4.120 0.001 0.000 0.247 254 V C 2.370 178.475 176.094 0.018 0.000 1.051 254 V CA 1.899 64.208 62.300 0.014 0.000 1.036 254 V CB -0.472 31.352 31.823 0.002 0.000 0.654 254 V HN 0.124 nan 8.190 nan 0.000 0.451 255 R N 1.292 121.811 120.500 0.032 0.000 2.091 255 R HA -0.177 4.164 4.340 0.001 0.000 0.238 255 R C 2.353 178.671 176.300 0.030 0.000 1.136 255 R CA 2.437 58.559 56.100 0.037 0.000 0.959 255 R CB -0.699 29.644 30.300 0.071 0.000 0.856 255 R HN 0.481 nan 8.270 nan 0.000 0.437 256 K N -0.255 120.168 120.400 0.037 0.000 2.057 256 K HA -0.020 4.301 4.320 0.001 0.000 0.207 256 K C 2.178 178.789 176.600 0.019 0.000 1.049 256 K CA 1.768 58.070 56.287 0.026 0.000 0.931 256 K CB -1.093 31.424 32.500 0.030 0.000 0.714 256 K HN 0.142 nan 8.250 nan 0.000 0.440 257 V N 1.332 121.257 119.914 0.019 0.000 2.343 257 V HA -0.199 3.921 4.120 0.001 0.000 0.247 257 V C 2.555 178.653 176.094 0.006 0.000 1.051 257 V CA 1.696 64.005 62.300 0.015 0.000 1.036 257 V CB -0.445 31.386 31.823 0.014 0.000 0.654 257 V HN 0.506 nan 8.190 nan 0.000 0.451 258 L N -0.213 121.010 121.223 0.000 0.000 2.131 258 L HA 0.128 4.469 4.340 0.001 0.000 0.210 258 L C 1.524 178.391 176.870 -0.005 0.000 1.092 258 L CA 1.063 55.897 54.840 -0.010 0.000 0.759 258 L CB -1.074 40.977 42.059 -0.014 0.000 0.903 258 L HN 0.595 nan 8.230 nan 0.000 0.435 259 G N 0.243 109.044 108.800 0.002 0.000 2.697 259 G HA2 -0.396 3.565 3.960 0.001 0.000 0.240 259 G HA3 -0.396 3.565 3.960 0.001 0.000 0.240 259 G C 0.456 175.356 174.900 0.000 0.000 1.346 259 G CA 0.391 45.492 45.100 0.003 0.000 0.887 259 G HN 0.293 nan 8.290 nan 0.000 0.569 260 E N -0.037 120.163 120.200 0.000 0.000 2.058 260 E HA -0.116 4.235 4.350 0.001 0.000 0.194 260 E C 2.759 179.357 176.600 -0.003 0.000 0.997 260 E CA 2.690 59.089 56.400 -0.001 0.000 0.801 260 E CB -0.291 29.409 29.700 -0.001 0.000 0.746 260 E HN 0.508 nan 8.360 nan 0.000 0.450 261 K N -0.951 119.446 120.400 -0.005 0.000 2.063 261 K HA -0.012 4.308 4.320 0.001 0.000 0.208 261 K C 2.035 178.627 176.600 -0.014 0.000 1.048 261 K CA 1.204 57.485 56.287 -0.009 0.000 0.928 261 K CB -1.047 31.447 32.500 -0.010 0.000 0.713 261 K HN 0.437 nan 8.250 nan 0.000 0.442 262 G N 1.508 110.299 108.800 -0.015 0.000 3.523 262 G HA2 0.018 3.979 3.960 0.001 0.000 0.270 262 G HA3 0.018 3.979 3.960 0.001 0.000 0.270 262 G C 1.054 175.948 174.900 -0.010 0.000 1.134 262 G CA -0.027 45.062 45.100 -0.020 0.000 0.825 262 G HN 0.593 nan 8.290 nan 0.000 0.534 263 K N -0.264 120.133 120.400 -0.004 0.000 2.280 263 K HA -0.018 4.303 4.320 0.001 0.000 0.202 263 K C 1.093 177.698 176.600 0.008 0.000 1.047 263 K CA 0.941 57.230 56.287 0.003 0.000 0.942 263 K CB 0.014 32.516 32.500 0.003 0.000 0.739 263 K HN 0.064 nan 8.250 nan 0.000 0.457 264 N N 0.722 119.426 118.700 0.006 0.000 2.236 264 N HA 0.180 4.920 4.740 0.001 0.000 0.196 264 N C -0.112 175.408 175.510 0.017 0.000 1.114 264 N CA 0.048 53.107 53.050 0.015 0.000 0.859 264 N CB 0.378 38.873 38.487 0.014 0.000 0.982 264 N HN 0.215 nan 8.380 nan 0.000 0.493 265 I N 1.839 122.410 120.570 0.003 0.000 2.496 265 I HA 0.026 4.197 4.170 0.001 0.000 0.285 265 I C 0.456 176.579 176.117 0.011 0.000 1.080 265 I CA -0.342 60.956 61.300 -0.004 0.000 1.404 265 I CB 0.588 38.569 38.000 -0.032 0.000 1.403 265 I HN -0.353 nan 8.210 nan 0.000 0.539 266 K N 7.272 127.687 120.400 0.025 0.000 2.298 266 K HA 0.435 4.755 4.320 0.001 0.000 0.280 266 K C -0.387 176.236 176.600 0.039 0.000 1.032 266 K CA -0.176 56.136 56.287 0.041 0.000 0.958 266 K CB 1.129 33.666 32.500 0.062 0.000 0.978 266 K HN 0.511 nan 8.250 nan 0.000 0.472 267 I N 4.602 125.193 120.570 0.034 0.000 2.330 267 I HA 0.189 4.360 4.170 0.001 0.000 0.289 267 I C -0.104 176.037 176.117 0.040 0.000 1.001 267 I CA -0.720 60.602 61.300 0.036 0.000 1.193 267 I CB 0.881 38.887 38.000 0.010 0.000 1.345 267 I HN 0.189 nan 8.210 nan 0.000 0.461 268 I N 5.298 125.929 120.570 0.101 0.000 2.328 268 I HA 0.218 4.388 4.170 0.001 0.000 0.287 268 I C 0.361 176.495 176.117 0.028 0.000 1.012 268 I CA -0.196 61.139 61.300 0.060 0.000 1.195 268 I CB 1.140 39.205 38.000 0.108 0.000 1.350 268 I HN 0.443 nan 8.210 nan 0.000 0.464 269 S N 6.602 122.283 115.700 -0.033 0.000 2.499 269 S HA 0.262 4.732 4.470 0.001 0.000 0.275 269 S C 0.261 174.839 174.600 -0.037 0.000 1.257 269 S CA -0.581 57.595 58.200 -0.039 0.000 1.050 269 S CB 0.506 63.655 63.200 -0.086 0.000 0.937 269 S HN 0.363 nan 8.310 nan 0.000 0.490 270 K N 3.047 123.439 120.400 -0.014 0.000 2.285 270 K HA 0.301 4.621 4.320 0.001 0.000 0.286 270 K C -0.524 176.072 176.600 -0.006 0.000 1.072 270 K CA -0.354 55.925 56.287 -0.013 0.000 0.913 270 K CB 0.478 32.990 32.500 0.020 0.000 1.067 270 K HN 0.424 nan 8.250 nan 0.000 0.479 271 I N 3.828 124.396 120.570 -0.002 0.000 2.301 271 I HA 0.057 4.228 4.170 0.001 0.000 0.292 271 I C 0.732 176.840 176.117 -0.014 0.000 1.046 271 I CA 0.410 61.706 61.300 -0.006 0.000 1.282 271 I CB 0.736 38.765 38.000 0.049 0.000 1.409 271 I HN 0.777 nan 8.210 nan 0.000 0.484 272 E N 4.280 124.468 120.200 -0.019 0.000 2.641 272 E HA 0.075 4.425 4.350 0.001 0.000 0.224 272 E C -0.112 176.514 176.600 0.044 0.000 0.951 272 E CA -0.086 56.341 56.400 0.044 0.000 1.102 272 E CB 0.773 30.580 29.700 0.178 0.000 1.091 272 E HN 0.756 nan 8.360 nan 0.000 0.507 273 N N -1.080 117.601 118.700 -0.031 0.000 3.039 273 N HA -0.017 4.724 4.740 0.001 0.000 0.257 273 N C 0.364 175.863 175.510 -0.018 0.000 1.497 273 N CA -0.530 52.520 53.050 0.001 0.000 0.861 273 N CB 0.539 39.039 38.487 0.021 0.000 1.479 273 N HN -0.206 nan 8.380 nan 0.000 0.547 274 H N -0.112 118.931 119.070 -0.044 0.000 2.353 274 H HA -0.062 4.495 4.556 0.001 0.000 0.300 274 H C 1.058 176.353 175.328 -0.056 0.000 1.090 274 H CA 2.262 58.283 56.048 -0.044 0.000 1.327 274 H CB 0.327 30.075 29.762 -0.023 0.000 1.383 274 H HN 0.778 nan 8.280 nan 0.000 0.508 275 E N -0.297 119.905 120.200 0.003 0.000 2.077 275 E HA -0.107 4.244 4.350 0.001 0.000 0.193 275 E C 2.408 178.934 176.600 -0.123 0.000 0.989 275 E CA 0.797 57.167 56.400 -0.050 0.000 0.800 275 E CB -0.260 29.412 29.700 -0.048 0.000 0.746 275 E HN 0.583 nan 8.360 nan 0.000 0.452 276 G N 0.527 109.237 108.800 -0.149 0.000 2.440 276 G HA2 -0.247 3.713 3.960 0.001 0.000 0.218 276 G HA3 -0.247 3.713 3.960 0.001 0.000 0.218 276 G C 1.630 176.501 174.900 -0.049 0.000 1.154 276 G CA 1.039 46.069 45.100 -0.115 0.000 0.767 276 G HN 0.227 nan 8.290 nan 0.000 0.552 277 V N 1.120 120.960 119.914 -0.124 0.000 2.358 277 V HA -0.079 4.041 4.120 0.001 0.000 0.246 277 V C 3.459 179.466 176.094 -0.146 0.000 1.047 277 V CA 2.572 64.781 62.300 -0.150 0.000 1.035 277 V CB -0.983 30.685 31.823 -0.258 0.000 0.658 277 V HN 0.534 nan 8.190 nan 0.000 0.452 278 R N 0.588 120.941 120.500 -0.245 0.000 2.096 278 R HA -0.056 4.284 4.340 0.001 0.000 0.235 278 R C 2.079 178.343 176.300 -0.060 0.000 1.127 278 R CA 1.580 57.575 56.100 -0.175 0.000 0.968 278 R CB -0.872 29.320 30.300 -0.179 0.000 0.861 278 R HN 0.622 nan 8.270 nan 0.000 0.440 279 R N -0.812 119.660 120.500 -0.046 0.000 2.586 279 R HA 0.246 4.586 4.340 0.001 0.000 0.306 279 R C 1.022 177.311 176.300 -0.018 0.000 1.079 279 R CA -0.209 55.871 56.100 -0.034 0.000 1.083 279 R CB -0.272 29.992 30.300 -0.059 0.000 1.306 279 R HN 0.478 nan 8.270 nan 0.000 0.567 280 F N 1.782 121.663 119.950 -0.115 0.000 2.134 280 F HA -0.198 4.330 4.527 0.001 0.000 0.299 280 F C 1.458 177.205 175.800 -0.089 0.000 1.097 280 F CA 1.713 59.647 58.000 -0.109 0.000 1.264 280 F CB 0.219 39.151 39.000 -0.113 0.000 1.001 280 F HN 0.018 nan 8.300 nan 0.000 0.479 281 D N 0.455 120.832 120.400 -0.039 0.000 2.104 281 D HA -0.242 4.398 4.640 0.001 0.000 0.194 281 D C 2.177 178.361 176.300 -0.194 0.000 0.994 281 D CA 1.887 55.820 54.000 -0.111 0.000 0.830 281 D CB -0.582 40.214 40.800 -0.008 0.000 0.959 281 D HN 0.687 nan 8.370 nan 0.000 0.452 282 E N 0.474 120.586 120.200 -0.147 0.000 2.150 282 E HA -0.120 4.230 4.350 0.001 0.000 0.193 282 E C 2.217 178.693 176.600 -0.207 0.000 0.985 282 E CA 0.659 56.976 56.400 -0.138 0.000 0.814 282 E CB -0.408 29.238 29.700 -0.090 0.000 0.752 282 E HN 0.269 nan 8.360 nan 0.000 0.466 283 I N 0.596 120.998 120.570 -0.279 0.000 2.202 283 I HA -0.215 3.956 4.170 0.001 0.000 0.242 283 I C 2.493 178.380 176.117 -0.382 0.000 1.091 283 I CA 0.597 61.704 61.300 -0.322 0.000 1.368 283 I CB -0.234 37.577 38.000 -0.315 0.000 1.058 283 I HN 0.174 nan 8.210 nan 0.000 0.410 284 L N 0.939 121.815 121.223 -0.578 0.000 2.012 284 L HA -0.250 4.090 4.340 0.001 0.000 0.210 284 L C 2.526 179.238 176.870 -0.264 0.000 1.073 284 L CA 1.961 56.494 54.840 -0.511 0.000 0.748 284 L CB -0.887 40.778 42.059 -0.657 0.000 0.891 284 L HN 0.244 nan 8.230 nan 0.000 0.431 285 E N -0.091 119.983 120.200 -0.212 0.000 2.085 285 E HA -0.235 4.116 4.350 0.001 0.000 0.194 285 E C 1.939 178.489 176.600 -0.083 0.000 0.994 285 E CA 1.553 57.885 56.400 -0.114 0.000 0.801 285 E CB -0.121 29.530 29.700 -0.081 0.000 0.743 285 E HN 0.597 nan 8.360 nan 0.000 0.453 286 A N 0.299 123.049 122.820 -0.115 0.000 2.119 286 A HA 0.055 4.376 4.320 0.001 0.000 0.216 286 A C 1.408 178.939 177.584 -0.087 0.000 1.152 286 A CA 0.384 52.367 52.037 -0.089 0.000 0.708 286 A CB 0.091 18.938 19.000 -0.257 0.000 0.805 286 A HN 0.151 nan 8.150 nan 0.000 0.460 287 S N -0.122 115.506 115.700 -0.119 0.000 2.713 287 S HA 0.310 4.780 4.470 0.001 0.000 0.283 287 S C 0.061 174.625 174.600 -0.061 0.000 1.161 287 S CA -0.560 57.583 58.200 -0.095 0.000 0.999 287 S CB 1.074 64.195 63.200 -0.131 0.000 1.039 287 S HN 0.379 nan 8.310 nan 0.000 0.548 288 D N 0.403 120.781 120.400 -0.037 0.000 2.305 288 D HA 0.237 4.878 4.640 0.001 0.000 0.206 288 D C 0.857 177.121 176.300 -0.061 0.000 0.974 288 D CA 0.601 54.588 54.000 -0.021 0.000 0.871 288 D CB 0.332 41.138 40.800 0.011 0.000 0.947 288 D HN 0.627 nan 8.370 nan 0.000 0.516 289 G N -0.299 108.454 108.800 -0.078 0.000 2.489 289 G HA2 0.468 4.428 3.960 0.001 0.000 0.305 289 G HA3 0.468 4.428 3.960 0.001 0.000 0.305 289 G C -1.807 173.036 174.900 -0.095 0.000 1.311 289 G CA -0.558 44.477 45.100 -0.109 0.000 0.813 289 G HN -0.083 nan 8.290 nan 0.000 0.480 290 I N 0.498 121.015 120.570 -0.088 0.000 2.647 290 I HA 0.520 4.690 4.170 0.001 0.000 0.295 290 I C -0.475 175.577 176.117 -0.108 0.000 1.078 290 I CA -0.676 60.594 61.300 -0.049 0.000 1.048 290 I CB 1.998 40.055 38.000 0.094 0.000 1.239 290 I HN 0.633 nan 8.210 nan 0.000 0.421 291 M N 5.488 125.012 119.600 -0.127 0.000 2.227 291 M HA 0.442 4.922 4.480 0.001 0.000 0.335 291 M C -1.289 174.958 176.300 -0.088 0.000 1.053 291 M CA -0.717 54.480 55.300 -0.173 0.000 0.973 291 M CB 1.588 34.016 32.600 -0.286 0.000 1.623 291 M HN 0.277 nan 8.290 nan 0.000 0.434 292 V N 5.284 125.148 119.914 -0.083 0.000 2.381 292 V HA 0.220 4.340 4.120 0.001 0.000 0.257 292 V C 0.583 176.642 176.094 -0.059 0.000 1.057 292 V CA -0.270 61.989 62.300 -0.067 0.000 1.013 292 V CB 0.073 31.850 31.823 -0.077 0.000 1.069 292 V HN 0.874 nan 8.190 nan 0.000 0.484 293 A N 6.139 128.934 122.820 -0.041 0.000 2.923 293 A HA 0.335 4.656 4.320 0.001 0.000 0.306 293 A C 1.432 179.009 177.584 -0.012 0.000 1.542 293 A CA -0.392 51.632 52.037 -0.022 0.000 1.225 293 A CB -0.314 18.688 19.000 0.002 0.000 1.147 293 A HN 0.851 nan 8.150 nan 0.000 0.542 294 R N 1.393 121.883 120.500 -0.016 0.000 2.148 294 R HA -0.100 4.241 4.340 0.001 0.000 0.227 294 R C 2.250 178.546 176.300 -0.007 0.000 1.103 294 R CA 1.192 57.284 56.100 -0.014 0.000 0.983 294 R CB -0.060 30.234 30.300 -0.010 0.000 0.874 294 R HN 0.696 nan 8.270 nan 0.000 0.451 295 G N 1.839 110.639 108.800 0.000 0.000 2.552 295 G HA2 -0.282 3.679 3.960 0.001 0.000 0.216 295 G HA3 -0.282 3.679 3.960 0.001 0.000 0.216 295 G C 0.934 175.829 174.900 -0.007 0.000 1.240 295 G CA 1.093 46.193 45.100 0.001 0.000 0.796 295 G HN 0.199 nan 8.290 nan 0.000 0.568 296 D N 0.074 120.477 120.400 0.006 0.000 2.178 296 D HA -0.067 4.574 4.640 0.001 0.000 0.202 296 D C 2.441 178.743 176.300 0.003 0.000 0.974 296 D CA 0.445 54.451 54.000 0.009 0.000 0.841 296 D CB -0.213 40.617 40.800 0.050 0.000 0.953 296 D HN 0.173 nan 8.370 nan 0.000 0.478 297 L N 0.983 122.207 121.223 0.002 0.000 2.079 297 L HA -0.043 4.298 4.340 0.001 0.000 0.210 297 L C 2.136 178.987 176.870 -0.031 0.000 1.081 297 L CA 1.739 56.572 54.840 -0.011 0.000 0.752 297 L CB -0.735 41.309 42.059 -0.025 0.000 0.896 297 L HN 0.032 nan 8.230 nan 0.000 0.433 298 G N -1.492 107.285 108.800 -0.039 0.000 2.848 298 G HA2 -0.043 3.918 3.960 0.001 0.000 0.208 298 G HA3 -0.043 3.918 3.960 0.001 0.000 0.208 298 G C 1.444 176.276 174.900 -0.113 0.000 1.152 298 G CA 0.530 45.597 45.100 -0.055 0.000 0.789 298 G HN 0.470 nan 8.290 nan 0.000 0.531 299 I N -0.270 120.215 120.570 -0.141 0.000 2.628 299 I HA 0.046 4.216 4.170 0.001 0.000 0.255 299 I C 2.372 178.301 176.117 -0.313 0.000 1.119 299 I CA 0.427 61.551 61.300 -0.292 0.000 1.448 299 I CB 0.049 37.911 38.000 -0.229 0.000 1.133 299 I HN 0.010 nan 8.210 nan 0.000 0.438 300 E N 1.517 121.647 120.200 -0.117 0.000 2.152 300 E HA -0.007 4.344 4.350 0.001 0.000 0.192 300 E C 0.815 177.418 176.600 0.005 0.000 0.983 300 E CA 0.833 57.222 56.400 -0.019 0.000 0.818 300 E CB 0.160 29.892 29.700 0.054 0.000 0.758 300 E HN 0.545 nan 8.360 nan 0.000 0.467 301 I N -2.330 118.232 120.570 -0.014 0.000 2.957 301 I HA 0.476 4.646 4.170 0.001 0.000 0.310 301 I C -2.747 173.359 176.117 -0.019 0.000 1.063 301 I CA -3.046 58.261 61.300 0.011 0.000 1.033 301 I CB 2.127 40.148 38.000 0.034 0.000 1.230 301 I HN -0.363 nan 8.210 nan 0.000 0.447 302 P HA 0.061 nan 4.420 nan 0.000 0.264 302 P C 0.370 177.671 177.300 0.002 0.000 1.193 302 P CA 0.167 63.271 63.100 0.007 0.000 0.763 302 P CB 1.014 32.728 31.700 0.024 0.000 0.810 303 A N 4.704 127.524 122.820 0.001 0.000 1.978 303 A HA -0.212 4.108 4.320 0.001 0.000 0.220 303 A C 1.792 179.409 177.584 0.056 0.000 1.170 303 A CA 1.558 53.602 52.037 0.013 0.000 0.636 303 A CB -0.876 18.128 19.000 0.007 0.000 0.810 303 A HN 0.667 nan 8.150 nan 0.000 0.448 304 E N 0.471 120.714 120.200 0.072 0.000 2.409 304 E HA -0.150 4.200 4.350 0.001 0.000 0.198 304 E C 1.141 177.853 176.600 0.187 0.000 1.024 304 E CA 1.178 57.663 56.400 0.142 0.000 0.861 304 E CB -0.254 29.515 29.700 0.116 0.000 0.788 304 E HN 0.662 nan 8.360 nan 0.000 0.521 305 K N 0.585 121.010 120.400 0.041 0.000 2.367 305 K HA 0.141 4.461 4.320 0.001 0.000 0.194 305 K C 1.940 178.422 176.600 -0.196 0.000 1.027 305 K CA 0.194 56.409 56.287 -0.120 0.000 1.075 305 K CB 0.586 33.028 32.500 -0.096 0.000 0.845 305 K HN -0.073 nan 8.250 nan 0.000 0.529 306 V N 1.976 121.860 119.914 -0.049 0.000 2.392 306 V HA -0.281 3.839 4.120 0.001 0.000 0.249 306 V C 2.072 178.123 176.094 -0.072 0.000 1.059 306 V CA 1.994 64.263 62.300 -0.050 0.000 1.051 306 V CB -0.663 31.165 31.823 0.009 0.000 0.658 306 V HN 0.366 nan 8.190 nan 0.000 0.455 307 F N -0.016 119.907 119.950 -0.046 0.000 2.216 307 F HA -0.114 4.413 4.527 0.000 0.000 0.300 307 F C 1.909 177.671 175.800 -0.063 0.000 1.085 307 F CA 1.435 59.405 58.000 -0.050 0.000 1.326 307 F CB -0.988 37.989 39.000 -0.038 0.000 1.027 307 F HN 0.084 nan 8.300 nan 0.000 0.497 308 L N 0.955 121.559 121.223 -1.031 0.000 2.027 308 L HA -0.102 4.239 4.340 0.001 0.000 0.206 308 L C 3.042 179.690 176.870 -0.370 0.000 1.074 308 L CA 1.211 55.617 54.840 -0.723 0.000 0.745 308 L CB -1.248 40.387 42.059 -0.707 0.000 0.898 308 L HN 0.332 nan 8.230 nan 0.000 0.433 309 A N -0.361 122.270 122.820 -0.315 0.000 1.902 309 A HA -0.286 4.034 4.320 0.001 0.000 0.217 309 A C 2.293 179.731 177.584 -0.245 0.000 1.181 309 A CA 1.957 53.838 52.037 -0.259 0.000 0.623 309 A CB -0.608 18.269 19.000 -0.206 0.000 0.818 309 A HN 0.532 nan 8.150 nan 0.000 0.443 310 Q N -0.203 119.492 119.800 -0.174 0.000 2.046 310 Q HA -0.204 4.137 4.340 0.001 0.000 0.200 310 Q C 1.957 177.879 176.000 -0.130 0.000 0.975 310 Q CA 1.927 57.654 55.803 -0.127 0.000 0.836 310 Q CB -0.166 28.543 28.738 -0.049 0.000 0.896 310 Q HN 0.652 nan 8.270 nan 0.000 0.428 311 K N 0.006 120.343 120.400 -0.105 0.000 2.057 311 K HA -0.117 4.204 4.320 0.001 0.000 0.206 311 K C 2.225 178.744 176.600 -0.135 0.000 1.050 311 K CA 1.311 57.549 56.287 -0.082 0.000 0.935 311 K CB -0.206 32.278 32.500 -0.025 0.000 0.715 311 K HN 0.308 nan 8.250 nan 0.000 0.439 312 M N 0.829 120.312 119.600 -0.194 0.000 2.080 312 M HA -0.187 4.294 4.480 0.001 0.000 0.260 312 M C 1.923 178.023 176.300 -0.333 0.000 1.068 312 M CA 1.860 57.016 55.300 -0.240 0.000 1.109 312 M CB -0.268 32.165 32.600 -0.279 0.000 1.342 312 M HN 0.214 nan 8.290 nan 0.000 0.405 313 M N -0.563 118.765 119.600 -0.453 0.000 2.156 313 M HA -0.166 4.314 4.480 0.001 0.000 0.264 313 M C 2.139 178.303 176.300 -0.227 0.000 1.067 313 M CA 1.321 56.243 55.300 -0.629 0.000 1.131 313 M CB -0.423 31.779 32.600 -0.663 0.000 1.368 313 M HN 0.249 nan 8.290 nan 0.000 0.416 314 I N -0.053 120.427 120.570 -0.150 0.000 2.226 314 I HA -0.187 3.983 4.170 0.001 0.000 0.245 314 I C 2.614 178.702 176.117 -0.049 0.000 1.100 314 I CA 1.390 62.647 61.300 -0.071 0.000 1.374 314 I CB -0.924 37.041 38.000 -0.058 0.000 1.057 314 I HN 0.349 nan 8.210 nan 0.000 0.413 315 G N 0.741 109.500 108.800 -0.069 0.000 2.459 315 G HA2 -0.248 3.712 3.960 0.001 0.000 0.217 315 G HA3 -0.248 3.712 3.960 0.001 0.000 0.217 315 G C 1.814 176.701 174.900 -0.022 0.000 1.183 315 G CA 0.577 45.648 45.100 -0.049 0.000 0.776 315 G HN 0.289 nan 8.290 nan 0.000 0.552 316 R N -0.745 119.748 120.500 -0.013 0.000 2.115 316 R HA -0.021 4.320 4.340 0.001 0.000 0.230 316 R C 2.690 179.056 176.300 0.110 0.000 1.111 316 R CA 1.090 57.236 56.100 0.075 0.000 0.976 316 R CB -0.578 29.832 30.300 0.184 0.000 0.870 316 R HN 0.395 nan 8.270 nan 0.000 0.445 317 C N 0.574 119.943 119.300 0.116 0.000 2.446 317 C HA -0.048 4.413 4.460 0.001 0.000 0.277 317 C C 2.201 177.202 174.990 0.020 0.000 1.275 317 C CA 0.677 59.741 59.018 0.077 0.000 1.727 317 C CB -1.167 26.613 27.740 0.067 0.000 2.010 317 C HN 0.573 nan 8.230 nan 0.000 0.486 318 N N 0.087 118.791 118.700 0.006 0.000 2.104 318 N HA -0.186 4.554 4.740 0.001 0.000 0.190 318 N C 2.056 177.553 175.510 -0.022 0.000 1.024 318 N CA 0.957 54.002 53.050 -0.008 0.000 0.853 318 N CB -0.251 38.231 38.487 -0.007 0.000 1.008 318 N HN 0.507 nan 8.380 nan 0.000 0.424 319 R N 0.729 121.222 120.500 -0.011 0.000 2.120 319 R HA -0.020 4.320 4.340 0.001 0.000 0.234 319 R C 1.835 178.122 176.300 -0.021 0.000 1.123 319 R CA 1.164 57.253 56.100 -0.018 0.000 0.975 319 R CB -0.019 30.279 30.300 -0.004 0.000 0.866 319 R HN 0.168 nan 8.270 nan 0.000 0.446 320 A N -0.658 122.159 122.820 -0.006 0.000 2.178 320 A HA 0.191 4.511 4.320 0.001 0.000 0.211 320 A C 1.276 178.855 177.584 -0.009 0.000 1.157 320 A CA 0.754 52.787 52.037 -0.007 0.000 0.780 320 A CB 0.050 19.048 19.000 -0.003 0.000 0.828 320 A HN 0.482 nan 8.150 nan 0.000 0.476 321 G N -0.470 108.321 108.800 -0.015 0.000 2.176 321 G HA2 -0.262 3.699 3.960 0.001 0.000 0.252 321 G HA3 -0.262 3.699 3.960 0.001 0.000 0.252 321 G C 0.062 175.006 174.900 0.074 0.000 1.024 321 G CA 0.704 45.812 45.100 0.013 0.000 0.755 321 G HN 0.569 nan 8.290 nan 0.000 0.507 322 K N 0.462 120.871 120.400 0.015 0.000 2.164 322 K HA 0.488 4.809 4.320 0.001 0.000 0.258 322 K C -2.524 173.994 176.600 -0.138 0.000 0.951 322 K CA -2.212 54.053 56.287 -0.036 0.000 0.844 322 K CB 1.932 34.405 32.500 -0.044 0.000 1.099 322 K HN -0.054 nan 8.250 nan 0.000 0.435 323 P HA -0.005 nan 4.420 nan 0.000 0.268 323 P C -1.082 176.097 177.300 -0.202 0.000 1.205 323 P CA -0.292 62.573 63.100 -0.391 0.000 0.771 323 P CB 0.711 32.030 31.700 -0.634 0.000 0.858 324 V N 5.015 124.839 119.914 -0.149 0.000 2.709 324 V HA 0.508 4.629 4.120 0.001 0.000 0.308 324 V C -0.846 175.182 176.094 -0.111 0.000 1.062 324 V CA -0.881 61.359 62.300 -0.101 0.000 0.901 324 V CB 1.502 33.297 31.823 -0.046 0.000 1.003 324 V HN 0.294 nan 8.190 nan 0.000 0.425 325 I N 6.060 126.548 120.570 -0.135 0.000 2.404 325 I HA 0.455 4.626 4.170 0.001 0.000 0.293 325 I C -0.168 175.882 176.117 -0.111 0.000 0.992 325 I CA -0.357 60.857 61.300 -0.144 0.000 1.149 325 I CB 1.618 39.466 38.000 -0.254 0.000 1.315 325 I HN 0.641 nan 8.210 nan 0.000 0.446 326 C N 6.349 125.603 119.300 -0.076 0.000 2.307 326 C HA 0.875 5.335 4.460 0.001 0.000 0.340 326 C C 0.333 175.293 174.990 -0.050 0.000 1.275 326 C CA -0.122 58.863 59.018 -0.056 0.000 1.811 326 C CB -0.462 27.259 27.740 -0.032 0.000 2.372 326 C HN 0.867 nan 8.230 nan 0.000 0.531 327 A N 4.506 127.298 122.820 -0.046 0.000 2.454 327 A HA 0.919 5.240 4.320 0.001 0.000 0.302 327 A C -0.196 177.382 177.584 -0.010 0.000 1.079 327 A CA -0.154 51.864 52.037 -0.032 0.000 0.731 327 A CB 1.082 20.050 19.000 -0.054 0.000 1.299 327 A HN 1.437 nan 8.150 nan 0.000 0.413 328 T N 1.424 115.982 114.554 0.006 0.000 0.660 328 T HA -0.080 4.271 4.350 0.001 0.000 0.762 328 T C 0.041 174.751 174.700 0.016 0.000 0.990 328 T CA 0.588 62.698 62.100 0.016 0.000 4.021 328 T CB -1.342 67.534 68.868 0.013 0.000 2.273 328 T HN 1.519 nan 8.240 nan 0.000 0.396 329 Q N 0.086 119.899 119.800 0.023 0.000 2.481 329 Q HA -0.256 4.084 4.340 0.001 0.000 0.258 329 Q C 1.509 177.520 176.000 0.018 0.000 0.961 329 Q CA 1.480 57.296 55.803 0.021 0.000 1.121 329 Q CB -1.147 27.602 28.738 0.017 0.000 1.503 329 Q HN 0.849 nan 8.270 nan 0.000 0.544 330 M N -0.522 119.090 119.600 0.019 0.000 2.175 330 M HA -0.094 4.387 4.480 0.001 0.000 0.264 330 M C 1.198 177.507 176.300 0.016 0.000 1.063 330 M CA 1.460 56.770 55.300 0.016 0.000 1.119 330 M CB 0.170 32.779 32.600 0.016 0.000 1.377 330 M HN 0.241 nan 8.290 nan 0.000 0.415 331 L N -0.667 120.569 121.223 0.022 0.000 3.193 331 L HA 0.168 4.508 4.340 0.001 0.000 0.305 331 L C 1.117 178.004 176.870 0.028 0.000 1.299 331 L CA -0.351 54.502 54.840 0.022 0.000 0.904 331 L CB 0.314 42.389 42.059 0.027 0.000 1.331 331 L HN 0.049 nan 8.230 nan 0.000 0.588 332 E N 1.395 121.610 120.200 0.026 0.000 2.070 332 E HA -0.260 4.091 4.350 0.001 0.000 0.197 332 E C 2.173 178.794 176.600 0.035 0.000 1.004 332 E CA 2.214 58.633 56.400 0.031 0.000 0.805 332 E CB 0.168 29.883 29.700 0.025 0.000 0.744 332 E HN 0.510 nan 8.360 nan 0.000 0.451 333 S N -0.494 115.221 115.700 0.025 0.000 2.442 333 S HA -0.171 4.299 4.470 0.001 0.000 0.236 333 S C 1.870 176.492 174.600 0.035 0.000 1.007 333 S CA 1.286 59.500 58.200 0.024 0.000 0.965 333 S CB -0.380 62.825 63.200 0.008 0.000 0.773 333 S HN 0.318 nan 8.310 nan 0.000 0.504 334 M N 0.580 120.203 119.600 0.038 0.000 2.630 334 M HA 0.191 4.671 4.480 0.001 0.000 0.254 334 M C 1.569 177.960 176.300 0.151 0.000 1.092 334 M CA 0.563 55.898 55.300 0.060 0.000 1.087 334 M CB -0.601 32.024 32.600 0.042 0.000 1.453 334 M HN 0.344 nan 8.290 nan 0.000 0.509 335 I N 0.051 120.690 120.570 0.115 0.000 2.264 335 I HA -0.309 3.862 4.170 0.001 0.000 0.248 335 I C 2.110 178.321 176.117 0.156 0.000 1.111 335 I CA 1.394 62.764 61.300 0.117 0.000 1.382 335 I CB -0.206 37.837 38.000 0.072 0.000 1.060 335 I HN 0.178 nan 8.210 nan 0.000 0.418 336 K N -0.708 119.789 120.400 0.163 0.000 2.435 336 K HA 0.274 4.594 4.320 0.001 0.000 0.199 336 K C 0.429 177.189 176.600 0.267 0.000 1.153 336 K CA 0.085 56.483 56.287 0.185 0.000 0.974 336 K CB 0.458 33.018 32.500 0.100 0.000 0.997 336 K HN 0.271 nan 8.250 nan 0.000 0.547 337 K N 0.929 121.410 120.400 0.136 0.000 2.318 337 K HA 0.319 4.640 4.320 0.001 0.000 0.249 337 K C -2.442 173.854 176.600 -0.507 0.000 0.942 337 K CA -2.338 53.894 56.287 -0.093 0.000 0.808 337 K CB 2.033 34.495 32.500 -0.064 0.000 1.189 337 K HN -0.181 nan 8.250 nan 0.000 0.428 338 P HA -0.053 nan 4.420 nan 0.000 0.233 338 P C -0.327 176.737 177.300 -0.393 0.000 1.167 338 P CA 0.736 63.227 63.100 -1.013 0.000 0.770 338 P CB 0.526 31.746 31.700 -0.799 0.000 0.837 339 R N 0.203 120.555 120.500 -0.248 0.000 2.744 339 R HA 0.499 4.840 4.340 0.001 0.000 0.279 339 R C -2.652 173.596 176.300 -0.087 0.000 0.977 339 R CA -2.369 53.654 56.100 -0.128 0.000 0.906 339 R CB 1.136 31.379 30.300 -0.095 0.000 1.197 339 R HN 0.014 nan 8.270 nan 0.000 0.463 340 P HA 0.144 nan 4.420 nan 0.000 0.278 340 P C -0.153 177.131 177.300 -0.026 0.000 1.266 340 P CA -0.294 62.788 63.100 -0.030 0.000 0.807 340 P CB 0.541 32.232 31.700 -0.016 0.000 1.094 341 T N -1.110 113.434 114.554 -0.017 0.000 2.788 341 T HA 0.183 4.533 4.350 0.001 0.000 0.287 341 T C 1.473 176.164 174.700 -0.015 0.000 1.007 341 T CA -0.568 61.523 62.100 -0.016 0.000 1.005 341 T CB 0.384 69.246 68.868 -0.011 0.000 1.012 341 T HN 0.192 nan 8.240 nan 0.000 0.530 342 R N 0.872 121.362 120.500 -0.016 0.000 2.115 342 R HA 0.046 4.387 4.340 0.001 0.000 0.230 342 R C 2.644 178.935 176.300 -0.016 0.000 1.111 342 R CA 1.403 57.493 56.100 -0.017 0.000 0.976 342 R CB -1.782 28.507 30.300 -0.018 0.000 0.870 342 R HN 0.849 nan 8.270 nan 0.000 0.445 343 A N 1.302 124.113 122.820 -0.015 0.000 1.930 343 A HA -0.154 4.166 4.320 0.001 0.000 0.217 343 A C 2.039 179.616 177.584 -0.012 0.000 1.175 343 A CA 1.308 53.335 52.037 -0.016 0.000 0.627 343 A CB -0.274 18.717 19.000 -0.016 0.000 0.815 343 A HN 0.339 nan 8.150 nan 0.000 0.443 344 E N -0.606 119.589 120.200 -0.008 0.000 2.072 344 E HA -0.085 4.265 4.350 0.001 0.000 0.191 344 E C 2.147 178.745 176.600 -0.003 0.000 0.985 344 E CA 0.807 57.205 56.400 -0.003 0.000 0.801 344 E CB -0.373 29.327 29.700 -0.000 0.000 0.750 344 E HN 0.596 nan 8.360 nan 0.000 0.452 345 G N 0.563 109.358 108.800 -0.007 0.000 2.418 345 G HA2 -0.331 3.630 3.960 0.001 0.000 0.217 345 G HA3 -0.331 3.630 3.960 0.001 0.000 0.217 345 G C 1.636 176.532 174.900 -0.007 0.000 1.158 345 G CA 1.058 46.153 45.100 -0.007 0.000 0.771 345 G HN 0.318 nan 8.290 nan 0.000 0.545 346 S N 0.403 116.097 115.700 -0.010 0.000 2.368 346 S HA -0.162 4.309 4.470 0.001 0.000 0.224 346 S C 2.064 176.660 174.600 -0.007 0.000 1.029 346 S CA 1.956 60.149 58.200 -0.011 0.000 0.988 346 S CB -0.440 62.749 63.200 -0.018 0.000 0.838 346 S HN 0.382 nan 8.310 nan 0.000 0.462 347 D N 0.389 120.785 120.400 -0.006 0.000 2.097 347 D HA -0.091 4.549 4.640 0.001 0.000 0.195 347 D C 1.906 178.208 176.300 0.004 0.000 0.989 347 D CA 1.546 55.545 54.000 -0.001 0.000 0.827 347 D CB -0.343 40.457 40.800 0.001 0.000 0.966 347 D HN 0.313 nan 8.370 nan 0.000 0.456 348 V N 0.783 120.700 119.914 0.005 0.000 2.295 348 V HA -0.219 3.902 4.120 0.001 0.000 0.246 348 V C 2.611 178.710 176.094 0.009 0.000 1.049 348 V CA 1.863 64.168 62.300 0.008 0.000 1.024 348 V CB -1.062 30.767 31.823 0.009 0.000 0.648 348 V HN 0.344 nan 8.190 nan 0.000 0.447 349 A N 0.290 123.114 122.820 0.007 0.000 1.908 349 A HA -0.249 4.072 4.320 0.001 0.000 0.218 349 A C 2.090 179.685 177.584 0.019 0.000 1.181 349 A CA 2.123 54.166 52.037 0.011 0.000 0.627 349 A CB -0.690 18.314 19.000 0.006 0.000 0.818 349 A HN 0.600 nan 8.150 nan 0.000 0.445 350 N N 0.107 118.817 118.700 0.015 0.000 2.270 350 N HA -0.060 4.680 4.740 0.001 0.000 0.181 350 N C 1.899 177.420 175.510 0.020 0.000 1.016 350 N CA 1.234 54.296 53.050 0.021 0.000 0.870 350 N CB -0.384 38.110 38.487 0.012 0.000 0.979 350 N HN 0.482 nan 8.380 nan 0.000 0.431 351 A N 0.840 123.669 122.820 0.014 0.000 1.902 351 A HA -0.085 4.236 4.320 0.001 0.000 0.217 351 A C 2.507 180.098 177.584 0.011 0.000 1.181 351 A CA 1.213 53.255 52.037 0.009 0.000 0.623 351 A CB -0.684 18.318 19.000 0.004 0.000 0.818 351 A HN 0.093 nan 8.150 nan 0.000 0.443 352 V N 0.094 120.019 119.914 0.018 0.000 2.307 352 V HA -0.236 3.885 4.120 0.001 0.000 0.245 352 V C 2.540 178.652 176.094 0.031 0.000 1.045 352 V CA 1.898 64.213 62.300 0.025 0.000 1.024 352 V CB -0.765 31.075 31.823 0.028 0.000 0.651 352 V HN 0.569 nan 8.190 nan 0.000 0.449 353 L N -0.225 121.020 121.223 0.037 0.000 2.131 353 L HA -0.172 4.168 4.340 0.001 0.000 0.210 353 L C 2.311 179.200 176.870 0.031 0.000 1.092 353 L CA 1.320 56.189 54.840 0.049 0.000 0.759 353 L CB -0.750 41.354 42.059 0.075 0.000 0.903 353 L HN 0.332 nan 8.230 nan 0.000 0.435 354 D N 0.228 120.640 120.400 0.019 0.000 2.144 354 D HA -0.102 4.538 4.640 0.001 0.000 0.199 354 D C 1.661 177.960 176.300 -0.002 0.000 0.984 354 D CA 1.621 55.623 54.000 0.003 0.000 0.834 354 D CB 0.013 40.813 40.800 -0.000 0.000 0.955 354 D HN 0.438 nan 8.370 nan 0.000 0.465 355 G N -0.802 108.002 108.800 0.006 0.000 2.155 355 G HA2 -0.037 3.924 3.960 0.001 0.000 0.130 355 G HA3 -0.037 3.924 3.960 0.001 0.000 0.130 355 G C 0.302 175.205 174.900 0.004 0.000 1.027 355 G CA 0.074 45.180 45.100 0.010 0.000 0.705 355 G HN 0.531 nan 8.290 nan 0.000 0.496 356 A N 0.459 123.278 122.820 -0.002 0.000 2.546 356 A HA 0.469 4.790 4.320 0.001 0.000 0.243 356 A C 1.274 178.854 177.584 -0.005 0.000 1.063 356 A CA 0.988 53.017 52.037 -0.014 0.000 0.757 356 A CB 0.233 19.223 19.000 -0.017 0.000 0.991 356 A HN 0.296 nan 8.150 nan 0.000 0.503 357 D N 0.909 121.293 120.400 -0.026 0.000 2.123 357 D HA -0.031 4.609 4.640 0.001 0.000 0.200 357 D C 0.175 176.472 176.300 -0.006 0.000 0.976 357 D CA 1.312 55.300 54.000 -0.020 0.000 0.831 357 D CB 0.124 40.870 40.800 -0.089 0.000 0.974 357 D HN 0.555 nan 8.370 nan 0.000 0.469 358 C N 0.698 119.981 119.300 -0.028 0.000 2.802 358 C HA 0.617 5.077 4.460 0.001 0.000 0.307 358 C C 0.012 174.991 174.990 -0.019 0.000 1.222 358 C CA -1.046 57.964 59.018 -0.013 0.000 1.580 358 C CB 1.883 29.610 27.740 -0.022 0.000 2.119 358 C HN 0.176 nan 8.230 nan 0.000 0.479 359 I N 0.201 120.771 120.570 0.000 0.000 2.846 359 I HA 0.816 4.987 4.170 0.001 0.000 0.307 359 I C -0.843 175.279 176.117 0.009 0.000 1.053 359 I CA -0.859 60.441 61.300 -0.000 0.000 1.050 359 I CB 1.803 39.811 38.000 0.012 0.000 1.239 359 I HN 0.685 nan 8.210 nan 0.000 0.439 360 M N 4.279 123.884 119.600 0.009 0.000 2.518 360 M HA 0.620 5.101 4.480 0.001 0.000 0.300 360 M C -2.084 174.237 176.300 0.036 0.000 1.175 360 M CA -0.656 54.659 55.300 0.025 0.000 0.890 360 M CB 2.738 35.344 32.600 0.010 0.000 1.710 360 M HN 0.626 nan 8.290 nan 0.000 0.453 361 L N 2.063 123.318 121.223 0.053 0.000 2.362 361 L HA 0.555 4.896 4.340 0.001 0.000 0.275 361 L C -0.232 176.679 176.870 0.069 0.000 0.998 361 L CA -0.261 54.612 54.840 0.056 0.000 0.820 361 L CB 2.183 44.275 42.059 0.056 0.000 1.270 361 L HN 0.786 nan 8.230 nan 0.000 0.415 362 S N 1.017 116.757 115.700 0.067 0.000 3.200 362 S HA 0.179 4.649 4.470 0.001 0.000 0.173 362 S C 1.593 176.238 174.600 0.074 0.000 0.768 362 S CA 0.386 58.632 58.200 0.077 0.000 1.018 362 S CB -0.194 63.049 63.200 0.072 0.000 0.769 362 S HN 0.871 nan 8.310 nan 0.000 0.736 363 G N 1.247 110.087 108.800 0.066 0.000 2.475 363 G HA2 -0.218 3.743 3.960 0.001 0.000 0.220 363 G HA3 -0.218 3.743 3.960 0.001 0.000 0.220 363 G C 1.021 175.958 174.900 0.061 0.000 1.125 363 G CA 1.279 46.415 45.100 0.061 0.000 0.755 363 G HN 0.550 nan 8.290 nan 0.000 0.565 364 E N 0.052 120.290 120.200 0.063 0.000 2.130 364 E HA -0.128 4.222 4.350 0.001 0.000 0.196 364 E C 2.754 179.397 176.600 0.072 0.000 0.998 364 E CA 1.918 58.361 56.400 0.071 0.000 0.806 364 E CB -0.266 29.473 29.700 0.066 0.000 0.738 364 E HN 0.627 nan 8.360 nan 0.000 0.459 365 T N -3.006 111.588 114.554 0.067 0.000 3.015 365 T HA 0.387 4.737 4.350 0.001 0.000 0.250 365 T C 1.915 176.652 174.700 0.062 0.000 1.057 365 T CA 0.239 62.377 62.100 0.063 0.000 1.066 365 T CB 0.217 69.122 68.868 0.062 0.000 0.959 365 T HN 0.143 nan 8.240 nan 0.000 0.488 366 A N 3.117 125.978 122.820 0.068 0.000 1.872 366 A HA 0.125 4.446 4.320 0.001 0.000 0.214 366 A C 2.207 179.826 177.584 0.059 0.000 1.187 366 A CA 1.476 53.557 52.037 0.075 0.000 0.614 366 A CB -0.277 18.776 19.000 0.088 0.000 0.826 366 A HN 0.692 nan 8.150 nan 0.000 0.442 367 K N -1.791 118.637 120.400 0.047 0.000 2.521 367 K HA 0.271 4.591 4.320 0.001 0.000 0.213 367 K C 0.804 177.415 176.600 0.017 0.000 1.223 367 K CA 0.370 56.675 56.287 0.030 0.000 1.013 367 K CB 0.025 32.540 32.500 0.024 0.000 1.017 367 K HN 0.250 nan 8.250 nan 0.000 0.591 368 G N 1.041 109.858 108.800 0.028 0.000 2.651 368 G HA2 0.060 4.021 3.960 0.001 0.000 0.260 368 G HA3 0.060 4.021 3.960 0.001 0.000 0.260 368 G C -0.241 174.643 174.900 -0.026 0.000 1.216 368 G CA -0.327 44.790 45.100 0.028 0.000 0.913 368 G HN 0.105 nan 8.290 nan 0.000 0.535 369 D N -1.120 119.234 120.400 -0.077 0.000 2.355 369 D HA 0.030 4.671 4.640 0.001 0.000 0.218 369 D C -0.175 175.767 176.300 -0.598 0.000 1.004 369 D CA 0.998 54.789 54.000 -0.348 0.000 0.880 369 D CB 0.202 40.715 40.800 -0.480 0.000 0.911 369 D HN 0.379 nan 8.370 nan 0.000 0.528 370 Y N -0.604 119.708 120.300 0.020 0.000 2.501 370 Y HA 0.206 4.756 4.550 0.001 0.000 0.331 370 Y C -1.708 174.206 175.900 0.023 0.000 0.950 370 Y CA -1.608 56.505 58.100 0.021 0.000 1.120 370 Y CB 1.235 39.707 38.460 0.019 0.000 1.154 370 Y HN -0.102 nan 8.280 nan 0.000 0.630 371 P HA -0.162 nan 4.420 nan 0.000 0.216 371 P C 1.460 178.810 177.300 0.084 0.000 1.153 371 P CA 1.459 64.609 63.100 0.083 0.000 0.848 371 P CB 0.650 32.380 31.700 0.050 0.000 0.787 372 L N -0.600 120.673 121.223 0.083 0.000 2.056 372 L HA -0.142 4.198 4.340 0.001 0.000 0.207 372 L C 2.583 179.502 176.870 0.081 0.000 1.078 372 L CA 1.591 56.474 54.840 0.071 0.000 0.749 372 L CB -1.079 41.019 42.059 0.064 0.000 0.901 372 L HN -0.065 nan 8.230 nan 0.000 0.433 373 E N 0.499 120.768 120.200 0.115 0.000 2.110 373 E HA -0.182 4.168 4.350 0.001 0.000 0.193 373 E C 2.262 178.905 176.600 0.071 0.000 0.988 373 E CA 1.376 57.831 56.400 0.091 0.000 0.804 373 E CB -0.292 29.464 29.700 0.094 0.000 0.745 373 E HN 0.445 nan 8.360 nan 0.000 0.458 374 A N 0.368 123.240 122.820 0.086 0.000 1.873 374 A HA -0.146 4.174 4.320 0.001 0.000 0.215 374 A C 2.463 180.085 177.584 0.062 0.000 1.186 374 A CA 1.396 53.474 52.037 0.068 0.000 0.616 374 A CB -0.718 18.329 19.000 0.078 0.000 0.823 374 A HN 0.149 nan 8.150 nan 0.000 0.442 375 V N 0.049 120.001 119.914 0.062 0.000 2.295 375 V HA -0.286 3.834 4.120 0.001 0.000 0.246 375 V C 2.633 178.772 176.094 0.075 0.000 1.049 375 V CA 2.329 64.662 62.300 0.056 0.000 1.024 375 V CB -0.871 30.974 31.823 0.036 0.000 0.648 375 V HN 0.528 nan 8.190 nan 0.000 0.447 376 R N -0.828 119.715 120.500 0.072 0.000 2.096 376 R HA -0.179 4.162 4.340 0.001 0.000 0.235 376 R C 2.241 178.614 176.300 0.121 0.000 1.127 376 R CA 1.837 57.996 56.100 0.099 0.000 0.968 376 R CB -0.441 29.903 30.300 0.073 0.000 0.861 376 R HN 0.395 nan 8.270 nan 0.000 0.440 377 M N 0.967 120.613 119.600 0.076 0.000 2.132 377 M HA -0.144 4.337 4.480 0.001 0.000 0.263 377 M C 1.885 178.217 176.300 0.053 0.000 1.065 377 M CA 1.735 57.066 55.300 0.052 0.000 1.122 377 M CB -0.088 32.530 32.600 0.029 0.000 1.365 377 M HN 0.042 nan 8.290 nan 0.000 0.411 378 Q N -1.455 118.385 119.800 0.066 0.000 2.084 378 Q HA -0.250 4.091 4.340 0.001 0.000 0.202 378 Q C 2.126 178.173 176.000 0.078 0.000 0.978 378 Q CA 1.958 57.798 55.803 0.060 0.000 0.844 378 Q CB -0.486 28.288 28.738 0.060 0.000 0.898 378 Q HN 0.730 nan 8.270 nan 0.000 0.426 379 H N 0.736 119.818 119.070 0.020 0.000 2.290 379 H HA -0.112 4.445 4.556 0.001 0.000 0.298 379 H C 1.873 177.215 175.328 0.023 0.000 1.087 379 H CA 1.737 57.799 56.048 0.023 0.000 1.291 379 H CB -0.262 29.514 29.762 0.023 0.000 1.369 379 H HN 0.106 nan 8.280 nan 0.000 0.492 380 L N -0.369 120.802 121.223 -0.087 0.000 2.017 380 L HA -0.145 4.196 4.340 0.001 0.000 0.208 380 L C 2.632 179.436 176.870 -0.110 0.000 1.073 380 L CA 1.457 56.214 54.840 -0.138 0.000 0.745 380 L CB -0.398 41.652 42.059 -0.015 0.000 0.894 380 L HN 0.337 nan 8.230 nan 0.000 0.432 381 I N -0.114 120.425 120.570 -0.051 0.000 2.179 381 I HA -0.282 3.889 4.170 0.001 0.000 0.242 381 I C 2.841 178.935 176.117 -0.039 0.000 1.088 381 I CA 1.209 62.489 61.300 -0.033 0.000 1.357 381 I CB -0.554 37.440 38.000 -0.010 0.000 1.051 381 I HN 0.194 nan 8.210 nan 0.000 0.409 382 A N 0.744 123.539 122.820 -0.040 0.000 1.908 382 A HA -0.272 4.049 4.320 0.001 0.000 0.218 382 A C 2.440 179.997 177.584 -0.045 0.000 1.181 382 A CA 2.030 54.053 52.037 -0.025 0.000 0.627 382 A CB -0.701 18.298 19.000 -0.001 0.000 0.818 382 A HN 0.364 nan 8.150 nan 0.000 0.445 383 R N -0.570 119.859 120.500 -0.120 0.000 2.075 383 R HA -0.119 4.222 4.340 0.001 0.000 0.232 383 R C 2.042 178.307 176.300 -0.058 0.000 1.126 383 R CA 1.454 57.482 56.100 -0.120 0.000 0.963 383 R CB -0.170 29.981 30.300 -0.248 0.000 0.858 383 R HN 0.525 nan 8.270 nan 0.000 0.435 384 E N 0.293 120.459 120.200 -0.056 0.000 2.051 384 E HA -0.184 4.167 4.350 0.001 0.000 0.192 384 E C 1.918 178.521 176.600 0.005 0.000 0.991 384 E CA 1.374 57.760 56.400 -0.023 0.000 0.799 384 E CB -0.273 29.412 29.700 -0.026 0.000 0.748 384 E HN 0.456 nan 8.360 nan 0.000 0.449 385 A N 1.404 124.228 122.820 0.006 0.000 1.933 385 A HA -0.217 4.103 4.320 0.001 0.000 0.218 385 A C 2.029 179.645 177.584 0.053 0.000 1.175 385 A CA 1.632 53.686 52.037 0.028 0.000 0.628 385 A CB -0.476 18.538 19.000 0.023 0.000 0.814 385 A HN 0.206 nan 8.150 nan 0.000 0.444 386 E N -0.247 119.985 120.200 0.053 0.000 2.110 386 E HA -0.087 4.264 4.350 0.001 0.000 0.193 386 E C 2.227 178.917 176.600 0.150 0.000 0.988 386 E CA 1.003 57.458 56.400 0.092 0.000 0.804 386 E CB -0.273 29.474 29.700 0.078 0.000 0.745 386 E HN 0.630 nan 8.360 nan 0.000 0.458 387 A N 1.100 123.992 122.820 0.120 0.000 1.969 387 A HA -0.010 4.311 4.320 0.001 0.000 0.218 387 A C 2.252 179.947 177.584 0.185 0.000 1.169 387 A CA 1.381 53.511 52.037 0.154 0.000 0.635 387 A CB -0.360 18.692 19.000 0.086 0.000 0.810 387 A HN 0.268 nan 8.150 nan 0.000 0.445 388 A N -0.650 122.249 122.820 0.132 0.000 2.235 388 A HA 0.340 4.661 4.320 0.001 0.000 0.208 388 A C 0.835 178.583 177.584 0.274 0.000 1.172 388 A CA -0.218 51.906 52.037 0.144 0.000 0.786 388 A CB -0.513 18.521 19.000 0.056 0.000 0.804 388 A HN 0.471 nan 8.150 nan 0.000 0.479 389 I N -0.348 120.313 120.570 0.151 0.000 2.752 389 I HA -0.091 4.080 4.170 0.001 0.000 0.287 389 I C 0.315 176.406 176.117 -0.044 0.000 1.188 389 I CA 0.023 61.311 61.300 -0.019 0.000 1.427 389 I CB 0.381 38.182 38.000 -0.332 0.000 1.365 389 I HN 0.329 nan 8.210 nan 0.000 0.585 390 Y N 6.328 126.468 120.300 -0.267 0.000 2.724 390 Y HA 0.174 4.724 4.550 0.000 0.000 0.332 390 Y C 1.030 176.789 175.900 -0.234 0.000 1.276 390 Y CA -0.716 57.103 58.100 -0.468 0.000 1.597 390 Y CB -0.583 37.593 38.460 -0.473 0.000 1.584 390 Y HN 0.498 nan 8.280 nan 0.000 0.478 391 H N 1.621 120.637 119.070 -0.092 0.000 2.421 391 H HA -0.162 4.394 4.556 0.001 0.000 0.298 391 H C 1.938 177.033 175.328 -0.387 0.000 1.087 391 H CA 1.701 57.664 56.048 -0.140 0.000 1.330 391 H CB 0.137 29.879 29.762 -0.034 0.000 1.388 391 H HN 0.566 nan 8.280 nan 0.000 0.526 392 L N 0.804 121.757 121.223 -0.450 0.000 1.978 392 L HA -0.287 4.053 4.340 0.001 0.000 0.218 392 L C 2.431 179.008 176.870 -0.488 0.000 1.075 392 L CA 2.013 56.539 54.840 -0.522 0.000 0.767 392 L CB -0.614 41.092 42.059 -0.588 0.000 0.890 392 L HN 0.327 nan 8.230 nan 0.000 0.434 393 Q N -1.591 117.757 119.800 -0.754 0.000 2.123 393 Q HA -0.188 4.153 4.340 0.001 0.000 0.199 393 Q C 2.213 178.097 176.000 -0.194 0.000 0.966 393 Q CA 1.438 57.007 55.803 -0.391 0.000 0.845 393 Q CB -0.170 28.399 28.738 -0.282 0.000 0.907 393 Q HN 0.480 nan 8.270 nan 0.000 0.439 394 L N 0.233 121.361 121.223 -0.158 0.000 1.994 394 L HA -0.135 4.206 4.340 0.001 0.000 0.208 394 L C 2.029 178.941 176.870 0.070 0.000 1.071 394 L CA 1.885 56.711 54.840 -0.023 0.000 0.745 394 L CB -0.942 41.121 42.059 0.007 0.000 0.892 394 L HN 0.384 nan 8.230 nan 0.000 0.431 395 F N 0.282 120.201 119.950 -0.050 0.000 2.134 395 F HA -0.225 4.302 4.527 0.001 0.000 0.299 395 F C 2.383 178.179 175.800 -0.007 0.000 1.097 395 F CA 1.820 59.836 58.000 0.026 0.000 1.264 395 F CB -0.080 38.881 39.000 -0.065 0.000 1.001 395 F HN 0.231 nan 8.300 nan 0.000 0.479 396 E N 0.130 120.232 120.200 -0.163 0.000 2.070 396 E HA -0.273 4.077 4.350 0.001 0.000 0.197 396 E C 2.080 178.561 176.600 -0.199 0.000 1.004 396 E CA 1.953 58.218 56.400 -0.226 0.000 0.805 396 E CB -0.205 29.408 29.700 -0.146 0.000 0.744 396 E HN 0.617 nan 8.360 nan 0.000 0.451 397 E N 0.266 120.391 120.200 -0.126 0.000 2.107 397 E HA -0.123 4.227 4.350 0.001 0.000 0.191 397 E C 2.294 178.853 176.600 -0.068 0.000 0.982 397 E CA 0.443 56.791 56.400 -0.086 0.000 0.809 397 E CB -0.003 29.661 29.700 -0.060 0.000 0.756 397 E HN 0.240 nan 8.360 nan 0.000 0.459 398 L N 0.714 121.907 121.223 -0.049 0.000 2.046 398 L HA -0.200 4.140 4.340 0.001 0.000 0.208 398 L C 2.576 179.473 176.870 0.045 0.000 1.077 398 L CA 1.299 56.149 54.840 0.017 0.000 0.747 398 L CB -0.321 41.809 42.059 0.119 0.000 0.896 398 L HN 0.053 nan 8.230 nan 0.000 0.432 399 R N -0.493 119.946 120.500 -0.101 0.000 2.073 399 R HA -0.161 4.179 4.340 0.001 0.000 0.234 399 R C 2.433 178.689 176.300 -0.074 0.000 1.134 399 R CA 1.301 57.319 56.100 -0.138 0.000 0.952 399 R CB -0.356 29.696 30.300 -0.414 0.000 0.850 399 R HN 0.235 nan 8.270 nan 0.000 0.433 400 R N 0.657 121.099 120.500 -0.095 0.000 2.096 400 R HA -0.066 4.275 4.340 0.001 0.000 0.235 400 R C 1.767 178.049 176.300 -0.030 0.000 1.127 400 R CA 1.198 57.261 56.100 -0.062 0.000 0.968 400 R CB -0.057 30.203 30.300 -0.067 0.000 0.861 400 R HN 0.214 nan 8.270 nan 0.000 0.440 401 L N -0.152 121.060 121.223 -0.019 0.000 2.592 401 L HA 0.248 4.588 4.340 0.001 0.000 0.227 401 L C 0.462 177.342 176.870 0.016 0.000 1.127 401 L CA -0.489 54.347 54.840 -0.006 0.000 0.884 401 L CB 0.374 42.425 42.059 -0.012 0.000 1.065 401 L HN 0.031 nan 8.230 nan 0.000 0.457 402 A N 1.386 124.233 122.820 0.045 0.000 2.347 402 A HA 0.482 4.802 4.320 0.001 0.000 0.287 402 A C -2.090 175.533 177.584 0.064 0.000 1.199 402 A CA -1.127 50.966 52.037 0.094 0.000 0.851 402 A CB -0.531 18.611 19.000 0.235 0.000 1.118 402 A HN -0.029 nan 8.150 nan 0.000 0.525 403 P HA 0.255 nan 4.420 nan 0.000 0.266 403 P C 0.228 177.553 177.300 0.042 0.000 1.195 403 P CA 0.143 63.265 63.100 0.037 0.000 0.768 403 P CB 0.282 32.001 31.700 0.032 0.000 0.838 404 I N 1.921 122.507 120.570 0.026 0.000 2.505 404 I HA 0.393 4.563 4.170 0.001 0.000 0.287 404 I C 0.998 177.131 176.117 0.026 0.000 1.104 404 I CA 0.096 61.410 61.300 0.023 0.000 1.387 404 I CB -0.824 37.184 38.000 0.013 0.000 1.404 404 I HN 0.535 nan 8.210 nan 0.000 0.528 405 T N 1.405 115.978 114.554 0.032 0.000 2.916 405 T HA 0.717 5.067 4.350 0.001 0.000 0.292 405 T C 0.954 175.672 174.700 0.030 0.000 1.064 405 T CA 0.176 62.294 62.100 0.031 0.000 1.011 405 T CB 1.190 70.080 68.868 0.038 0.000 1.152 405 T HN 1.589 nan 8.240 nan 0.000 0.510 406 S N -0.480 115.236 115.700 0.027 0.000 2.603 406 S HA 0.239 4.709 4.470 0.001 0.000 0.220 406 S C 0.514 175.135 174.600 0.035 0.000 0.967 406 S CA -0.141 58.076 58.200 0.027 0.000 0.920 406 S CB -0.714 62.500 63.200 0.024 0.000 0.773 406 S HN 0.870 nan 8.310 nan 0.000 0.529 407 D N 1.548 121.971 120.400 0.039 0.000 2.358 407 D HA 0.276 4.916 4.640 0.001 0.000 0.258 407 D C -1.552 174.781 176.300 0.054 0.000 1.223 407 D CA -1.646 52.380 54.000 0.043 0.000 0.886 407 D CB 1.322 42.147 40.800 0.042 0.000 1.120 407 D HN 0.001 nan 8.370 nan 0.000 0.482 408 P HA -0.103 nan 4.420 nan 0.000 0.217 408 P C 1.120 178.469 177.300 0.083 0.000 1.150 408 P CA 0.964 64.113 63.100 0.081 0.000 0.832 408 P CB 0.207 31.981 31.700 0.123 0.000 0.787 409 T N -0.298 114.302 114.554 0.076 0.000 2.777 409 T HA -0.138 4.212 4.350 0.001 0.000 0.266 409 T C 1.631 176.378 174.700 0.077 0.000 1.040 409 T CA 1.270 63.412 62.100 0.070 0.000 1.141 409 T CB -0.642 68.250 68.868 0.041 0.000 0.868 409 T HN 0.312 nan 8.240 nan 0.000 0.444 410 E N 1.131 121.381 120.200 0.084 0.000 2.058 410 E HA -0.099 4.251 4.350 0.001 0.000 0.194 410 E C 2.587 179.240 176.600 0.088 0.000 0.997 410 E CA 1.084 57.557 56.400 0.121 0.000 0.801 410 E CB -0.235 29.541 29.700 0.125 0.000 0.746 410 E HN 0.488 nan 8.360 nan 0.000 0.450 411 A N 0.832 123.687 122.820 0.058 0.000 1.898 411 A HA -0.162 4.158 4.320 0.001 0.000 0.216 411 A C 2.374 179.970 177.584 0.021 0.000 1.181 411 A CA 1.832 53.885 52.037 0.027 0.000 0.620 411 A CB -0.817 18.200 19.000 0.029 0.000 0.819 411 A HN 0.185 nan 8.150 nan 0.000 0.442 412 T N 0.381 114.961 114.554 0.043 0.000 2.746 412 T HA -0.019 4.331 4.350 0.001 0.000 0.267 412 T C 2.196 176.916 174.700 0.034 0.000 1.039 412 T CA 1.550 63.676 62.100 0.044 0.000 1.142 412 T CB -0.414 68.494 68.868 0.067 0.000 0.866 412 T HN 0.588 nan 8.240 nan 0.000 0.444 413 A N 0.786 123.638 122.820 0.052 0.000 1.873 413 A HA -0.004 4.317 4.320 0.001 0.000 0.215 413 A C 2.573 180.166 177.584 0.015 0.000 1.186 413 A CA 1.271 53.351 52.037 0.072 0.000 0.616 413 A CB -1.167 17.927 19.000 0.156 0.000 0.823 413 A HN 0.318 nan 8.150 nan 0.000 0.442 414 V N 0.189 120.041 119.914 -0.104 0.000 2.343 414 V HA -0.156 3.965 4.120 0.001 0.000 0.247 414 V C 2.536 178.591 176.094 -0.065 0.000 1.051 414 V CA 2.431 64.553 62.300 -0.297 0.000 1.036 414 V CB -1.009 30.506 31.823 -0.513 0.000 0.654 414 V HN 0.584 nan 8.190 nan 0.000 0.451 415 G N -0.827 107.954 108.800 -0.031 0.000 2.440 415 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 415 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 415 G C 1.766 176.656 174.900 -0.017 0.000 1.154 415 G CA 1.120 46.218 45.100 -0.003 0.000 0.767 415 G HN 0.725 nan 8.290 nan 0.000 0.552 416 A N -0.002 122.803 122.820 -0.026 0.000 1.902 416 A HA 0.093 4.414 4.320 0.001 0.000 0.217 416 A C 2.619 180.136 177.584 -0.112 0.000 1.181 416 A CA 1.874 53.881 52.037 -0.050 0.000 0.623 416 A CB -0.604 18.379 19.000 -0.028 0.000 0.818 416 A HN 0.273 nan 8.150 nan 0.000 0.443 417 V N 0.119 119.963 119.914 -0.116 0.000 2.358 417 V HA -0.234 3.887 4.120 0.001 0.000 0.246 417 V C 2.596 178.458 176.094 -0.388 0.000 1.047 417 V CA 2.388 64.528 62.300 -0.267 0.000 1.035 417 V CB -0.752 30.997 31.823 -0.124 0.000 0.658 417 V HN 0.745 nan 8.190 nan 0.000 0.452 418 E N 1.190 121.277 120.200 -0.189 0.000 2.058 418 E HA -0.210 4.141 4.350 0.001 0.000 0.194 418 E C 2.102 178.671 176.600 -0.050 0.000 0.997 418 E CA 1.885 58.243 56.400 -0.070 0.000 0.801 418 E CB -0.547 29.244 29.700 0.153 0.000 0.746 418 E HN 0.492 nan 8.360 nan 0.000 0.450 419 A N 0.348 123.129 122.820 -0.066 0.000 1.933 419 A HA -0.199 4.122 4.320 0.001 0.000 0.218 419 A C 2.429 179.947 177.584 -0.111 0.000 1.175 419 A CA 2.381 54.380 52.037 -0.063 0.000 0.628 419 A CB -1.114 17.852 19.000 -0.056 0.000 0.814 419 A HN 0.464 nan 8.150 nan 0.000 0.444 420 S N -0.973 114.600 115.700 -0.212 0.000 2.382 420 S HA -0.146 4.324 4.470 0.001 0.000 0.228 420 S C 1.719 176.134 174.600 -0.308 0.000 1.027 420 S CA 1.513 59.535 58.200 -0.297 0.000 0.991 420 S CB -0.727 62.217 63.200 -0.426 0.000 0.823 420 S HN 0.343 nan 8.310 nan 0.000 0.469 421 F N 2.316 122.136 119.950 -0.217 0.000 2.146 421 F HA 0.213 4.741 4.527 0.002 0.000 0.298 421 F C 2.554 178.282 175.800 -0.120 0.000 1.096 421 F CA 1.173 59.053 58.000 -0.200 0.000 1.275 421 F CB -0.724 38.110 39.000 -0.277 0.000 1.008 421 F HN 0.206 nan 8.300 nan 0.000 0.480 422 K N 0.755 121.203 120.400 0.081 0.000 2.152 422 K HA -0.168 4.152 4.320 0.001 0.000 0.206 422 K C 1.676 178.286 176.600 0.016 0.000 1.048 422 K CA 1.811 58.124 56.287 0.044 0.000 0.933 422 K CB -0.586 31.930 32.500 0.026 0.000 0.721 422 K HN 0.424 nan 8.250 nan 0.000 0.447 423 C N -2.225 117.068 119.300 -0.013 0.000 3.000 423 C HA 0.438 4.899 4.460 0.001 0.000 0.286 423 C C 0.639 175.609 174.990 -0.032 0.000 1.343 423 C CA -0.817 58.187 59.018 -0.023 0.000 1.742 423 C CB -1.849 25.867 27.740 -0.038 0.000 2.200 423 C HN 0.498 nan 8.230 nan 0.000 0.621 424 C N 3.846 123.129 119.300 -0.029 0.000 3.563 424 C HA -0.094 4.366 4.460 0.001 0.000 0.284 424 C C 1.054 176.005 174.990 -0.066 0.000 1.356 424 C CA 0.866 59.862 59.018 -0.038 0.000 2.166 424 C CB -2.997 24.743 27.740 -0.001 0.000 1.399 424 C HN 1.094 nan 8.230 nan 0.000 0.583 425 S N 1.203 116.837 115.700 -0.109 0.000 2.579 425 S HA 0.455 4.926 4.470 0.001 0.000 0.275 425 S C 1.423 175.970 174.600 -0.088 0.000 1.345 425 S CA 0.310 58.442 58.200 -0.113 0.000 1.031 425 S CB 1.628 64.742 63.200 -0.144 0.000 0.892 425 S HN 1.393 nan 8.310 nan 0.000 0.529 426 G N 0.743 109.500 108.800 -0.071 0.000 2.484 426 G HA2 0.444 4.405 3.960 0.001 0.000 0.218 426 G HA3 0.444 4.405 3.960 0.001 0.000 0.218 426 G C 0.368 175.349 174.900 0.135 0.000 1.130 426 G CA 0.354 45.492 45.100 0.063 0.000 0.784 426 G HN 1.475 nan 8.290 nan 0.000 0.543 427 A N -1.117 121.704 122.820 0.002 0.000 2.583 427 A HA 0.604 4.925 4.320 0.001 0.000 0.292 427 A C -1.672 175.885 177.584 -0.044 0.000 1.045 427 A CA -0.728 51.337 52.037 0.046 0.000 0.672 427 A CB 0.445 19.624 19.000 0.298 0.000 1.283 427 A HN 0.136 nan 8.150 nan 0.000 0.419 428 I N 1.612 122.167 120.570 -0.025 0.000 2.355 428 I HA 0.376 4.547 4.170 0.001 0.000 0.288 428 I C -0.695 175.435 176.117 0.022 0.000 0.999 428 I CA -0.265 61.015 61.300 -0.032 0.000 1.163 428 I CB 1.296 39.264 38.000 -0.053 0.000 1.316 428 I HN 0.472 nan 8.210 nan 0.000 0.454 429 I N 7.101 127.682 120.570 0.019 0.000 2.342 429 I HA 0.349 4.519 4.170 0.001 0.000 0.291 429 I C -0.525 175.613 176.117 0.035 0.000 1.010 429 I CA -0.544 60.786 61.300 0.050 0.000 1.308 429 I CB 1.423 39.450 38.000 0.044 0.000 1.400 429 I HN 0.209 nan 8.210 nan 0.000 0.488 430 V N 7.308 127.250 119.914 0.047 0.000 2.569 430 V HA 0.351 4.471 4.120 0.001 0.000 0.301 430 V C -0.061 176.055 176.094 0.036 0.000 1.044 430 V CA -0.662 61.657 62.300 0.032 0.000 0.874 430 V CB 1.820 33.654 31.823 0.017 0.000 1.002 430 V HN 0.464 nan 8.190 nan 0.000 0.424 431 L N 3.741 124.984 121.223 0.034 0.000 2.331 431 L HA 0.674 5.015 4.340 0.001 0.000 0.278 431 L C 0.270 177.154 176.870 0.023 0.000 1.106 431 L CA 0.341 55.204 54.840 0.038 0.000 0.824 431 L CB 1.402 43.483 42.059 0.036 0.000 1.142 431 L HN 0.752 nan 8.230 nan 0.000 0.443 432 T N 1.714 116.276 114.554 0.013 0.000 3.041 432 T HA 0.269 4.620 4.350 0.001 0.000 0.321 432 T C 0.326 175.017 174.700 -0.014 0.000 1.184 432 T CA -0.619 61.468 62.100 -0.022 0.000 1.050 432 T CB 1.663 70.479 68.868 -0.087 0.000 1.159 432 T HN 0.679 nan 8.240 nan 0.000 0.469 433 K N 1.351 121.741 120.400 -0.016 0.000 2.078 433 K HA 0.065 4.385 4.320 0.001 0.000 0.203 433 K C 2.139 178.722 176.600 -0.028 0.000 1.043 433 K CA 1.201 57.483 56.287 -0.007 0.000 0.960 433 K CB 0.001 32.503 32.500 0.004 0.000 0.761 433 K HN 0.614 nan 8.250 nan 0.000 0.448 434 S N -0.931 114.734 115.700 -0.059 0.000 2.503 434 S HA 0.187 4.658 4.470 0.001 0.000 0.215 434 S C 1.495 176.024 174.600 -0.119 0.000 1.003 434 S CA 0.452 58.617 58.200 -0.060 0.000 0.910 434 S CB 0.733 63.900 63.200 -0.056 0.000 0.790 434 S HN 0.472 nan 8.310 nan 0.000 0.514 435 G N 1.086 109.746 108.800 -0.234 0.000 2.258 435 G HA2 -0.349 3.612 3.960 0.001 0.000 0.233 435 G HA3 -0.349 3.612 3.960 0.001 0.000 0.233 435 G C 1.056 175.314 174.900 -1.069 0.000 1.006 435 G CA 0.564 45.349 45.100 -0.525 0.000 0.620 435 G HN 0.542 nan 8.290 nan 0.000 0.511 436 R N 1.054 121.162 120.500 -0.653 0.000 2.091 436 R HA -0.015 4.326 4.340 0.001 0.000 0.238 436 R C 2.988 179.094 176.300 -0.324 0.000 1.136 436 R CA 2.831 58.655 56.100 -0.461 0.000 0.959 436 R CB -1.226 28.980 30.300 -0.157 0.000 0.856 436 R HN 0.733 nan 8.270 nan 0.000 0.437 437 S N -0.098 115.464 115.700 -0.229 0.000 2.382 437 S HA -0.043 4.428 4.470 0.001 0.000 0.228 437 S C 2.183 176.720 174.600 -0.106 0.000 1.027 437 S CA 1.161 59.294 58.200 -0.110 0.000 0.991 437 S CB -0.503 62.662 63.200 -0.058 0.000 0.823 437 S HN 0.732 nan 8.310 nan 0.000 0.469 438 A N 1.189 123.895 122.820 -0.190 0.000 1.968 438 A HA -0.083 4.238 4.320 0.001 0.000 0.217 438 A C 1.648 179.179 177.584 -0.089 0.000 1.169 438 A CA 1.150 53.117 52.037 -0.116 0.000 0.638 438 A CB -0.808 18.127 19.000 -0.108 0.000 0.812 438 A HN 0.683 nan 8.150 nan 0.000 0.446 439 H N -0.665 118.232 119.070 -0.289 0.000 2.387 439 H HA -0.128 4.428 4.556 0.001 0.000 0.299 439 H C 2.245 177.493 175.328 -0.134 0.000 1.090 439 H CA 1.343 57.121 56.048 -0.450 0.000 1.332 439 H CB 0.005 29.376 29.762 -0.652 0.000 1.386 439 H HN 0.586 nan 8.280 nan 0.000 0.516 440 Q N 0.406 120.239 119.800 0.056 0.000 2.167 440 Q HA -0.094 4.247 4.340 0.001 0.000 0.202 440 Q C 2.528 178.648 176.000 0.200 0.000 0.970 440 Q CA 1.160 57.031 55.803 0.113 0.000 0.855 440 Q CB 0.188 28.990 28.738 0.107 0.000 0.911 440 Q HN 0.288 nan 8.270 nan 0.000 0.438 441 V N 0.849 120.855 119.914 0.153 0.000 2.307 441 V HA -0.247 3.873 4.120 0.001 0.000 0.245 441 V C 2.272 178.484 176.094 0.197 0.000 1.045 441 V CA 1.756 64.169 62.300 0.189 0.000 1.024 441 V CB -0.931 30.948 31.823 0.093 0.000 0.651 441 V HN 0.381 nan 8.190 nan 0.000 0.449 442 A N 1.430 124.334 122.820 0.140 0.000 1.940 442 A HA -0.265 4.056 4.320 0.001 0.000 0.219 442 A C 2.343 180.013 177.584 0.145 0.000 1.176 442 A CA 2.108 54.238 52.037 0.156 0.000 0.631 442 A CB -0.611 18.506 19.000 0.195 0.000 0.814 442 A HN 0.705 nan 8.150 nan 0.000 0.446 443 R N -2.101 118.444 120.500 0.074 0.000 2.193 443 R HA -0.135 4.206 4.340 0.001 0.000 0.229 443 R C 1.060 177.254 176.300 -0.177 0.000 1.110 443 R CA 1.727 57.780 56.100 -0.079 0.000 0.988 443 R CB -0.576 29.599 30.300 -0.208 0.000 0.871 443 R HN 0.501 nan 8.270 nan 0.000 0.458 444 Y N 0.805 121.223 120.300 0.197 0.000 2.490 444 Y HA 0.269 4.820 4.550 0.001 0.000 0.281 444 Y C 0.132 176.239 175.900 0.346 0.000 1.174 444 Y CA -0.291 57.988 58.100 0.299 0.000 1.295 444 Y CB 0.389 39.075 38.460 0.377 0.000 1.062 444 Y HN -0.063 nan 8.280 nan 0.000 0.522 445 R N -0.490 120.204 120.500 0.323 0.000 3.209 445 R HA -0.142 4.199 4.340 0.001 0.000 0.252 445 R C -2.938 173.567 176.300 0.342 0.000 0.958 445 R CA 0.212 56.496 56.100 0.308 0.000 0.651 445 R CB -2.257 28.228 30.300 0.308 0.000 1.142 445 R HN 0.281 nan 8.270 nan 0.000 0.441 446 P HA 0.028 nan 4.420 nan 0.000 0.272 446 P C 0.747 177.938 177.300 -0.183 0.000 1.223 446 P CA -0.214 62.735 63.100 -0.252 0.000 0.784 446 P CB 0.617 32.122 31.700 -0.324 0.000 0.923 447 R N 2.199 122.408 120.500 -0.484 0.000 2.073 447 R HA 0.007 4.348 4.340 0.001 0.000 0.229 447 R C 0.816 176.980 176.300 -0.227 0.000 1.120 447 R CA 0.783 56.652 56.100 -0.384 0.000 0.967 447 R CB -0.637 29.375 30.300 -0.481 0.000 0.862 447 R HN 0.612 nan 8.270 nan 0.000 0.436 448 A N 2.890 125.534 122.820 -0.292 0.000 2.540 448 A HA 0.199 4.520 4.320 0.001 0.000 0.239 448 A C -2.150 175.348 177.584 -0.143 0.000 1.061 448 A CA -1.145 50.775 52.037 -0.196 0.000 0.758 448 A CB -0.114 18.759 19.000 -0.212 0.000 0.991 448 A HN 0.314 nan 8.150 nan 0.000 0.502 449 P HA 0.173 nan 4.420 nan 0.000 0.269 449 P C -0.749 176.532 177.300 -0.032 0.000 1.209 449 P CA 0.318 63.332 63.100 -0.143 0.000 0.776 449 P CB 0.438 31.902 31.700 -0.392 0.000 0.876 450 I N 3.564 124.153 120.570 0.031 0.000 2.306 450 I HA 0.280 4.450 4.170 0.001 0.000 0.288 450 I C 0.652 176.857 176.117 0.146 0.000 1.036 450 I CA -0.537 60.806 61.300 0.072 0.000 1.221 450 I CB 0.320 38.361 38.000 0.069 0.000 1.385 450 I HN 0.112 nan 8.210 nan 0.000 0.472 451 I N 6.365 127.037 120.570 0.170 0.000 2.294 451 I HA 0.287 4.458 4.170 0.001 0.000 0.295 451 I C 0.672 176.882 176.117 0.156 0.000 1.098 451 I CA -0.114 61.327 61.300 0.235 0.000 1.277 451 I CB 0.708 38.861 38.000 0.257 0.000 1.434 451 I HN 0.603 nan 8.210 nan 0.000 0.498 452 A N 7.281 130.181 122.820 0.134 0.000 2.279 452 A HA 0.555 4.875 4.320 0.001 0.000 0.306 452 A C -0.212 177.429 177.584 0.095 0.000 1.300 452 A CA -0.395 51.688 52.037 0.077 0.000 0.925 452 A CB 0.342 19.360 19.000 0.030 0.000 1.152 452 A HN 0.468 nan 8.150 nan 0.000 0.544 453 V N 3.056 123.035 119.914 0.109 0.000 2.383 453 V HA 0.603 4.724 4.120 0.001 0.000 0.275 453 V C 0.580 176.741 176.094 0.111 0.000 1.036 453 V CA -0.032 62.365 62.300 0.163 0.000 0.889 453 V CB 1.072 33.016 31.823 0.202 0.000 0.985 453 V HN 0.945 nan 8.190 nan 0.000 0.459 454 T N 4.282 118.903 114.554 0.111 0.000 2.896 454 T HA 0.443 4.794 4.350 0.001 0.000 0.297 454 T C 0.536 175.265 174.700 0.050 0.000 1.108 454 T CA -0.635 61.502 62.100 0.061 0.000 1.004 454 T CB 1.820 70.709 68.868 0.035 0.000 1.159 454 T HN 0.637 nan 8.240 nan 0.000 0.499 455 R N 1.330 121.843 120.500 0.023 0.000 2.362 455 R HA 0.209 4.550 4.340 0.001 0.000 0.227 455 R C 0.331 176.634 176.300 0.005 0.000 0.905 455 R CA -0.215 55.885 56.100 -0.000 0.000 1.067 455 R CB 0.229 30.522 30.300 -0.011 0.000 1.078 455 R HN 0.390 nan 8.270 nan 0.000 0.516 456 N N 1.703 120.412 118.700 0.015 0.000 2.420 456 N HA 0.088 4.828 4.740 0.001 0.000 0.249 456 N C -2.124 173.402 175.510 0.026 0.000 1.033 456 N CA -1.941 51.118 53.050 0.015 0.000 0.944 456 N CB 1.792 40.287 38.487 0.013 0.000 1.113 456 N HN -0.167 nan 8.380 nan 0.000 0.502 457 P HA -0.132 nan 4.420 nan 0.000 0.217 457 P C 1.220 178.550 177.300 0.050 0.000 1.150 457 P CA 1.107 64.236 63.100 0.048 0.000 0.832 457 P CB 0.406 32.129 31.700 0.039 0.000 0.787 458 Q N -0.661 119.161 119.800 0.036 0.000 2.050 458 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 458 Q C 1.840 177.866 176.000 0.044 0.000 0.980 458 Q CA 2.165 57.990 55.803 0.037 0.000 0.840 458 Q CB -0.711 28.042 28.738 0.026 0.000 0.898 458 Q HN 0.107 nan 8.270 nan 0.000 0.424 459 T N 0.730 115.307 114.554 0.037 0.000 2.665 459 T HA -0.214 4.136 4.350 0.001 0.000 0.268 459 T C 1.774 176.490 174.700 0.026 0.000 1.035 459 T CA 1.416 63.539 62.100 0.038 0.000 1.151 459 T CB -0.517 68.360 68.868 0.014 0.000 0.862 459 T HN 0.508 nan 8.240 nan 0.000 0.438 460 A N 1.708 124.537 122.820 0.016 0.000 1.908 460 A HA -0.181 4.139 4.320 0.001 0.000 0.218 460 A C 2.392 179.926 177.584 -0.082 0.000 1.181 460 A CA 1.664 53.689 52.037 -0.020 0.000 0.627 460 A CB -0.492 18.532 19.000 0.041 0.000 0.818 460 A HN 0.458 nan 8.150 nan 0.000 0.445 461 R N -0.958 119.544 120.500 0.004 0.000 2.073 461 R HA -0.069 4.271 4.340 0.001 0.000 0.229 461 R C 2.374 178.717 176.300 0.072 0.000 1.120 461 R CA 1.442 57.574 56.100 0.052 0.000 0.967 461 R CB -0.302 30.049 30.300 0.084 0.000 0.862 461 R HN 0.663 nan 8.270 nan 0.000 0.436 462 Q N 0.098 119.945 119.800 0.077 0.000 2.297 462 Q HA 0.011 4.352 4.340 0.001 0.000 0.204 462 Q C 1.953 178.065 176.000 0.187 0.000 0.962 462 Q CA 0.968 56.849 55.803 0.131 0.000 0.879 462 Q CB 0.101 28.922 28.738 0.139 0.000 0.947 462 Q HN 0.327 nan 8.270 nan 0.000 0.462 463 A N 0.491 123.383 122.820 0.121 0.000 2.125 463 A HA -0.190 4.131 4.320 0.001 0.000 0.219 463 A C 1.371 179.046 177.584 0.152 0.000 1.156 463 A CA 0.981 53.122 52.037 0.172 0.000 0.671 463 A CB -0.498 18.514 19.000 0.020 0.000 0.794 463 A HN 0.356 nan 8.150 nan 0.000 0.459 464 H N -0.294 118.860 119.070 0.140 0.000 2.518 464 H HA -0.006 4.551 4.556 0.001 0.000 0.289 464 H C 1.717 177.098 175.328 0.088 0.000 1.051 464 H CA 1.096 57.200 56.048 0.094 0.000 1.280 464 H CB -0.191 29.597 29.762 0.044 0.000 1.380 464 H HN 0.463 nan 8.280 nan 0.000 0.566 465 L N -0.204 121.127 121.223 0.181 0.000 2.362 465 L HA -0.128 4.213 4.340 0.001 0.000 0.219 465 L C 0.061 176.801 176.870 -0.215 0.000 1.134 465 L CA 0.700 55.513 54.840 -0.045 0.000 0.807 465 L CB -0.147 41.799 42.059 -0.188 0.000 0.927 465 L HN 0.134 nan 8.230 nan 0.000 0.447 466 Y N -0.615 119.702 120.300 0.030 0.000 2.331 466 Y HA 0.371 4.921 4.550 0.001 0.000 0.338 466 Y C 0.559 176.499 175.900 0.066 0.000 0.976 466 Y CA -1.295 56.819 58.100 0.022 0.000 1.137 466 Y CB 0.876 39.347 38.460 0.019 0.000 1.172 466 Y HN -0.104 nan 8.280 nan 0.000 0.478 467 R N 1.848 122.449 120.500 0.167 0.000 2.494 467 R HA 0.252 4.592 4.340 0.001 0.000 0.291 467 R C 1.157 177.556 176.300 0.165 0.000 0.953 467 R CA 1.470 57.655 56.100 0.143 0.000 1.098 467 R CB -0.458 29.908 30.300 0.110 0.000 0.911 467 R HN 0.987 nan 8.270 nan 0.000 0.407 468 G N 3.762 112.649 108.800 0.145 0.000 2.241 468 G HA2 -0.272 3.688 3.960 0.001 0.000 0.244 468 G HA3 -0.272 3.688 3.960 0.001 0.000 0.244 468 G C 0.226 175.209 174.900 0.138 0.000 0.998 468 G CA 0.125 45.296 45.100 0.117 0.000 0.621 468 G HN 0.570 nan 8.290 nan 0.000 0.519 469 I N 0.984 121.661 120.570 0.179 0.000 2.416 469 I HA 0.441 4.612 4.170 0.001 0.000 0.288 469 I C -0.147 176.098 176.117 0.212 0.000 1.051 469 I CA -0.474 60.930 61.300 0.173 0.000 1.375 469 I CB 0.779 38.872 38.000 0.156 0.000 1.407 469 I HN 0.097 nan 8.210 nan 0.000 0.516 470 F N 10.141 130.133 119.950 0.071 0.000 2.311 470 F HA 0.470 4.997 4.527 0.001 0.000 0.371 470 F C -2.282 173.557 175.800 0.065 0.000 1.083 470 F CA -2.579 55.482 58.000 0.102 0.000 1.113 470 F CB 0.919 40.017 39.000 0.163 0.000 1.349 470 F HN 0.234 nan 8.300 nan 0.000 0.470 471 P HA 0.262 nan 4.420 nan 0.000 0.285 471 P C -1.209 175.983 177.300 -0.181 0.000 1.259 471 P CA -0.145 62.832 63.100 -0.204 0.000 0.794 471 P CB 1.848 33.353 31.700 -0.325 0.000 0.940 472 V N 1.709 121.646 119.914 0.037 0.000 2.656 472 V HA 0.561 4.681 4.120 0.001 0.000 0.307 472 V C -0.782 175.488 176.094 0.293 0.000 1.051 472 V CA -1.232 61.173 62.300 0.174 0.000 0.893 472 V CB 1.892 33.820 31.823 0.175 0.000 0.999 472 V HN 0.311 nan 8.190 nan 0.000 0.426 473 L N 5.700 127.134 121.223 0.352 0.000 2.262 473 L HA 0.628 4.968 4.340 0.001 0.000 0.288 473 L C -0.059 176.890 176.870 0.132 0.000 1.035 473 L CA -0.069 54.908 54.840 0.227 0.000 0.820 473 L CB 0.606 42.784 42.059 0.198 0.000 1.204 473 L HN 1.086 nan 8.230 nan 0.000 0.424 474 C N 5.894 125.176 119.300 -0.030 0.000 2.499 474 C HA 0.340 4.801 4.460 0.001 0.000 0.386 474 C C 1.309 176.109 174.990 -0.317 0.000 1.293 474 C CA -0.518 58.206 59.018 -0.489 0.000 1.884 474 C CB -0.319 27.183 27.740 -0.396 0.000 2.509 474 C HN 0.882 nan 8.230 nan 0.000 0.566 475 K N 3.033 123.209 120.400 -0.373 0.000 2.358 475 K HA 0.149 4.470 4.320 0.001 0.000 0.200 475 K C 0.171 176.655 176.600 -0.194 0.000 1.030 475 K CA -0.023 56.131 56.287 -0.222 0.000 1.097 475 K CB 0.084 32.471 32.500 -0.188 0.000 0.862 475 K HN 0.754 nan 8.250 nan 0.000 0.534 476 D N 2.878 123.131 120.400 -0.245 0.000 2.423 476 D HA 0.075 4.715 4.640 0.001 0.000 0.238 476 D C -2.227 174.007 176.300 -0.110 0.000 1.142 476 D CA -1.030 52.870 54.000 -0.167 0.000 0.884 476 D CB 0.608 41.302 40.800 -0.176 0.000 1.199 476 D HN -0.056 nan 8.370 nan 0.000 0.438 477 P HA -0.006 nan 4.420 nan 0.000 0.269 477 P C -0.330 176.945 177.300 -0.041 0.000 1.215 477 P CA -0.359 62.711 63.100 -0.050 0.000 0.780 477 P CB 0.515 32.193 31.700 -0.037 0.000 0.898 478 V N 3.843 123.744 119.914 -0.022 0.000 2.485 478 V HA -0.027 4.093 4.120 0.001 0.000 0.287 478 V C 0.875 176.970 176.094 0.001 0.000 1.022 478 V CA 0.103 62.401 62.300 -0.002 0.000 1.067 478 V CB -0.241 31.596 31.823 0.023 0.000 0.967 478 V HN 0.469 nan 8.190 nan 0.000 0.479 479 Q N 3.716 123.514 119.800 -0.005 0.000 2.394 479 Q HA 0.172 4.512 4.340 0.001 0.000 0.248 479 Q C 1.194 177.208 176.000 0.025 0.000 0.992 479 Q CA -0.043 55.758 55.803 -0.002 0.000 0.888 479 Q CB 0.819 29.543 28.738 -0.022 0.000 1.257 479 Q HN 0.707 nan 8.270 nan 0.000 0.462 480 E N 0.505 120.718 120.200 0.023 0.000 2.107 480 E HA -0.021 4.329 4.350 0.001 0.000 0.191 480 E C -0.072 176.563 176.600 0.058 0.000 0.982 480 E CA 0.656 57.078 56.400 0.036 0.000 0.809 480 E CB 0.245 29.958 29.700 0.022 0.000 0.756 480 E HN 0.564 nan 8.360 nan 0.000 0.459 481 A N 0.780 123.631 122.820 0.052 0.000 2.269 481 A HA 0.099 4.419 4.320 0.001 0.000 0.302 481 A C 0.193 177.839 177.584 0.103 0.000 1.266 481 A CA -0.429 51.654 52.037 0.077 0.000 0.894 481 A CB -0.011 19.016 19.000 0.045 0.000 1.147 481 A HN 0.400 nan 8.150 nan 0.000 0.537 482 W N 3.603 124.896 121.300 -0.012 0.000 2.321 482 W HA -0.258 4.402 4.660 0.001 0.000 0.306 482 W C 1.896 178.411 176.519 -0.007 0.000 1.217 482 W CA 2.706 60.041 57.345 -0.016 0.000 1.257 482 W CB -0.012 29.432 29.460 -0.028 0.000 1.145 482 W HN 0.702 nan 8.180 nan 0.000 0.509 483 A N 0.387 123.171 122.820 -0.059 0.000 1.972 483 A HA -0.146 4.174 4.320 0.001 0.000 0.219 483 A C 1.860 179.305 177.584 -0.231 0.000 1.169 483 A CA 2.807 54.701 52.037 -0.239 0.000 0.635 483 A CB -1.483 17.500 19.000 -0.029 0.000 0.810 483 A HN 0.434 nan 8.150 nan 0.000 0.446 484 E N -0.107 120.015 120.200 -0.130 0.000 2.106 484 E HA -0.222 4.129 4.350 0.001 0.000 0.192 484 E C 1.629 178.145 176.600 -0.140 0.000 0.984 484 E CA 1.567 57.906 56.400 -0.102 0.000 0.806 484 E CB -0.864 28.808 29.700 -0.046 0.000 0.750 484 E HN 0.736 nan 8.360 nan 0.000 0.458 485 D N -0.534 119.753 120.400 -0.188 0.000 2.117 485 D HA -0.106 4.535 4.640 0.001 0.000 0.198 485 D C 1.919 178.059 176.300 -0.266 0.000 0.982 485 D CA 1.316 55.202 54.000 -0.190 0.000 0.828 485 D CB 0.060 40.767 40.800 -0.154 0.000 0.967 485 D HN 0.254 nan 8.370 nan 0.000 0.464 486 V N 0.874 120.498 119.914 -0.483 0.000 2.255 486 V HA -0.259 3.862 4.120 0.001 0.000 0.247 486 V C 1.895 177.858 176.094 -0.218 0.000 1.051 486 V CA 2.135 64.175 62.300 -0.433 0.000 1.018 486 V CB -0.574 30.845 31.823 -0.673 0.000 0.641 486 V HN 0.242 nan 8.190 nan 0.000 0.445 487 D N -0.280 120.006 120.400 -0.189 0.000 2.149 487 D HA -0.169 4.472 4.640 0.001 0.000 0.198 487 D C 2.030 178.301 176.300 -0.049 0.000 0.990 487 D CA 1.274 55.215 54.000 -0.098 0.000 0.839 487 D CB -0.343 40.408 40.800 -0.082 0.000 0.948 487 D HN 0.428 nan 8.370 nan 0.000 0.460 488 L N 0.504 121.693 121.223 -0.056 0.000 2.042 488 L HA -0.184 4.157 4.340 0.001 0.000 0.210 488 L C 2.341 179.235 176.870 0.039 0.000 1.076 488 L CA 1.425 56.257 54.840 -0.013 0.000 0.749 488 L CB 0.039 42.075 42.059 -0.038 0.000 0.893 488 L HN -0.102 nan 8.230 nan 0.000 0.432 489 R N -1.042 119.469 120.500 0.019 0.000 2.092 489 R HA -0.100 4.240 4.340 0.001 0.000 0.231 489 R C 2.147 178.536 176.300 0.149 0.000 1.119 489 R CA 1.334 57.495 56.100 0.101 0.000 0.970 489 R CB -0.388 29.938 30.300 0.044 0.000 0.864 489 R HN 0.288 nan 8.270 nan 0.000 0.440 490 V N 1.761 121.713 119.914 0.063 0.000 2.295 490 V HA -0.296 3.825 4.120 0.001 0.000 0.246 490 V C 2.156 178.297 176.094 0.079 0.000 1.049 490 V CA 1.866 64.199 62.300 0.054 0.000 1.024 490 V CB -0.660 31.164 31.823 0.003 0.000 0.648 490 V HN 0.474 nan 8.190 nan 0.000 0.447 491 N N -0.577 118.172 118.700 0.081 0.000 2.166 491 N HA -0.209 4.531 4.740 0.001 0.000 0.186 491 N C 1.985 177.583 175.510 0.147 0.000 1.019 491 N CA 1.516 54.621 53.050 0.091 0.000 0.856 491 N CB -0.117 38.413 38.487 0.071 0.000 0.993 491 N HN 0.467 nan 8.380 nan 0.000 0.426 492 F N 2.031 121.999 119.950 0.031 0.000 2.095 492 F HA -0.105 4.422 4.527 0.001 0.000 0.298 492 F C 2.323 178.166 175.800 0.072 0.000 1.104 492 F CA 1.504 59.529 58.000 0.042 0.000 1.232 492 F CB -0.758 38.261 39.000 0.033 0.000 0.987 492 F HN 0.050 nan 8.300 nan 0.000 0.475 493 A N 0.611 123.404 122.820 -0.045 0.000 1.933 493 A HA -0.181 4.139 4.320 0.001 0.000 0.218 493 A C 2.232 179.842 177.584 0.044 0.000 1.175 493 A CA 1.833 53.824 52.037 -0.077 0.000 0.628 493 A CB -0.688 18.355 19.000 0.071 0.000 0.814 493 A HN 0.426 nan 8.150 nan 0.000 0.444 494 M N 0.223 119.892 119.600 0.115 0.000 2.108 494 M HA -0.137 4.344 4.480 0.001 0.000 0.261 494 M C 1.615 177.993 176.300 0.130 0.000 1.066 494 M CA 1.318 56.760 55.300 0.238 0.000 1.107 494 M CB -1.573 31.110 32.600 0.138 0.000 1.356 494 M HN 0.410 nan 8.290 nan 0.000 0.406 495 N N 0.382 119.082 118.700 0.000 0.000 2.188 495 N HA -0.081 4.659 4.740 0.001 0.000 0.184 495 N C 1.924 177.317 175.510 -0.194 0.000 1.018 495 N CA 1.050 54.064 53.050 -0.061 0.000 0.858 495 N CB -0.539 37.944 38.487 -0.008 0.000 0.989 495 N HN 0.180 nan 8.380 nan 0.000 0.426 496 V N 0.893 120.622 119.914 -0.309 0.000 2.295 496 V HA -0.152 3.968 4.120 0.001 0.000 0.246 496 V C 2.474 178.232 176.094 -0.560 0.000 1.049 496 V CA 2.093 64.162 62.300 -0.386 0.000 1.024 496 V CB -1.279 30.309 31.823 -0.391 0.000 0.648 496 V HN 0.332 nan 8.190 nan 0.000 0.447 497 G N -0.366 108.072 108.800 -0.605 0.000 2.418 497 G HA2 -0.265 3.696 3.960 0.001 0.000 0.217 497 G HA3 -0.265 3.696 3.960 0.001 0.000 0.217 497 G C 1.672 175.835 174.900 -1.228 0.000 1.158 497 G CA 1.041 45.378 45.100 -1.272 0.000 0.771 497 G HN 0.470 nan 8.290 nan 0.000 0.545 498 K N 0.552 120.523 120.400 -0.713 0.000 2.002 498 K HA 0.066 4.386 4.320 0.001 0.000 0.209 498 K C 2.912 179.309 176.600 -0.338 0.000 1.048 498 K CA 1.202 57.273 56.287 -0.360 0.000 0.930 498 K CB -0.285 32.148 32.500 -0.112 0.000 0.714 498 K HN 0.249 nan 8.250 nan 0.000 0.438 499 A N 1.121 123.745 122.820 -0.327 0.000 2.019 499 A HA -0.130 4.190 4.320 0.001 0.000 0.219 499 A C 1.755 179.137 177.584 -0.337 0.000 1.164 499 A CA 1.259 53.141 52.037 -0.258 0.000 0.644 499 A CB -0.227 18.659 19.000 -0.190 0.000 0.805 499 A HN 0.186 nan 8.150 nan 0.000 0.449 500 R N -1.577 118.572 120.500 -0.585 0.000 2.334 500 R HA 0.213 4.553 4.340 0.001 0.000 0.216 500 R C 1.074 177.004 176.300 -0.616 0.000 0.905 500 R CA 0.517 56.188 56.100 -0.715 0.000 1.064 500 R CB 0.083 29.625 30.300 -1.264 0.000 1.046 500 R HN 0.652 nan 8.270 nan 0.000 0.508 501 G N 1.137 109.648 108.800 -0.482 0.000 2.147 501 G HA2 -0.258 3.703 3.960 0.001 0.000 0.244 501 G HA3 -0.258 3.703 3.960 0.001 0.000 0.244 501 G C 0.439 175.288 174.900 -0.086 0.000 1.005 501 G CA -0.020 44.942 45.100 -0.231 0.000 0.713 501 G HN 0.241 nan 8.290 nan 0.000 0.515 502 F N -0.258 119.448 119.950 -0.407 0.000 2.259 502 F HA 0.347 4.875 4.527 0.001 0.000 0.298 502 F C 1.446 177.147 175.800 -0.165 0.000 1.088 502 F CA 0.693 58.485 58.000 -0.346 0.000 1.358 502 F CB -0.653 38.057 39.000 -0.483 0.000 1.040 502 F HN 0.438 nan 8.300 nan 0.000 0.505 503 F N -1.297 118.708 119.950 0.092 0.000 2.779 503 F HA 0.580 5.108 4.527 0.001 0.000 0.316 503 F C -0.868 174.929 175.800 -0.004 0.000 1.164 503 F CA -2.352 55.667 58.000 0.033 0.000 0.924 503 F CB 1.067 40.083 39.000 0.027 0.000 1.348 503 F HN -0.223 nan 8.300 nan 0.000 0.467 504 K N 0.408 121.003 120.400 0.326 0.000 2.444 504 K HA 0.471 4.791 4.320 0.001 0.000 0.252 504 K C -1.198 175.502 176.600 0.168 0.000 0.993 504 K CA -1.200 55.200 56.287 0.190 0.000 0.847 504 K CB 2.457 35.011 32.500 0.089 0.000 1.340 504 K HN 0.822 nan 8.250 nan 0.000 0.446 505 K N 0.097 120.560 120.400 0.106 0.000 2.543 505 K HA -0.072 4.249 4.320 0.001 0.000 0.279 505 K C 0.662 177.282 176.600 0.032 0.000 1.001 505 K CA 1.964 58.286 56.287 0.059 0.000 1.088 505 K CB -0.469 32.055 32.500 0.039 0.000 0.863 505 K HN 0.890 nan 8.250 nan 0.000 0.488 506 G N 3.046 111.848 108.800 0.004 0.000 2.234 506 G HA2 -0.217 3.743 3.960 0.001 0.000 0.235 506 G HA3 -0.217 3.743 3.960 0.001 0.000 0.235 506 G C -0.291 174.594 174.900 -0.025 0.000 0.997 506 G CA 0.181 45.275 45.100 -0.010 0.000 0.623 506 G HN 0.730 nan 8.290 nan 0.000 0.514 507 D N 0.605 120.990 120.400 -0.025 0.000 2.368 507 D HA 0.443 5.083 4.640 0.001 0.000 0.240 507 D C 1.047 177.272 176.300 -0.126 0.000 1.169 507 D CA 0.634 54.603 54.000 -0.053 0.000 0.906 507 D CB 1.644 42.435 40.800 -0.016 0.000 1.187 507 D HN 0.952 nan 8.370 nan 0.000 0.435 508 V N -0.753 119.088 119.914 -0.122 0.000 2.481 508 V HA 0.703 4.824 4.120 0.001 0.000 0.286 508 V C 0.117 176.088 176.094 -0.206 0.000 1.042 508 V CA -0.753 61.460 62.300 -0.145 0.000 0.928 508 V CB 1.243 33.009 31.823 -0.095 0.000 0.986 508 V HN 0.347 nan 8.190 nan 0.000 0.462 509 V N 2.722 122.494 119.914 -0.237 0.000 3.040 509 V HA 0.715 4.836 4.120 0.001 0.000 0.312 509 V C -0.544 175.453 176.094 -0.162 0.000 1.115 509 V CA -0.929 61.219 62.300 -0.253 0.000 0.998 509 V CB 2.078 33.652 31.823 -0.415 0.000 1.042 509 V HN 0.813 nan 8.190 nan 0.000 0.433 510 I N 2.655 123.145 120.570 -0.132 0.000 2.385 510 I HA 0.599 4.770 4.170 0.001 0.000 0.294 510 I C -0.128 175.948 176.117 -0.069 0.000 0.988 510 I CA -0.599 60.646 61.300 -0.093 0.000 1.265 510 I CB 1.389 39.334 38.000 -0.093 0.000 1.388 510 I HN 0.518 nan 8.210 nan 0.000 0.480 511 V N 7.060 126.946 119.914 -0.048 0.000 2.487 511 V HA 0.473 4.594 4.120 0.001 0.000 0.298 511 V C -0.072 176.018 176.094 -0.006 0.000 1.028 511 V CA -0.642 61.642 62.300 -0.026 0.000 0.860 511 V CB 2.414 34.219 31.823 -0.030 0.000 0.991 511 V HN 0.430 nan 8.190 nan 0.000 0.427 512 L N 5.290 126.518 121.223 0.008 0.000 2.305 512 L HA 0.778 5.118 4.340 0.001 0.000 0.284 512 L C 0.250 177.143 176.870 0.038 0.000 1.013 512 L CA -0.100 54.756 54.840 0.026 0.000 0.819 512 L CB 2.011 44.086 42.059 0.028 0.000 1.227 512 L HN 0.900 nan 8.230 nan 0.000 0.417 513 T N -0.476 114.113 114.554 0.059 0.000 2.804 513 T HA 0.810 5.160 4.350 0.001 0.000 0.290 513 T C -0.161 174.627 174.700 0.147 0.000 1.099 513 T CA -0.671 61.474 62.100 0.075 0.000 1.011 513 T CB 2.131 71.016 68.868 0.029 0.000 1.291 513 T HN 0.556 nan 8.240 nan 0.000 0.523 514 G N -0.924 108.003 108.800 0.211 0.000 2.685 514 G HA2 0.523 4.484 3.960 0.001 0.000 0.298 514 G HA3 0.523 4.484 3.960 0.001 0.000 0.298 514 G C 0.255 175.404 174.900 0.416 0.000 1.277 514 G CA -0.791 44.487 45.100 0.297 0.000 0.986 514 G HN 0.962 nan 8.290 nan 0.000 0.487 515 W N -0.078 121.381 121.300 0.265 0.000 3.077 515 W HA 0.294 4.955 4.660 0.001 0.000 0.266 515 W C 0.200 176.761 176.519 0.070 0.000 1.300 515 W CA -0.238 57.227 57.345 0.199 0.000 1.586 515 W CB -0.218 29.295 29.460 0.088 0.000 1.103 515 W HN 0.595 nan 8.180 nan 0.000 0.652 516 R N -0.128 119.984 120.500 -0.646 0.000 2.716 516 R HA 0.542 4.882 4.340 0.001 0.000 0.271 516 R C -3.075 172.597 176.300 -1.046 0.000 1.028 516 R CA -1.705 53.667 56.100 -1.214 0.000 0.883 516 R CB 0.540 29.888 30.300 -1.588 0.000 1.250 516 R HN -0.393 nan 8.270 nan 0.000 0.465 517 P HA 0.304 nan 4.420 nan 0.000 0.273 517 P C -0.063 177.087 177.300 -0.251 0.000 1.250 517 P CA 0.652 63.407 63.100 -0.575 0.000 0.793 517 P CB 0.565 31.846 31.700 -0.698 0.000 1.011 518 G N -0.031 108.754 108.800 -0.025 0.000 2.712 518 G HA2 -0.098 3.863 3.960 0.001 0.000 0.686 518 G HA3 -0.098 3.863 3.960 0.001 0.000 0.686 518 G C -0.406 174.573 174.900 0.131 0.000 1.321 518 G CA -0.622 44.515 45.100 0.062 0.000 0.813 518 G HN 0.542 nan 8.290 nan 0.000 0.599 519 S N -0.096 115.621 115.700 0.028 0.000 2.579 519 S HA 0.545 5.015 4.470 0.001 0.000 0.275 519 S C 1.559 175.976 174.600 -0.306 0.000 1.345 519 S CA 1.585 59.741 58.200 -0.073 0.000 1.031 519 S CB 1.118 64.268 63.200 -0.084 0.000 0.892 519 S HN 2.595 nan 8.310 nan 0.000 0.529 520 G N 0.695 109.291 108.800 -0.340 0.000 2.159 520 G HA2 -0.208 3.753 3.960 0.001 0.000 0.227 520 G HA3 -0.208 3.753 3.960 0.001 0.000 0.227 520 G C 0.124 174.606 174.900 -0.697 0.000 0.986 520 G CA -0.140 44.629 45.100 -0.551 0.000 0.651 520 G HN 0.596 nan 8.290 nan 0.000 0.523 521 F N 1.516 121.445 119.950 -0.034 0.000 2.724 521 F HA 0.345 4.872 4.527 0.001 0.000 0.310 521 F C 1.303 177.153 175.800 0.083 0.000 1.107 521 F CA -0.173 57.810 58.000 -0.028 0.000 1.218 521 F CB 0.498 39.238 39.000 -0.433 0.000 1.042 521 F HN -0.006 nan 8.300 nan 0.000 0.540 522 T N 3.165 117.823 114.554 0.173 0.000 2.831 522 T HA 0.023 4.373 4.350 0.001 0.000 0.291 522 T C 1.068 175.893 174.700 0.209 0.000 0.981 522 T CA 0.528 62.729 62.100 0.169 0.000 1.174 522 T CB 0.061 68.983 68.868 0.089 0.000 0.929 522 T HN 0.503 nan 8.240 nan 0.000 0.532 523 N N 0.846 119.688 118.700 0.237 0.000 1.958 523 N HA -0.015 4.726 4.740 0.001 0.000 0.223 523 N C -0.789 174.816 175.510 0.160 0.000 1.395 523 N CA -0.411 52.772 53.050 0.220 0.000 0.737 523 N CB 0.819 39.504 38.487 0.330 0.000 1.155 523 N HN 0.391 nan 8.380 nan 0.000 0.529 524 T N 1.997 116.636 114.554 0.142 0.000 2.840 524 T HA 0.417 4.767 4.350 0.001 0.000 0.287 524 T C -0.988 173.751 174.700 0.064 0.000 0.991 524 T CA -0.466 61.696 62.100 0.103 0.000 0.964 524 T CB 1.755 70.697 68.868 0.122 0.000 0.954 524 T HN 0.096 nan 8.240 nan 0.000 0.438 525 M N 4.078 123.702 119.600 0.041 0.000 2.190 525 M HA 0.524 5.004 4.480 0.001 0.000 0.312 525 M C -1.226 175.078 176.300 0.005 0.000 0.990 525 M CA -0.445 54.866 55.300 0.018 0.000 0.927 525 M CB 1.254 33.861 32.600 0.011 0.000 1.571 525 M HN 0.596 nan 8.290 nan 0.000 0.427 526 R N 2.633 123.128 120.500 -0.007 0.000 2.750 526 R HA 0.734 5.075 4.340 0.001 0.000 0.281 526 R C -1.214 175.064 176.300 -0.036 0.000 0.972 526 R CA -0.897 55.193 56.100 -0.017 0.000 0.912 526 R CB 2.620 32.911 30.300 -0.016 0.000 1.187 526 R HN 0.493 nan 8.270 nan 0.000 0.464 527 V N 3.637 123.528 119.914 -0.039 0.000 2.350 527 V HA 0.391 4.511 4.120 0.001 0.000 0.276 527 V C -0.106 175.954 176.094 -0.057 0.000 1.028 527 V CA -0.599 61.668 62.300 -0.054 0.000 0.860 527 V CB 1.268 33.062 31.823 -0.048 0.000 0.990 527 V HN 0.585 nan 8.190 nan 0.000 0.453 528 V N 3.839 123.706 119.914 -0.078 0.000 2.876 528 V HA 0.800 4.920 4.120 0.001 0.000 0.312 528 V C -2.859 173.173 176.094 -0.104 0.000 1.085 528 V CA -2.728 59.525 62.300 -0.078 0.000 0.945 528 V CB 2.364 34.144 31.823 -0.072 0.000 1.017 528 V HN 0.619 nan 8.190 nan 0.000 0.428 529 P HA 0.285 nan 4.420 nan 0.000 0.275 529 P C -0.255 176.979 177.300 -0.112 0.000 1.227 529 P CA -0.166 62.879 63.100 -0.092 0.000 0.781 529 P CB 0.999 32.666 31.700 -0.055 0.000 0.906 530 V N 5.688 125.513 119.914 -0.147 0.000 2.450 530 V HA 0.078 4.199 4.120 0.001 0.000 0.281 530 V C -1.566 174.511 176.094 -0.028 0.000 1.019 530 V CA -0.819 61.406 62.300 -0.125 0.000 1.062 530 V CB -0.259 31.479 31.823 -0.142 0.000 0.979 530 V HN 0.619 nan 8.190 nan 0.000 0.477 531 P HA 0.000 nan 4.420 nan 0.000 0.216 531 P CA 0.000 63.105 63.100 0.008 0.000 0.800 531 P CB 0.000 31.706 31.700 0.010 0.000 0.726