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 3h6o_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 QVKQKGADFL 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 0.000 176.010 176.000 0.017 0.000 1.003 14 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 14 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 15 T N -0.259 114.309 114.554 0.023 0.000 2.923 15 T HA 0.336 4.686 4.350 0.001 0.000 0.281 15 T C 0.075 174.796 174.700 0.036 0.000 0.995 15 T CA 0.231 62.346 62.100 0.024 0.000 0.985 15 T CB 1.195 70.074 68.868 0.019 0.000 1.114 15 T HN 0.871 nan 8.240 nan 0.000 0.548 16 Q N 0.696 120.516 119.800 0.033 0.000 2.372 16 Q HA -0.330 4.010 4.340 0.001 0.000 0.333 16 Q C -0.325 175.719 176.000 0.073 0.000 1.285 16 Q CA 0.857 56.687 55.803 0.046 0.000 0.983 16 Q CB -2.014 26.746 28.738 0.037 0.000 1.229 16 Q HN 0.740 nan 8.270 nan 0.000 0.442 17 Q N -1.959 117.881 119.800 0.065 0.000 2.453 17 Q HA -0.211 4.130 4.340 0.001 0.000 0.294 17 Q C 0.542 176.610 176.000 0.115 0.000 1.295 17 Q CA 1.520 57.368 55.803 0.074 0.000 0.853 17 Q CB -2.001 26.778 28.738 0.068 0.000 1.193 17 Q HN 0.792 nan 8.270 nan 0.000 0.461 18 L N -1.363 119.927 121.223 0.111 0.000 2.313 18 L HA -0.111 4.230 4.340 0.001 0.000 0.214 18 L C 2.221 179.185 176.870 0.156 0.000 1.119 18 L CA 0.959 55.873 54.840 0.123 0.000 0.809 18 L CB -0.300 41.814 42.059 0.091 0.000 0.933 18 L HN 0.327 nan 8.230 nan 0.000 0.449 19 H N 0.756 119.849 119.070 0.037 0.000 2.256 19 H HA -0.128 4.429 4.556 0.001 0.000 0.299 19 H C 2.188 177.538 175.328 0.037 0.000 1.071 19 H CA 1.679 57.742 56.048 0.025 0.000 1.280 19 H CB -0.088 29.672 29.762 -0.003 0.000 1.370 19 H HN 0.205 nan 8.280 nan 0.000 0.490 20 A N 0.996 123.778 122.820 -0.063 0.000 1.986 20 A HA -0.179 4.142 4.320 0.001 0.000 0.220 20 A C 2.631 180.338 177.584 0.205 0.000 1.171 20 A CA 2.123 54.077 52.037 -0.138 0.000 0.640 20 A CB -1.430 17.350 19.000 -0.367 0.000 0.811 20 A HN 0.651 nan 8.150 nan 0.000 0.451 21 A N -1.352 121.617 122.820 0.249 0.000 1.978 21 A HA -0.124 4.196 4.320 0.001 0.000 0.220 21 A C 1.971 179.701 177.584 0.242 0.000 1.170 21 A CA 1.927 54.155 52.037 0.319 0.000 0.636 21 A CB -0.393 18.741 19.000 0.223 0.000 0.810 21 A HN 0.424 nan 8.150 nan 0.000 0.448 22 M N -0.366 119.321 119.600 0.146 0.000 2.595 22 M HA 0.225 4.706 4.480 0.001 0.000 0.248 22 M C 1.102 177.461 176.300 0.098 0.000 1.119 22 M CA -0.161 55.198 55.300 0.099 0.000 1.079 22 M CB -1.505 31.136 32.600 0.069 0.000 1.472 22 M HN 0.379 nan 8.290 nan 0.000 0.501 23 A N 1.210 124.104 122.820 0.123 0.000 2.520 23 A HA 0.056 4.377 4.320 0.001 0.000 0.245 23 A C 0.844 178.539 177.584 0.186 0.000 1.072 23 A CA -0.075 52.005 52.037 0.073 0.000 0.761 23 A CB 0.103 19.090 19.000 -0.022 0.000 1.004 23 A HN 0.343 nan 8.150 nan 0.000 0.499 24 D N 0.722 121.189 120.400 0.112 0.000 2.269 24 D HA -0.031 4.610 4.640 0.001 0.000 0.208 24 D C 1.018 177.428 176.300 0.183 0.000 0.963 24 D CA 1.885 55.964 54.000 0.132 0.000 0.864 24 D CB -0.071 40.771 40.800 0.070 0.000 0.936 24 D HN 0.738 nan 8.370 nan 0.000 0.505 25 T N -3.523 111.108 114.554 0.130 0.000 2.916 25 T HA 0.327 4.677 4.350 0.001 0.000 0.292 25 T C 0.651 175.314 174.700 -0.061 0.000 1.064 25 T CA -0.940 61.224 62.100 0.108 0.000 1.011 25 T CB 1.584 70.482 68.868 0.049 0.000 1.152 25 T HN -0.117 nan 8.240 nan 0.000 0.510 26 F N 0.838 120.687 119.950 -0.169 0.000 2.163 26 F HA 0.051 4.579 4.527 0.000 0.000 0.297 26 F C 1.908 177.582 175.800 -0.210 0.000 1.094 26 F CA 0.931 58.703 58.000 -0.379 0.000 1.290 26 F CB -0.150 38.759 39.000 -0.151 0.000 1.017 26 F HN 0.519 nan 8.300 nan 0.000 0.483 27 L N 1.054 122.209 121.223 -0.113 0.000 1.989 27 L HA -0.223 4.118 4.340 0.001 0.000 0.211 27 L C 2.268 178.994 176.870 -0.240 0.000 1.071 27 L CA 2.324 57.066 54.840 -0.163 0.000 0.749 27 L CB -1.210 40.827 42.059 -0.037 0.000 0.890 27 L HN 0.224 nan 8.230 nan 0.000 0.431 28 E N -1.226 118.863 120.200 -0.185 0.000 2.110 28 E HA -0.300 4.051 4.350 0.001 0.000 0.193 28 E C 2.254 178.695 176.600 -0.265 0.000 0.988 28 E CA 1.615 57.906 56.400 -0.181 0.000 0.804 28 E CB -0.346 29.285 29.700 -0.115 0.000 0.745 28 E HN 0.734 nan 8.360 nan 0.000 0.458 29 H N -0.371 118.414 119.070 -0.474 0.000 2.352 29 H HA -0.110 4.447 4.556 0.001 0.000 0.299 29 H C 1.887 176.916 175.328 -0.498 0.000 1.097 29 H CA 2.499 58.217 56.048 -0.550 0.000 1.311 29 H CB -0.100 29.089 29.762 -0.955 0.000 1.377 29 H HN 0.190 nan 8.280 nan 0.000 0.504 30 M N -0.881 118.336 119.600 -0.638 0.000 2.067 30 M HA -0.208 4.273 4.480 0.001 0.000 0.260 30 M C 2.558 178.652 176.300 -0.343 0.000 1.069 30 M CA 1.563 56.556 55.300 -0.513 0.000 1.117 30 M CB -0.504 31.825 32.600 -0.452 0.000 1.334 30 M HN 0.393 nan 8.290 nan 0.000 0.407 31 C N 0.135 119.269 119.300 -0.277 0.000 2.410 31 C HA -0.122 4.339 4.460 0.001 0.000 0.281 31 C C 2.600 177.490 174.990 -0.167 0.000 1.318 31 C CA 0.906 59.815 59.018 -0.182 0.000 1.776 31 C CB -1.309 26.346 27.740 -0.142 0.000 1.942 31 C HN 0.464 nan 8.230 nan 0.000 0.508 32 R N -0.221 120.140 120.500 -0.232 0.000 2.280 32 R HA 0.212 4.553 4.340 0.001 0.000 0.195 32 R C 0.259 176.466 176.300 -0.155 0.000 0.935 32 R CA -0.085 55.912 56.100 -0.173 0.000 1.033 32 R CB -0.062 30.066 30.300 -0.288 0.000 0.964 32 R HN 0.473 nan 8.270 nan 0.000 0.489 33 L N 2.331 123.409 121.223 -0.242 0.000 2.559 33 L HA -0.049 4.291 4.340 0.001 0.000 0.274 33 L C -0.176 176.636 176.870 -0.097 0.000 1.205 33 L CA 0.398 55.121 54.840 -0.195 0.000 0.907 33 L CB 0.038 41.968 42.059 -0.215 0.000 1.153 33 L HN -0.020 nan 8.230 nan 0.000 0.490 34 D N 3.308 123.674 120.400 -0.057 0.000 2.593 34 D HA 0.222 4.862 4.640 0.001 0.000 0.251 34 D C 0.781 177.068 176.300 -0.022 0.000 1.140 34 D CA -0.589 53.395 54.000 -0.027 0.000 0.855 34 D CB 1.442 42.241 40.800 -0.002 0.000 1.267 34 D HN 0.440 nan 8.370 nan 0.000 0.532 35 I N 0.130 120.686 120.570 -0.023 0.000 2.614 35 I HA 0.002 4.172 4.170 0.001 0.000 0.258 35 I C 0.226 176.335 176.117 -0.012 0.000 1.189 35 I CA 0.835 62.124 61.300 -0.018 0.000 1.462 35 I CB 0.195 38.184 38.000 -0.018 0.000 1.092 35 I HN 0.068 nan 8.210 nan 0.000 0.442 36 D N 1.340 121.733 120.400 -0.012 0.000 2.328 36 D HA 0.069 4.709 4.640 0.001 0.000 0.221 36 D C 0.615 176.911 176.300 -0.006 0.000 1.072 36 D CA 0.370 54.364 54.000 -0.010 0.000 0.850 36 D CB 0.388 41.181 40.800 -0.012 0.000 0.922 36 D HN 0.237 nan 8.370 nan 0.000 0.516 37 S N 2.234 117.932 115.700 -0.003 0.000 2.410 37 S HA 0.328 4.799 4.470 0.001 0.000 0.304 37 S C -2.553 172.051 174.600 0.006 0.000 1.095 37 S CA -1.399 56.803 58.200 0.005 0.000 1.089 37 S CB 0.927 64.135 63.200 0.014 0.000 0.968 37 S HN -0.114 nan 8.310 nan 0.000 0.480 38 P HA 0.440 nan 4.420 nan 0.000 0.282 38 P C -2.803 174.501 177.300 0.008 0.000 1.249 38 P CA -1.902 61.201 63.100 0.005 0.000 0.806 38 P CB 0.156 31.859 31.700 0.006 0.000 0.984 39 P HA 0.157 nan 4.420 nan 0.000 0.273 39 P C 0.303 177.602 177.300 -0.001 0.000 1.250 39 P CA -0.272 62.827 63.100 -0.002 0.000 0.793 39 P CB 0.223 31.910 31.700 -0.020 0.000 1.011 40 I N -2.704 117.860 120.570 -0.009 0.000 3.138 40 I HA 0.131 4.301 4.170 0.001 0.000 0.288 40 I C 0.780 176.891 176.117 -0.011 0.000 1.148 40 I CA -0.266 61.027 61.300 -0.012 0.000 1.315 40 I CB -0.131 37.846 38.000 -0.039 0.000 1.426 40 I HN 0.167 nan 8.210 nan 0.000 0.615 41 T N 2.211 116.779 114.554 0.023 0.000 2.904 41 T HA 0.077 4.428 4.350 0.001 0.000 0.267 41 T C 1.045 175.781 174.700 0.060 0.000 1.059 41 T CA 0.983 63.136 62.100 0.087 0.000 1.137 41 T CB -0.300 68.670 68.868 0.170 0.000 0.879 41 T HN 0.757 nan 8.240 nan 0.000 0.467 42 A N 1.851 124.554 122.820 -0.195 0.000 2.386 42 A HA 0.540 4.861 4.320 0.001 0.000 0.248 42 A C 0.535 178.002 177.584 -0.195 0.000 1.082 42 A CA -0.344 51.383 52.037 -0.518 0.000 0.789 42 A CB 0.299 18.586 19.000 -1.188 0.000 1.025 42 A HN 0.252 nan 8.150 nan 0.000 0.490 43 R N 1.650 122.105 120.500 -0.075 0.000 2.502 43 R HA 0.260 4.601 4.340 0.001 0.000 0.300 43 R C -0.647 175.692 176.300 0.065 0.000 0.984 43 R CA -0.303 55.803 56.100 0.011 0.000 0.882 43 R CB 0.921 31.273 30.300 0.087 0.000 1.180 43 R HN 0.982 nan 8.270 nan 0.000 0.444 44 N N 0.538 119.265 118.700 0.046 0.000 2.409 44 N HA 0.007 4.747 4.740 0.001 0.000 0.174 44 N C -0.403 175.173 175.510 0.109 0.000 1.037 44 N CA 0.382 53.479 53.050 0.079 0.000 0.898 44 N CB 0.474 38.998 38.487 0.063 0.000 1.010 44 N HN 0.424 nan 8.380 nan 0.000 0.445 45 T N 1.041 115.649 114.554 0.090 0.000 2.779 45 T HA 0.236 4.587 4.350 0.001 0.000 0.296 45 T C 0.698 175.457 174.700 0.099 0.000 0.938 45 T CA -0.538 61.611 62.100 0.083 0.000 1.119 45 T CB 1.115 70.019 68.868 0.059 0.000 0.891 45 T HN 0.130 nan 8.240 nan 0.000 0.526 46 G N 2.700 111.561 108.800 0.102 0.000 2.491 46 G HA2 0.458 4.418 3.960 0.001 0.000 0.238 46 G HA3 0.458 4.418 3.960 0.001 0.000 0.238 46 G C -0.367 174.568 174.900 0.057 0.000 1.277 46 G CA -0.536 44.621 45.100 0.095 0.000 0.851 46 G HN 0.766 nan 8.290 nan 0.000 0.573 47 I N 1.590 122.178 120.570 0.030 0.000 2.389 47 I HA 0.284 4.454 4.170 0.001 0.000 0.288 47 I C -0.175 175.952 176.117 0.016 0.000 0.999 47 I CA -0.446 60.872 61.300 0.030 0.000 1.129 47 I CB 1.794 39.819 38.000 0.043 0.000 1.288 47 I HN 0.227 nan 8.210 nan 0.000 0.444 48 I N 5.805 126.404 120.570 0.049 0.000 2.321 48 I HA 0.316 4.487 4.170 0.001 0.000 0.291 48 I C -0.599 175.567 176.117 0.083 0.000 0.998 48 I CA -0.373 60.977 61.300 0.083 0.000 1.227 48 I CB 1.071 39.159 38.000 0.147 0.000 1.368 48 I HN 0.513 nan 8.210 nan 0.000 0.466 49 C N 4.102 123.445 119.300 0.072 0.000 2.322 49 C HA 0.372 4.833 4.460 0.001 0.000 0.324 49 C C 0.708 175.752 174.990 0.090 0.000 1.284 49 C CA -0.634 58.428 59.018 0.073 0.000 1.606 49 C CB 0.875 28.647 27.740 0.053 0.000 2.251 49 C HN 0.672 nan 8.230 nan 0.000 0.502 50 T N 5.291 119.907 114.554 0.102 0.000 2.779 50 T HA 0.248 4.598 4.350 0.001 0.000 0.296 50 T C 0.331 175.095 174.700 0.106 0.000 0.938 50 T CA -0.007 62.163 62.100 0.116 0.000 1.119 50 T CB -0.085 68.857 68.868 0.124 0.000 0.891 50 T HN 0.360 nan 8.240 nan 0.000 0.526 51 I N 3.364 124.003 120.570 0.116 0.000 2.396 51 I HA 0.628 4.799 4.170 0.001 0.000 0.292 51 I C 0.956 177.158 176.117 0.143 0.000 0.999 51 I CA -0.157 61.209 61.300 0.110 0.000 1.310 51 I CB 0.662 38.721 38.000 0.100 0.000 1.404 51 I HN 0.799 nan 8.210 nan 0.000 0.496 52 G N 6.098 114.969 108.800 0.119 0.000 2.731 52 G HA2 0.465 4.426 3.960 0.001 0.000 0.309 52 G HA3 0.465 4.426 3.960 0.001 0.000 0.309 52 G C -2.569 172.396 174.900 0.108 0.000 1.273 52 G CA -0.428 44.758 45.100 0.145 0.000 0.798 52 G HN 0.264 nan 8.290 nan 0.000 0.509 53 P HA -0.084 nan 4.420 nan 0.000 0.217 53 P C 1.742 179.060 177.300 0.030 0.000 1.148 53 P CA 2.342 65.484 63.100 0.069 0.000 0.834 53 P CB 0.156 31.889 31.700 0.054 0.000 0.783 54 A N -1.002 121.833 122.820 0.026 0.000 2.169 54 A HA 0.040 4.360 4.320 0.001 0.000 0.212 54 A C 1.652 179.244 177.584 0.014 0.000 1.153 54 A CA 1.380 53.422 52.037 0.008 0.000 0.756 54 A CB -0.605 18.396 19.000 0.001 0.000 0.813 54 A HN 0.309 nan 8.150 nan 0.000 0.471 55 S N -2.260 113.455 115.700 0.026 0.000 2.960 55 S HA 0.260 4.730 4.470 0.001 0.000 0.256 55 S C 1.090 175.703 174.600 0.021 0.000 1.017 55 S CA -0.411 57.806 58.200 0.028 0.000 1.144 55 S CB -0.075 63.149 63.200 0.041 0.000 1.109 55 S HN 0.480 nan 8.310 nan 0.000 0.638 56 R N 2.311 122.815 120.500 0.006 0.000 2.153 56 R HA 0.114 4.455 4.340 0.001 0.000 0.218 56 R C 0.555 176.839 176.300 -0.028 0.000 1.072 56 R CA 0.881 56.967 56.100 -0.023 0.000 0.990 56 R CB -0.122 30.134 30.300 -0.073 0.000 0.889 56 R HN 0.577 nan 8.270 nan 0.000 0.452 57 S N 0.213 115.902 115.700 -0.019 0.000 2.568 57 S HA 0.012 4.483 4.470 0.001 0.000 0.282 57 S C 1.540 176.135 174.600 -0.008 0.000 1.338 57 S CA -0.684 57.505 58.200 -0.019 0.000 1.045 57 S CB 1.528 64.720 63.200 -0.013 0.000 0.873 57 S HN -0.132 nan 8.310 nan 0.000 0.516 58 V N 1.674 121.580 119.914 -0.013 0.000 2.392 58 V HA -0.143 3.977 4.120 0.001 0.000 0.249 58 V C 2.629 178.722 176.094 -0.000 0.000 1.059 58 V CA 1.923 64.218 62.300 -0.008 0.000 1.051 58 V CB -0.870 30.942 31.823 -0.019 0.000 0.658 58 V HN 0.814 nan 8.190 nan 0.000 0.455 59 E N 0.022 120.220 120.200 -0.002 0.000 2.072 59 E HA -0.141 4.209 4.350 0.001 0.000 0.191 59 E C 2.365 178.979 176.600 0.024 0.000 0.985 59 E CA 1.744 58.148 56.400 0.006 0.000 0.801 59 E CB -0.655 29.045 29.700 0.001 0.000 0.750 59 E HN 0.583 nan 8.360 nan 0.000 0.452 60 T N 2.181 116.747 114.554 0.019 0.000 2.708 60 T HA -0.100 4.251 4.350 0.001 0.000 0.266 60 T C 2.168 176.892 174.700 0.041 0.000 1.037 60 T CA 0.847 62.963 62.100 0.027 0.000 1.146 60 T CB -0.302 68.576 68.868 0.017 0.000 0.865 60 T HN 0.070 nan 8.240 nan 0.000 0.435 61 L N 0.472 121.719 121.223 0.040 0.000 2.079 61 L HA -0.165 4.176 4.340 0.001 0.000 0.210 61 L C 2.638 179.566 176.870 0.097 0.000 1.081 61 L CA 1.467 56.340 54.840 0.056 0.000 0.752 61 L CB -0.469 41.618 42.059 0.047 0.000 0.896 61 L HN 0.241 nan 8.230 nan 0.000 0.433 62 K N -0.371 120.098 120.400 0.114 0.000 2.063 62 K HA -0.180 4.141 4.320 0.001 0.000 0.208 62 K C 2.038 178.767 176.600 0.215 0.000 1.048 62 K CA 1.318 57.740 56.287 0.224 0.000 0.928 62 K CB -0.075 32.505 32.500 0.134 0.000 0.713 62 K HN 0.297 nan 8.250 nan 0.000 0.442 63 E N 0.178 120.449 120.200 0.119 0.000 2.216 63 E HA -0.080 4.271 4.350 0.001 0.000 0.192 63 E C 2.022 178.648 176.600 0.044 0.000 0.988 63 E CA 0.690 57.137 56.400 0.078 0.000 0.834 63 E CB 0.019 29.755 29.700 0.059 0.000 0.772 63 E HN 0.323 nan 8.360 nan 0.000 0.479 64 M N 0.441 120.069 119.600 0.045 0.000 2.086 64 M HA -0.124 4.356 4.480 0.001 0.000 0.261 64 M C 2.498 178.795 176.300 -0.004 0.000 1.067 64 M CA 1.218 56.532 55.300 0.024 0.000 1.116 64 M CB -0.836 31.783 32.600 0.031 0.000 1.348 64 M HN 0.086 nan 8.290 nan 0.000 0.407 65 I N 0.186 120.760 120.570 0.006 0.000 2.163 65 I HA -0.325 3.846 4.170 0.001 0.000 0.243 65 I C 2.304 178.335 176.117 -0.143 0.000 1.085 65 I CA 1.456 62.718 61.300 -0.065 0.000 1.347 65 I CB -0.420 37.566 38.000 -0.024 0.000 1.044 65 I HN 0.307 nan 8.210 nan 0.000 0.408 66 K N 0.215 120.545 120.400 -0.117 0.000 2.209 66 K HA -0.085 4.236 4.320 0.001 0.000 0.204 66 K C 2.182 178.710 176.600 -0.120 0.000 1.048 66 K CA 1.241 57.444 56.287 -0.141 0.000 0.940 66 K CB -0.092 32.376 32.500 -0.053 0.000 0.729 66 K HN 0.178 nan 8.250 nan 0.000 0.451 67 S N -0.832 114.817 115.700 -0.086 0.000 2.414 67 S HA 0.025 4.496 4.470 0.001 0.000 0.227 67 S C 1.253 175.760 174.600 -0.156 0.000 1.022 67 S CA 1.039 59.182 58.200 -0.095 0.000 0.958 67 S CB 0.544 63.728 63.200 -0.028 0.000 0.797 67 S HN 0.598 nan 8.310 nan 0.000 0.493 68 G N 0.776 109.504 108.800 -0.119 0.000 2.407 68 G HA2 -0.116 3.844 3.960 0.001 0.000 0.210 68 G HA3 -0.116 3.844 3.960 0.001 0.000 0.210 68 G C -0.021 174.847 174.900 -0.052 0.000 1.015 68 G CA -0.407 44.633 45.100 -0.099 0.000 0.807 68 G HN 0.337 nan 8.290 nan 0.000 0.539 69 M N 1.072 120.637 119.600 -0.059 0.000 2.252 69 M HA 0.303 4.784 4.480 0.001 0.000 0.348 69 M C 0.990 177.200 176.300 -0.150 0.000 1.334 69 M CA 0.916 56.176 55.300 -0.066 0.000 1.071 69 M CB 0.144 32.721 32.600 -0.038 0.000 1.763 69 M HN 0.242 nan 8.290 nan 0.000 0.452 70 N N 2.508 121.078 118.700 -0.215 0.000 2.397 70 N HA 0.187 4.928 4.740 0.001 0.000 0.190 70 N C -1.133 174.140 175.510 -0.395 0.000 1.099 70 N CA -0.202 52.531 53.050 -0.528 0.000 0.876 70 N CB 1.026 39.088 38.487 -0.708 0.000 1.143 70 N HN 0.383 nan 8.380 nan 0.000 0.468 71 V N 0.782 120.603 119.914 -0.154 0.000 2.668 71 V HA 0.656 4.776 4.120 0.001 0.000 0.304 71 V C -1.084 175.012 176.094 0.003 0.000 1.071 71 V CA -1.238 61.037 62.300 -0.041 0.000 0.894 71 V CB 1.659 33.509 31.823 0.044 0.000 1.008 71 V HN 0.086 nan 8.190 nan 0.000 0.425 72 A N 4.720 127.542 122.820 0.004 0.000 2.260 72 A HA 0.704 5.024 4.320 0.001 0.000 0.312 72 A C 0.041 177.634 177.584 0.015 0.000 1.321 72 A CA -0.458 51.593 52.037 0.023 0.000 0.928 72 A CB 0.290 19.306 19.000 0.027 0.000 1.158 72 A HN 0.845 nan 8.150 nan 0.000 0.542 73 R N 3.085 123.615 120.500 0.050 0.000 2.229 73 R HA 0.534 4.875 4.340 0.001 0.000 0.328 73 R C -1.635 174.719 176.300 0.090 0.000 1.009 73 R CA -0.522 55.599 56.100 0.035 0.000 0.864 73 R CB 0.400 30.784 30.300 0.139 0.000 1.085 73 R HN 0.571 nan 8.270 nan 0.000 0.453 74 L N 4.315 125.592 121.223 0.090 0.000 2.280 74 L HA 0.304 4.645 4.340 0.001 0.000 0.287 74 L C -0.076 176.930 176.870 0.226 0.000 1.023 74 L CA -0.536 54.422 54.840 0.197 0.000 0.819 74 L CB 1.269 43.496 42.059 0.279 0.000 1.212 74 L HN 0.545 nan 8.230 nan 0.000 0.420 75 N N 2.252 121.083 118.700 0.219 0.000 2.408 75 N HA 0.137 4.877 4.740 0.001 0.000 0.257 75 N C 0.092 175.718 175.510 0.194 0.000 1.064 75 N CA -0.003 53.178 53.050 0.220 0.000 0.952 75 N CB 0.467 39.069 38.487 0.192 0.000 1.093 75 N HN 0.340 nan 8.380 nan 0.000 0.490 76 F N 1.440 121.353 119.950 -0.062 0.000 2.732 76 F HA 0.173 4.701 4.527 0.001 0.000 0.303 76 F C 2.219 178.001 175.800 -0.030 0.000 1.110 76 F CA -0.065 57.896 58.000 -0.066 0.000 1.355 76 F CB -0.173 38.759 39.000 -0.113 0.000 1.081 76 F HN 0.473 nan 8.300 nan 0.000 0.565 77 S N -0.970 114.763 115.700 0.055 0.000 2.387 77 S HA -0.137 4.334 4.470 0.001 0.000 0.230 77 S C 0.655 174.965 174.600 -0.485 0.000 1.035 77 S CA 1.237 59.318 58.200 -0.197 0.000 1.014 77 S CB -0.238 62.844 63.200 -0.196 0.000 0.836 77 S HN 0.298 nan 8.310 nan 0.000 0.466 78 H N -1.437 117.650 119.070 0.029 0.000 2.928 78 H HA 0.545 5.102 4.556 0.001 0.000 0.371 78 H C 0.262 175.535 175.328 -0.093 0.000 1.186 78 H CA -0.053 55.966 56.048 -0.048 0.000 1.134 78 H CB 1.357 31.066 29.762 -0.089 0.000 1.824 78 H HN 0.407 nan 8.280 nan 0.000 0.554 79 G N 1.042 109.776 108.800 -0.111 0.000 2.697 79 G HA2 -0.110 3.850 3.960 0.001 0.000 0.686 79 G HA3 -0.110 3.850 3.960 0.001 0.000 0.686 79 G C -0.086 174.665 174.900 -0.248 0.000 1.179 79 G CA -0.441 44.395 45.100 -0.439 0.000 0.765 79 G HN 0.804 nan 8.290 nan 0.000 0.649 80 T N -1.028 113.385 114.554 -0.234 0.000 2.849 80 T HA 0.513 4.864 4.350 0.001 0.000 0.284 80 T C 1.398 176.104 174.700 0.010 0.000 1.004 80 T CA 0.471 62.528 62.100 -0.072 0.000 1.021 80 T CB 1.188 70.022 68.868 -0.057 0.000 1.013 80 T HN 0.674 nan 8.240 nan 0.000 0.527 81 H N -0.142 118.800 119.070 -0.214 0.000 2.353 81 H HA -0.156 4.400 4.556 0.001 0.000 0.298 81 H C 2.253 177.461 175.328 -0.200 0.000 1.103 81 H CA 1.882 57.640 56.048 -0.485 0.000 1.293 81 H CB 0.226 29.596 29.762 -0.654 0.000 1.372 81 H HN 0.881 nan 8.280 nan 0.000 0.501 82 E N 0.577 120.806 120.200 0.049 0.000 2.051 82 E HA -0.237 4.114 4.350 0.001 0.000 0.192 82 E C 2.074 178.719 176.600 0.075 0.000 0.991 82 E CA 1.125 57.568 56.400 0.072 0.000 0.799 82 E CB -0.231 29.495 29.700 0.045 0.000 0.748 82 E HN 0.490 nan 8.360 nan 0.000 0.449 83 Y N 0.639 120.871 120.300 -0.113 0.000 2.128 83 Y HA -0.294 4.257 4.550 0.001 0.000 0.284 83 Y C 2.370 178.161 175.900 -0.182 0.000 1.154 83 Y CA 2.276 60.259 58.100 -0.195 0.000 1.149 83 Y CB -0.137 38.116 38.460 -0.345 0.000 0.976 83 Y HN 0.228 nan 8.280 nan 0.000 0.505 84 H N -0.609 118.577 119.070 0.193 0.000 2.389 84 H HA -0.031 4.526 4.556 0.001 0.000 0.299 84 H C 2.361 177.840 175.328 0.252 0.000 1.081 84 H CA 1.070 57.224 56.048 0.175 0.000 1.345 84 H CB -0.705 29.089 29.762 0.053 0.000 1.393 84 H HN 0.527 nan 8.280 nan 0.000 0.520 85 A N 1.121 124.207 122.820 0.444 0.000 1.908 85 A HA -0.218 4.103 4.320 0.001 0.000 0.218 85 A C 2.364 180.040 177.584 0.154 0.000 1.181 85 A CA 1.886 54.146 52.037 0.372 0.000 0.627 85 A CB -0.444 18.783 19.000 0.380 0.000 0.818 85 A HN 0.483 nan 8.150 nan 0.000 0.445 86 E N -0.868 119.367 120.200 0.058 0.000 2.106 86 E HA -0.137 4.213 4.350 0.001 0.000 0.192 86 E C 1.973 178.537 176.600 -0.059 0.000 0.984 86 E CA 1.487 57.869 56.400 -0.031 0.000 0.806 86 E CB -0.116 29.520 29.700 -0.107 0.000 0.750 86 E HN 0.595 nan 8.360 nan 0.000 0.458 87 T N 1.558 116.061 114.554 -0.085 0.000 2.684 87 T HA -0.167 4.183 4.350 0.001 0.000 0.267 87 T C 1.939 176.658 174.700 0.031 0.000 1.036 87 T CA 1.390 63.462 62.100 -0.047 0.000 1.148 87 T CB -0.213 68.664 68.868 0.015 0.000 0.863 87 T HN 0.184 nan 8.240 nan 0.000 0.436 88 I N 0.891 121.510 120.570 0.080 0.000 2.127 88 I HA -0.221 3.949 4.170 0.001 0.000 0.241 88 I C 2.704 178.844 176.117 0.039 0.000 1.075 88 I CA 1.446 62.787 61.300 0.068 0.000 1.334 88 I CB -0.395 37.650 38.000 0.074 0.000 1.040 88 I HN 0.217 nan 8.210 nan 0.000 0.405 89 K N 1.409 121.830 120.400 0.035 0.000 2.059 89 K HA -0.261 4.060 4.320 0.001 0.000 0.212 89 K C 1.719 178.327 176.600 0.013 0.000 1.050 89 K CA 2.412 58.711 56.287 0.021 0.000 0.927 89 K CB -0.254 32.256 32.500 0.018 0.000 0.714 89 K HN 0.446 nan 8.250 nan 0.000 0.447 90 N N -0.233 118.468 118.700 0.002 0.000 2.188 90 N HA -0.136 4.604 4.740 0.001 0.000 0.184 90 N C 1.755 177.274 175.510 0.015 0.000 1.018 90 N CA 1.147 54.195 53.050 -0.002 0.000 0.858 90 N CB 0.021 38.496 38.487 -0.020 0.000 0.989 90 N HN -0.040 nan 8.380 nan 0.000 0.426 91 V N 1.487 121.417 119.914 0.026 0.000 2.343 91 V HA -0.202 3.918 4.120 0.001 0.000 0.247 91 V C 2.156 178.282 176.094 0.053 0.000 1.051 91 V CA 1.627 63.951 62.300 0.041 0.000 1.036 91 V CB -0.461 31.387 31.823 0.042 0.000 0.654 91 V HN 0.285 nan 8.190 nan 0.000 0.451 92 R N -0.560 119.968 120.500 0.047 0.000 2.115 92 R HA -0.080 4.261 4.340 0.001 0.000 0.226 92 R C 2.394 178.727 176.300 0.055 0.000 1.100 92 R CA 1.636 57.771 56.100 0.059 0.000 0.980 92 R CB -0.563 29.764 30.300 0.045 0.000 0.875 92 R HN 0.458 nan 8.270 nan 0.000 0.445 93 T N 0.915 115.487 114.554 0.030 0.000 2.777 93 T HA -0.077 4.274 4.350 0.001 0.000 0.266 93 T C 1.937 176.635 174.700 -0.002 0.000 1.040 93 T CA 1.327 63.432 62.100 0.009 0.000 1.141 93 T CB -0.127 68.737 68.868 -0.006 0.000 0.868 93 T HN 0.350 nan 8.240 nan 0.000 0.444 94 A N 1.296 124.126 122.820 0.016 0.000 1.877 94 A HA -0.110 4.211 4.320 0.001 0.000 0.216 94 A C 2.545 180.185 177.584 0.093 0.000 1.186 94 A CA 2.050 54.101 52.037 0.024 0.000 0.620 94 A CB -1.194 17.846 19.000 0.066 0.000 0.822 94 A HN 0.467 nan 8.150 nan 0.000 0.443 95 T N 0.091 114.736 114.554 0.151 0.000 2.737 95 T HA -0.084 4.266 4.350 0.001 0.000 0.265 95 T C 1.598 176.508 174.700 0.350 0.000 1.038 95 T CA 1.445 63.692 62.100 0.246 0.000 1.144 95 T CB -0.213 68.755 68.868 0.166 0.000 0.866 95 T HN 0.432 nan 8.240 nan 0.000 0.434 96 E N 1.616 121.954 120.200 0.231 0.000 2.482 96 E HA 0.002 4.353 4.350 0.001 0.000 0.196 96 E C 2.407 179.055 176.600 0.080 0.000 1.047 96 E CA 0.447 56.971 56.400 0.207 0.000 0.869 96 E CB -0.398 29.362 29.700 0.100 0.000 0.836 96 E HN 0.654 nan 8.360 nan 0.000 0.520 97 S N -0.234 115.427 115.700 -0.066 0.000 2.447 97 S HA -0.092 4.379 4.470 0.001 0.000 0.233 97 S C 1.488 175.895 174.600 -0.320 0.000 1.006 97 S CA 0.515 58.555 58.200 -0.267 0.000 0.957 97 S CB -0.420 62.507 63.200 -0.454 0.000 0.773 97 S HN 0.136 nan 8.310 nan 0.000 0.507 98 F N 1.372 121.415 119.950 0.155 0.000 2.727 98 F HA 0.562 5.090 4.527 0.001 0.000 0.302 98 F C 2.299 178.262 175.800 0.272 0.000 1.097 98 F CA -0.268 57.845 58.000 0.189 0.000 1.330 98 F CB -0.408 38.692 39.000 0.167 0.000 1.084 98 F HN 0.275 nan 8.300 nan 0.000 0.578 99 A N 0.069 123.089 122.820 0.333 0.000 2.172 99 A HA -0.110 4.210 4.320 0.001 0.000 0.216 99 A C 2.323 179.915 177.584 0.013 0.000 1.154 99 A CA 1.419 53.484 52.037 0.047 0.000 0.701 99 A CB -0.901 18.000 19.000 -0.165 0.000 0.789 99 A HN 0.371 nan 8.150 nan 0.000 0.465 100 S N -0.259 115.479 115.700 0.063 0.000 2.370 100 S HA -0.145 4.326 4.470 0.001 0.000 0.226 100 S C 0.722 175.357 174.600 0.058 0.000 1.033 100 S CA 1.104 59.326 58.200 0.037 0.000 1.011 100 S CB -0.335 62.886 63.200 0.036 0.000 0.852 100 S HN 0.481 nan 8.310 nan 0.000 0.457 101 D N 2.398 122.867 120.400 0.116 0.000 2.427 101 D HA 0.435 5.076 4.640 0.001 0.000 0.226 101 D C -2.149 174.264 176.300 0.188 0.000 1.076 101 D CA -2.703 51.375 54.000 0.131 0.000 0.849 101 D CB 1.700 42.579 40.800 0.133 0.000 1.052 101 D HN -0.004 nan 8.370 nan 0.000 0.515 102 P HA 0.022 nan 4.420 nan 0.000 0.223 102 P C 1.463 179.035 177.300 0.453 0.000 1.151 102 P CA 0.573 63.825 63.100 0.254 0.000 0.787 102 P CB 0.399 32.162 31.700 0.105 0.000 0.788 103 I N -1.347 119.444 120.570 0.367 0.000 2.439 103 I HA -0.129 4.041 4.170 0.001 0.000 0.251 103 I C 1.920 178.109 176.117 0.119 0.000 1.139 103 I CA 1.175 62.609 61.300 0.223 0.000 1.438 103 I CB -0.264 37.817 38.000 0.134 0.000 1.085 103 I HN -0.100 nan 8.210 nan 0.000 0.427 104 L N -0.875 120.438 121.223 0.150 0.000 2.585 104 L HA 0.050 4.390 4.340 0.001 0.000 0.226 104 L C 0.544 177.491 176.870 0.129 0.000 1.113 104 L CA -0.253 54.645 54.840 0.098 0.000 0.876 104 L CB -0.212 41.894 42.059 0.079 0.000 1.072 104 L HN 0.167 nan 8.230 nan 0.000 0.468 105 Y N 2.703 123.065 120.300 0.104 0.000 2.650 105 Y HA 0.045 4.595 4.550 0.001 0.000 0.331 105 Y C 0.418 176.341 175.900 0.039 0.000 1.165 105 Y CA -0.165 58.001 58.100 0.109 0.000 1.473 105 Y CB 0.194 38.742 38.460 0.147 0.000 1.224 105 Y HN -0.002 nan 8.280 nan 0.000 0.533 106 R N 8.213 128.393 120.500 -0.533 0.000 2.229 106 R HA 0.320 4.660 4.340 0.001 0.000 0.332 106 R C -2.483 173.363 176.300 -0.756 0.000 0.989 106 R CA -1.885 53.905 56.100 -0.517 0.000 0.842 106 R CB 0.613 30.708 30.300 -0.341 0.000 1.119 106 R HN 0.518 nan 8.270 nan 0.000 0.456 107 P HA -0.063 nan 4.420 nan 0.000 0.265 107 P C -0.813 176.492 177.300 0.008 0.000 1.187 107 P CA 0.075 63.070 63.100 -0.176 0.000 0.766 107 P CB 0.645 32.355 31.700 0.016 0.000 0.820 108 V N 2.314 122.234 119.914 0.010 0.000 2.577 108 V HA 0.616 4.736 4.120 0.001 0.000 0.303 108 V C 0.199 176.328 176.094 0.058 0.000 1.042 108 V CA -0.789 61.506 62.300 -0.007 0.000 0.872 108 V CB 1.731 33.534 31.823 -0.032 0.000 0.998 108 V HN 0.671 nan 8.190 nan 0.000 0.423 109 A N 4.377 127.234 122.820 0.062 0.000 2.279 109 A HA 0.873 5.194 4.320 0.001 0.000 0.303 109 A C -0.606 176.988 177.584 0.016 0.000 1.108 109 A CA -0.505 51.574 52.037 0.070 0.000 0.830 109 A CB 1.309 20.377 19.000 0.114 0.000 1.106 109 A HN 0.717 nan 8.150 nan 0.000 0.493 110 V N 0.727 120.637 119.914 -0.007 0.000 2.448 110 V HA 0.652 4.773 4.120 0.001 0.000 0.295 110 V C 0.267 176.288 176.094 -0.121 0.000 1.025 110 V CA -0.191 62.082 62.300 -0.045 0.000 0.859 110 V CB 1.155 32.958 31.823 -0.034 0.000 0.988 110 V HN 1.194 nan 8.190 nan 0.000 0.431 111 A N 5.190 127.882 122.820 -0.214 0.000 2.331 111 A HA 0.833 5.154 4.320 0.001 0.000 0.320 111 A C -0.954 176.345 177.584 -0.474 0.000 1.138 111 A CA -0.545 51.203 52.037 -0.482 0.000 0.790 111 A CB 1.263 19.699 19.000 -0.941 0.000 1.206 111 A HN 0.898 nan 8.150 nan 0.000 0.470 112 L N 2.692 123.632 121.223 -0.471 0.000 2.265 112 L HA 0.368 4.709 4.340 0.001 0.000 0.289 112 L C -0.792 175.846 176.870 -0.386 0.000 1.033 112 L CA -0.492 54.098 54.840 -0.416 0.000 0.814 112 L CB 0.805 42.562 42.059 -0.502 0.000 1.203 112 L HN 0.710 nan 8.230 nan 0.000 0.423 113 D N 4.141 124.420 120.400 -0.201 0.000 2.359 113 D HA 0.132 4.773 4.640 0.001 0.000 0.230 113 D C -0.123 176.192 176.300 0.025 0.000 1.118 113 D CA -0.200 53.799 54.000 -0.000 0.000 0.844 113 D CB 1.341 42.236 40.800 0.159 0.000 1.059 113 D HN 0.598 nan 8.370 nan 0.000 0.493 114 T N 0.942 115.497 114.554 0.002 0.000 2.900 114 T HA 0.066 4.417 4.350 0.001 0.000 0.307 114 T C 1.293 176.034 174.700 0.069 0.000 1.065 114 T CA -0.397 61.709 62.100 0.009 0.000 1.105 114 T CB 1.993 70.861 68.868 0.000 0.000 0.979 114 T HN 0.423 nan 8.240 nan 0.000 0.544 115 K N 1.877 122.320 120.400 0.072 0.000 2.025 115 K HA 0.204 4.524 4.320 0.001 0.000 0.207 115 K C 1.139 177.741 176.600 0.003 0.000 1.049 115 K CA 1.110 57.416 56.287 0.031 0.000 0.933 115 K CB -0.951 31.559 32.500 0.017 0.000 0.714 115 K HN 1.211 nan 8.250 nan 0.000 0.438 116 G N 0.413 109.221 108.800 0.012 0.000 2.756 116 G HA2 -0.158 3.803 3.960 0.001 0.000 0.678 116 G HA3 -0.158 3.803 3.960 0.001 0.000 0.678 116 G C -2.808 172.065 174.900 -0.046 0.000 1.349 116 G CA -0.580 44.526 45.100 0.011 0.000 0.847 116 G HN 0.195 nan 8.290 nan 0.000 0.548 117 P HA 0.395 nan 4.420 nan 0.000 0.276 117 P C -0.167 176.938 177.300 -0.324 0.000 1.235 117 P CA 0.302 63.329 63.100 -0.122 0.000 0.772 117 P CB 1.017 32.711 31.700 -0.010 0.000 0.871 118 E N 1.884 121.928 120.200 -0.261 0.000 2.320 118 E HA 0.606 4.956 4.350 0.001 0.000 0.264 118 E C -0.549 175.889 176.600 -0.270 0.000 0.923 118 E CA -0.903 55.324 56.400 -0.289 0.000 0.796 118 E CB 1.820 31.414 29.700 -0.176 0.000 1.262 118 E HN 0.332 nan 8.360 nan 0.000 0.428 119 I N 1.820 122.242 120.570 -0.247 0.000 2.447 119 I HA 0.418 4.589 4.170 0.001 0.000 0.287 119 I C -0.398 175.652 176.117 -0.112 0.000 1.023 119 I CA -0.742 60.448 61.300 -0.183 0.000 1.083 119 I CB 1.265 39.149 38.000 -0.193 0.000 1.245 119 I HN 0.168 nan 8.210 nan 0.000 0.434 120 R N 2.843 123.293 120.500 -0.083 0.000 2.854 120 R HA 0.580 4.920 4.340 0.001 0.000 0.271 120 R C -0.188 176.094 176.300 -0.030 0.000 0.994 120 R CA -0.673 55.408 56.100 -0.032 0.000 0.945 120 R CB 2.393 32.701 30.300 0.013 0.000 1.194 120 R HN 0.740 nan 8.270 nan 0.000 0.476 134 L N 2.188 123.422 121.223 0.018 0.000 2.260 134 L HA 0.897 5.237 4.340 0.001 0.000 0.289 134 L C 0.782 177.661 176.870 0.016 0.000 1.057 134 L CA -0.067 54.785 54.840 0.019 0.000 0.811 134 L CB -0.043 42.030 42.059 0.024 0.000 1.184 134 L HN 0.711 nan 8.230 nan 0.000 0.429 135 K N 2.956 123.365 120.400 0.015 0.000 2.234 135 K HA 0.719 5.039 4.320 0.001 0.000 0.282 135 K C 0.600 177.209 176.600 0.014 0.000 1.039 135 K CA -0.050 56.244 56.287 0.013 0.000 0.928 135 K CB 0.020 32.527 32.500 0.011 0.000 1.039 135 K HN 1.900 nan 8.250 nan 0.000 0.470 136 K N 0.332 120.739 120.400 0.013 0.000 2.489 136 K HA 0.454 4.775 4.320 0.001 0.000 0.278 136 K C 1.617 178.225 176.600 0.013 0.000 1.000 136 K CA 0.622 56.917 56.287 0.014 0.000 1.012 136 K CB -0.584 31.922 32.500 0.011 0.000 0.903 136 K HN 2.315 nan 8.250 nan 0.000 0.485 137 G N -0.410 108.399 108.800 0.015 0.000 2.253 137 G HA2 0.074 4.034 3.960 0.001 0.000 0.251 137 G HA3 0.074 4.034 3.960 0.001 0.000 0.251 137 G C 0.743 175.651 174.900 0.014 0.000 0.998 137 G CA 0.641 45.749 45.100 0.014 0.000 0.621 137 G HN 2.093 nan 8.290 nan 0.000 0.524 138 A N 0.157 122.986 122.820 0.015 0.000 2.346 138 A HA 0.669 4.989 4.320 0.001 0.000 0.252 138 A C 0.747 178.341 177.584 0.016 0.000 1.089 138 A CA 1.216 53.262 52.037 0.014 0.000 0.797 138 A CB 0.295 19.304 19.000 0.015 0.000 1.047 138 A HN 0.776 nan 8.150 nan 0.000 0.494 139 T N 0.947 115.510 114.554 0.015 0.000 2.889 139 T HA 0.492 4.842 4.350 0.001 0.000 0.291 139 T C -0.658 174.053 174.700 0.018 0.000 0.995 139 T CA 0.111 62.220 62.100 0.015 0.000 1.092 139 T CB 0.698 69.574 68.868 0.013 0.000 0.954 139 T HN 0.576 nan 8.240 nan 0.000 0.506 140 L N 2.311 123.546 121.223 0.019 0.000 2.476 140 L HA 0.653 4.993 4.340 0.001 0.000 0.269 140 L C -0.325 176.558 176.870 0.021 0.000 0.965 140 L CA -0.677 54.177 54.840 0.023 0.000 0.845 140 L CB 0.901 42.976 42.059 0.027 0.000 1.259 140 L HN 0.670 nan 8.230 nan 0.000 0.403 141 K N 4.277 124.691 120.400 0.024 0.000 2.234 141 K HA 0.828 5.149 4.320 0.001 0.000 0.282 141 K C -0.227 176.389 176.600 0.027 0.000 1.039 141 K CA 0.314 56.615 56.287 0.023 0.000 0.928 141 K CB 0.613 33.129 32.500 0.027 0.000 1.039 141 K HN 1.253 nan 8.250 nan 0.000 0.470 142 I N 1.902 122.480 120.570 0.014 0.000 2.306 142 I HA 0.779 4.950 4.170 0.001 0.000 0.288 142 I C 0.689 176.806 176.117 -0.000 0.000 1.036 142 I CA -0.083 61.219 61.300 0.003 0.000 1.221 142 I CB 0.103 38.091 38.000 -0.021 0.000 1.385 142 I HN 1.087 nan 8.210 nan 0.000 0.472 143 T N 2.990 117.564 114.554 0.035 0.000 2.925 143 T HA 0.725 5.076 4.350 0.001 0.000 0.285 143 T C 0.589 175.324 174.700 0.058 0.000 1.021 143 T CA -0.462 61.675 62.100 0.062 0.000 1.042 143 T CB 0.860 69.799 68.868 0.117 0.000 1.037 143 T HN 0.695 nan 8.240 nan 0.000 0.481 144 L N 0.997 122.257 121.223 0.061 0.000 2.693 144 L HA 0.281 4.622 4.340 0.001 0.000 0.235 144 L C 1.477 178.543 176.870 0.326 0.000 1.127 144 L CA -0.146 54.731 54.840 0.061 0.000 0.914 144 L CB -0.348 41.690 42.059 -0.036 0.000 1.193 144 L HN 0.886 nan 8.230 nan 0.000 0.502 145 D N 0.089 120.662 120.400 0.288 0.000 2.401 145 D HA 0.056 4.697 4.640 0.001 0.000 0.254 145 D C 0.881 177.303 176.300 0.203 0.000 1.192 145 D CA -0.276 53.852 54.000 0.212 0.000 0.885 145 D CB 0.322 41.190 40.800 0.114 0.000 1.147 145 D HN 0.143 nan 8.370 nan 0.000 0.478 146 N N 1.146 119.908 118.700 0.103 0.000 2.453 146 N HA -0.044 4.697 4.740 0.001 0.000 0.183 146 N C 2.357 177.714 175.510 -0.254 0.000 1.041 146 N CA 1.103 54.054 53.050 -0.164 0.000 0.900 146 N CB -0.099 38.346 38.487 -0.070 0.000 0.961 146 N HN 0.682 nan 8.380 nan 0.000 0.443 147 A N 0.521 123.272 122.820 -0.115 0.000 1.948 147 A HA -0.195 4.125 4.320 0.001 0.000 0.220 147 A C 2.065 179.568 177.584 -0.135 0.000 1.177 147 A CA 1.956 53.932 52.037 -0.102 0.000 0.636 147 A CB -1.391 17.583 19.000 -0.042 0.000 0.815 147 A HN 0.521 nan 8.150 nan 0.000 0.449 148 Y N -2.570 117.648 120.300 -0.136 0.000 2.583 148 Y HA 0.503 5.054 4.550 0.001 0.000 0.294 148 Y C 2.514 178.249 175.900 -0.274 0.000 1.170 148 Y CA 0.868 58.900 58.100 -0.113 0.000 1.265 148 Y CB -1.584 36.889 38.460 0.021 0.000 1.119 148 Y HN 0.582 nan 8.280 nan 0.000 0.522 149 M N 0.153 119.372 119.600 -0.634 0.000 2.358 149 M HA 0.162 4.642 4.480 0.001 0.000 0.264 149 M C 1.484 177.485 176.300 -0.498 0.000 1.064 149 M CA 2.422 57.048 55.300 -1.125 0.000 1.093 149 M CB -1.445 30.341 32.600 -1.357 0.000 1.401 149 M HN 0.999 nan 8.290 nan 0.000 0.440 150 E N -0.038 119.994 120.200 -0.280 0.000 2.630 150 E HA 0.514 4.865 4.350 0.001 0.000 0.218 150 E C 1.142 177.698 176.600 -0.073 0.000 0.977 150 E CA 0.628 56.944 56.400 -0.140 0.000 1.038 150 E CB -0.672 28.952 29.700 -0.127 0.000 1.051 150 E HN 0.956 nan 8.360 nan 0.000 0.487 151 K N 0.016 120.377 120.400 -0.065 0.000 2.814 151 K HA 0.462 4.783 4.320 0.001 0.000 0.213 151 K C 0.216 176.825 176.600 0.015 0.000 1.113 151 K CA 0.004 56.277 56.287 -0.023 0.000 1.145 151 K CB -1.415 31.069 32.500 -0.027 0.000 0.948 151 K HN 0.402 nan 8.250 nan 0.000 0.464 152 C N 2.449 121.771 119.300 0.037 0.000 2.667 152 C HA 0.485 4.946 4.460 0.001 0.000 0.385 152 C C 1.037 176.057 174.990 0.050 0.000 1.299 152 C CA 0.005 59.067 59.018 0.073 0.000 1.554 152 C CB -1.707 26.094 27.740 0.102 0.000 2.275 152 C HN 0.763 nan 8.230 nan 0.000 0.588 153 D N 1.696 122.124 120.400 0.047 0.000 2.506 153 D HA 0.600 5.241 4.640 0.001 0.000 0.254 153 D C 0.994 177.316 176.300 0.037 0.000 1.089 153 D CA 0.302 54.323 54.000 0.034 0.000 1.050 153 D CB 0.548 41.364 40.800 0.026 0.000 1.221 153 D HN 0.577 nan 8.370 nan 0.000 0.589 154 E N -1.875 118.343 120.200 0.029 0.000 2.265 154 E HA -0.088 4.262 4.350 0.001 0.000 0.196 154 E C 1.966 178.583 176.600 0.028 0.000 0.996 154 E CA 2.031 58.447 56.400 0.027 0.000 0.832 154 E CB -1.555 28.157 29.700 0.021 0.000 0.756 154 E HN 0.787 nan 8.360 nan 0.000 0.491 155 N N -0.517 118.200 118.700 0.028 0.000 2.305 155 N HA 0.429 5.169 4.740 0.001 0.000 0.179 155 N C 1.022 176.552 175.510 0.033 0.000 1.019 155 N CA 1.572 54.638 53.050 0.027 0.000 0.869 155 N CB 0.054 38.554 38.487 0.023 0.000 1.000 155 N HN 1.132 nan 8.380 nan 0.000 0.431 156 I N -0.187 120.409 120.570 0.042 0.000 2.582 156 I HA 0.808 4.979 4.170 0.001 0.000 0.292 156 I C -1.084 175.079 176.117 0.077 0.000 1.066 156 I CA -1.193 60.141 61.300 0.056 0.000 1.053 156 I CB 1.174 39.209 38.000 0.059 0.000 1.241 156 I HN 0.444 nan 8.210 nan 0.000 0.421 157 L N 4.798 126.074 121.223 0.088 0.000 2.365 157 L HA 0.907 5.248 4.340 0.001 0.000 0.273 157 L C -0.958 176.009 176.870 0.162 0.000 1.000 157 L CA -0.709 54.199 54.840 0.114 0.000 0.819 157 L CB 1.743 43.846 42.059 0.073 0.000 1.284 157 L HN 0.884 nan 8.230 nan 0.000 0.418 158 W N 6.362 127.670 121.300 0.015 0.000 2.496 158 W HA 0.737 5.398 4.660 0.001 0.000 0.327 158 W C -1.691 174.841 176.519 0.023 0.000 1.086 158 W CA -0.577 56.777 57.345 0.016 0.000 1.222 158 W CB 1.146 30.614 29.460 0.013 0.000 1.304 158 W HN 0.455 nan 8.180 nan 0.000 0.547 159 L N 4.814 125.473 121.223 -0.940 0.000 2.333 159 L HA 0.329 4.670 4.340 0.001 0.000 0.263 159 L C 0.460 176.362 176.870 -1.614 0.000 1.014 159 L CA -0.891 53.394 54.840 -0.925 0.000 0.820 159 L CB 2.103 43.910 42.059 -0.421 0.000 1.352 159 L HN 0.534 nan 8.230 nan 0.000 0.421 160 D N -0.830 119.001 120.400 -0.949 0.000 2.340 160 D HA -0.065 4.575 4.640 0.001 0.000 0.217 160 D C 0.005 176.210 176.300 -0.158 0.000 1.081 160 D CA 0.086 53.734 54.000 -0.586 0.000 0.842 160 D CB -0.034 40.669 40.800 -0.162 0.000 0.934 160 D HN 0.449 nan 8.370 nan 0.000 0.511 161 Y N 0.769 120.886 120.300 -0.305 0.000 2.595 161 Y HA 0.392 4.942 4.550 0.001 0.000 0.336 161 Y C 1.581 177.393 175.900 -0.147 0.000 0.996 161 Y CA -0.562 57.437 58.100 -0.168 0.000 1.260 161 Y CB 0.775 39.151 38.460 -0.140 0.000 1.108 161 Y HN -0.041 nan 8.280 nan 0.000 0.509 162 K N 2.741 123.065 120.400 -0.127 0.000 2.283 162 K HA -0.133 4.187 4.320 0.001 0.000 0.202 162 K C 0.823 177.230 176.600 -0.322 0.000 1.048 162 K CA 1.633 57.811 56.287 -0.182 0.000 0.948 162 K CB -0.322 32.146 32.500 -0.053 0.000 0.742 162 K HN 0.659 nan 8.250 nan 0.000 0.458 163 N N 0.019 118.381 118.700 -0.563 0.000 2.398 163 N HA 0.126 4.867 4.740 0.001 0.000 0.188 163 N C 1.270 176.325 175.510 -0.759 0.000 1.122 163 N CA 0.138 52.858 53.050 -0.551 0.000 0.866 163 N CB -0.016 38.277 38.487 -0.324 0.000 0.970 163 N HN 0.530 nan 8.380 nan 0.000 0.462 164 I N -0.082 119.864 120.570 -1.041 0.000 2.236 164 I HA -0.394 3.777 4.170 0.001 0.000 0.249 164 I C 1.268 177.220 176.117 -0.274 0.000 1.102 164 I CA 1.237 62.148 61.300 -0.650 0.000 1.365 164 I CB 0.065 37.868 38.000 -0.328 0.000 1.051 164 I HN 0.147 nan 8.210 nan 0.000 0.420 165 C N 1.165 120.325 119.300 -0.233 0.000 2.440 165 C HA -0.118 4.342 4.460 0.001 0.000 0.278 165 C C 3.134 178.061 174.990 -0.106 0.000 1.295 165 C CA 1.313 60.251 59.018 -0.133 0.000 1.738 165 C CB -1.507 26.168 27.740 -0.110 0.000 1.987 165 C HN 0.640 nan 8.230 nan 0.000 0.492 166 K N 0.652 120.977 120.400 -0.126 0.000 2.044 166 K HA -0.157 4.164 4.320 0.001 0.000 0.210 166 K C 1.640 178.210 176.600 -0.050 0.000 1.049 166 K CA 2.257 58.497 56.287 -0.079 0.000 0.927 166 K CB -1.249 31.204 32.500 -0.078 0.000 0.713 166 K HN 0.758 nan 8.250 nan 0.000 0.443 167 V N -3.727 116.159 119.914 -0.046 0.000 3.342 167 V HA 0.697 4.818 4.120 0.001 0.000 0.322 167 V C 0.636 176.723 176.094 -0.011 0.000 1.370 167 V CA -0.055 62.244 62.300 -0.002 0.000 1.170 167 V CB -0.461 31.400 31.823 0.063 0.000 1.101 167 V HN 0.487 nan 8.190 nan 0.000 0.442 168 V N -0.320 119.574 119.914 -0.035 0.000 2.417 168 V HA 0.983 5.103 4.120 0.001 0.000 0.291 168 V C -0.013 176.059 176.094 -0.036 0.000 1.024 168 V CA -0.051 62.227 62.300 -0.037 0.000 0.861 168 V CB 1.225 33.020 31.823 -0.046 0.000 0.985 168 V HN 0.570 nan 8.190 nan 0.000 0.436 169 E N 3.034 123.213 120.200 -0.035 0.000 2.249 169 E HA 0.739 5.090 4.350 0.001 0.000 0.263 169 E C -0.455 176.127 176.600 -0.029 0.000 0.950 169 E CA -0.557 55.825 56.400 -0.030 0.000 0.827 169 E CB 1.822 31.504 29.700 -0.029 0.000 1.220 169 E HN 1.353 nan 8.360 nan 0.000 0.411 170 V N 1.369 121.268 119.914 -0.024 0.000 2.450 170 V HA 0.474 4.595 4.120 0.001 0.000 0.281 170 V C 1.619 177.701 176.094 -0.020 0.000 1.019 170 V CA 1.737 64.025 62.300 -0.020 0.000 1.062 170 V CB 0.007 31.821 31.823 -0.015 0.000 0.979 170 V HN 1.608 nan 8.190 nan 0.000 0.477 171 G N 3.645 112.433 108.800 -0.020 0.000 2.205 171 G HA2 -0.179 3.781 3.960 0.001 0.000 0.180 171 G HA3 -0.179 3.781 3.960 0.001 0.000 0.180 171 G C 0.257 175.139 174.900 -0.030 0.000 1.004 171 G CA -0.013 45.075 45.100 -0.020 0.000 0.670 171 G HN 0.664 nan 8.290 nan 0.000 0.496 172 S N 1.176 116.852 115.700 -0.040 0.000 2.565 172 S HA 0.640 5.111 4.470 0.001 0.000 0.276 172 S C 0.610 175.168 174.600 -0.069 0.000 1.326 172 S CA 0.468 58.631 58.200 -0.061 0.000 1.045 172 S CB 1.438 64.600 63.200 -0.064 0.000 0.918 172 S HN 1.115 nan 8.310 nan 0.000 0.505 173 K N 2.022 122.355 120.400 -0.111 0.000 2.118 173 K HA 0.682 5.003 4.320 0.001 0.000 0.264 173 K C -0.457 175.990 176.600 -0.254 0.000 1.000 173 K CA -0.343 55.855 56.287 -0.149 0.000 0.929 173 K CB 0.139 32.531 32.500 -0.181 0.000 1.021 173 K HN 0.708 nan 8.250 nan 0.000 0.463 174 I N 2.096 122.555 120.570 -0.185 0.000 2.512 174 I HA 0.335 4.505 4.170 0.001 0.000 0.287 174 I C -1.050 175.092 176.117 0.041 0.000 1.069 174 I CA -0.873 60.340 61.300 -0.143 0.000 1.056 174 I CB 1.747 39.724 38.000 -0.039 0.000 1.229 174 I HN 0.731 nan 8.210 nan 0.000 0.429 175 Y N 4.914 125.220 120.300 0.010 0.000 2.387 175 Y HA 0.721 5.272 4.550 0.001 0.000 0.336 175 Y C -0.135 175.767 175.900 0.004 0.000 1.067 175 Y CA -1.336 56.770 58.100 0.009 0.000 1.114 175 Y CB 2.460 40.927 38.460 0.012 0.000 1.208 175 Y HN 0.154 nan 8.280 nan 0.000 0.458 176 V N 1.886 121.902 119.914 0.171 0.000 2.709 176 V HA 0.216 4.337 4.120 0.001 0.000 0.308 176 V C -0.718 175.412 176.094 0.060 0.000 1.062 176 V CA -0.941 61.412 62.300 0.089 0.000 0.901 176 V CB 1.644 33.507 31.823 0.067 0.000 1.003 176 V HN 0.926 nan 8.190 nan 0.000 0.425 177 D N 3.559 123.986 120.400 0.045 0.000 2.872 177 D HA -0.152 4.489 4.640 0.001 0.000 0.248 177 D C 0.143 176.459 176.300 0.026 0.000 1.104 177 D CA 1.014 55.033 54.000 0.032 0.000 0.784 177 D CB -0.976 39.840 40.800 0.026 0.000 1.036 177 D HN 0.865 nan 8.370 nan 0.000 0.426 178 D N 0.210 120.630 120.400 0.033 0.000 2.697 178 D HA -0.116 4.524 4.640 0.001 0.000 0.235 178 D C 1.376 177.680 176.300 0.006 0.000 1.167 178 D CA 2.643 56.661 54.000 0.029 0.000 0.656 178 D CB -1.344 39.469 40.800 0.023 0.000 1.025 178 D HN 1.130 nan 8.370 nan 0.000 0.419 179 G N -2.231 106.573 108.800 0.007 0.000 2.189 179 G HA2 -0.311 3.650 3.960 0.001 0.000 0.267 179 G HA3 -0.311 3.650 3.960 0.001 0.000 0.267 179 G C 1.594 176.411 174.900 -0.138 0.000 0.975 179 G CA 1.266 46.292 45.100 -0.122 0.000 0.644 179 G HN 1.246 nan 8.290 nan 0.000 0.537 180 L N -0.611 120.580 121.223 -0.054 0.000 2.093 180 L HA 0.606 4.947 4.340 0.001 0.000 0.208 180 L C 1.591 178.438 176.870 -0.038 0.000 1.085 180 L CA 2.143 56.957 54.840 -0.042 0.000 0.755 180 L CB -0.493 41.558 42.059 -0.013 0.000 0.904 180 L HN 0.530 nan 8.230 nan 0.000 0.435 181 I N -0.724 119.839 120.570 -0.012 0.000 2.569 181 I HA 0.559 4.730 4.170 0.001 0.000 0.296 181 I C -0.180 175.970 176.117 0.056 0.000 1.028 181 I CA -0.641 60.668 61.300 0.015 0.000 1.082 181 I CB 1.812 39.833 38.000 0.035 0.000 1.264 181 I HN 0.137 nan 8.210 nan 0.000 0.429 182 S N 6.183 121.927 115.700 0.072 0.000 2.542 182 S HA 0.876 5.346 4.470 0.001 0.000 0.293 182 S C -1.039 173.645 174.600 0.140 0.000 1.089 182 S CA -0.486 57.825 58.200 0.186 0.000 0.961 182 S CB 1.116 64.398 63.200 0.137 0.000 1.062 182 S HN 0.488 nan 8.310 nan 0.000 0.483 183 L N 2.540 123.854 121.223 0.152 0.000 2.415 183 L HA 0.637 4.978 4.340 0.001 0.000 0.256 183 L C -0.687 176.216 176.870 0.055 0.000 1.010 183 L CA -0.805 54.082 54.840 0.079 0.000 0.826 183 L CB 2.267 44.359 42.059 0.055 0.000 1.405 183 L HN 0.631 nan 8.230 nan 0.000 0.410 184 Q N 0.517 120.337 119.800 0.032 0.000 2.375 184 Q HA 0.587 4.928 4.340 0.001 0.000 0.271 184 Q C -1.589 174.412 176.000 0.002 0.000 1.074 184 Q CA -0.738 55.073 55.803 0.013 0.000 0.808 184 Q CB 2.794 31.543 28.738 0.018 0.000 1.327 184 Q HN 0.472 nan 8.270 nan 0.000 0.441 185 V N 3.298 123.206 119.914 -0.010 0.000 2.427 185 V HA 0.110 4.231 4.120 0.001 0.000 0.268 185 V C 0.427 176.515 176.094 -0.009 0.000 1.046 185 V CA 0.002 62.294 62.300 -0.013 0.000 0.970 185 V CB 0.858 32.667 31.823 -0.023 0.000 1.001 185 V HN 0.766 nan 8.190 nan 0.000 0.476 186 K N 2.322 122.719 120.400 -0.006 0.000 2.350 186 K HA 0.344 4.665 4.320 0.001 0.000 0.196 186 K C 0.647 177.244 176.600 -0.006 0.000 1.084 186 K CA 0.924 57.209 56.287 -0.004 0.000 0.967 186 K CB 0.682 33.182 32.500 0.000 0.000 0.950 186 K HN 0.907 nan 8.250 nan 0.000 0.512 187 Q N 0.553 120.349 119.800 -0.007 0.000 2.423 187 Q HA 0.655 4.996 4.340 0.001 0.000 0.278 187 Q C -1.149 174.844 176.000 -0.012 0.000 1.097 187 Q CA -0.888 54.911 55.803 -0.008 0.000 0.809 187 Q CB 1.541 30.277 28.738 -0.004 0.000 1.391 187 Q HN 0.219 nan 8.270 nan 0.000 0.428 188 K N -0.002 120.389 120.400 -0.014 0.000 2.378 188 K HA 0.784 5.105 4.320 0.001 0.000 0.252 188 K C -0.250 176.339 176.600 -0.018 0.000 0.931 188 K CA -0.306 55.969 56.287 -0.019 0.000 0.794 188 K CB 2.234 34.720 32.500 -0.022 0.000 1.181 188 K HN 0.921 nan 8.250 nan 0.000 0.425 189 G N 0.275 109.062 108.800 -0.021 0.000 3.257 189 G HA2 0.586 4.547 3.960 0.001 0.000 0.205 189 G HA3 0.586 4.547 3.960 0.001 0.000 0.205 189 G C -0.128 174.756 174.900 -0.028 0.000 1.234 189 G CA 0.070 45.158 45.100 -0.019 0.000 0.918 189 G HN 0.544 nan 8.290 nan 0.000 0.602 190 A N -2.164 120.640 122.820 -0.026 0.000 1.999 190 A HA 0.461 4.781 4.320 0.001 0.000 0.200 190 A C 1.836 179.398 177.584 -0.038 0.000 1.363 190 A CA 1.725 53.742 52.037 -0.034 0.000 0.844 190 A CB -0.441 18.544 19.000 -0.025 0.000 0.954 190 A HN 0.796 nan 8.150 nan 0.000 0.481 191 D N -1.472 118.916 120.400 -0.020 0.000 2.354 191 D HA 0.415 5.056 4.640 0.001 0.000 0.209 191 D C 0.466 176.760 176.300 -0.010 0.000 1.015 191 D CA 0.938 54.932 54.000 -0.009 0.000 0.867 191 D CB -0.342 40.466 40.800 0.014 0.000 0.933 191 D HN 0.887 nan 8.370 nan 0.000 0.520 192 F N -4.150 115.791 119.950 -0.016 0.000 2.692 192 F HA 0.878 5.405 4.527 0.001 0.000 0.320 192 F C -0.915 174.872 175.800 -0.022 0.000 1.123 192 F CA -1.205 56.788 58.000 -0.012 0.000 0.961 192 F CB 1.288 40.291 39.000 0.005 0.000 1.383 192 F HN 0.817 nan 8.300 nan 0.000 0.483 193 L N -0.076 121.137 121.223 -0.017 0.000 2.526 193 L HA 0.973 5.314 4.340 0.001 0.000 0.263 193 L C -0.469 176.397 176.870 -0.007 0.000 0.943 193 L CA -0.739 54.091 54.840 -0.017 0.000 0.859 193 L CB 0.759 42.801 42.059 -0.027 0.000 1.313 193 L HN 2.297 nan 8.230 nan 0.000 0.406 194 V N 2.089 122.000 119.914 -0.004 0.000 2.372 194 V HA 0.688 4.809 4.120 0.001 0.000 0.261 194 V C 0.724 176.819 176.094 0.001 0.000 1.055 194 V CA 0.231 62.532 62.300 0.001 0.000 0.930 194 V CB 0.553 32.377 31.823 0.002 0.000 1.031 194 V HN 1.346 nan 8.190 nan 0.000 0.479 195 T N 1.907 116.464 114.554 0.005 0.000 2.943 195 T HA 0.859 5.210 4.350 0.001 0.000 0.284 195 T C -0.137 174.571 174.700 0.012 0.000 1.015 195 T CA 0.204 62.309 62.100 0.008 0.000 1.042 195 T CB 1.602 70.477 68.868 0.010 0.000 1.055 195 T HN 1.533 nan 8.240 nan 0.000 0.500 196 E N 0.807 121.016 120.200 0.015 0.000 2.199 196 E HA 0.606 4.957 4.350 0.001 0.000 0.269 196 E C -0.466 176.149 176.600 0.024 0.000 0.899 196 E CA -1.118 55.292 56.400 0.017 0.000 0.772 196 E CB 1.506 31.215 29.700 0.015 0.000 1.155 196 E HN 0.797 nan 8.360 nan 0.000 0.408 197 V N 2.873 122.802 119.914 0.025 0.000 2.555 197 V HA 0.151 4.271 4.120 0.001 0.000 0.286 197 V C 1.203 177.316 176.094 0.031 0.000 1.044 197 V CA 0.185 62.504 62.300 0.031 0.000 1.026 197 V CB 0.998 32.837 31.823 0.027 0.000 0.981 197 V HN 0.948 nan 8.190 nan 0.000 0.480 198 E N 2.666 122.890 120.200 0.041 0.000 2.052 198 E HA 0.075 4.426 4.350 0.001 0.000 0.192 198 E C 0.485 177.101 176.600 0.028 0.000 0.958 198 E CA 0.357 56.780 56.400 0.038 0.000 0.835 198 E CB 0.073 29.807 29.700 0.057 0.000 0.811 198 E HN 0.793 nan 8.360 nan 0.000 0.462 199 N N 1.005 119.721 118.700 0.027 0.000 2.485 199 N HA 0.409 5.149 4.740 0.001 0.000 0.243 199 N C -0.069 175.448 175.510 0.012 0.000 0.987 199 N CA 0.071 53.126 53.050 0.008 0.000 0.940 199 N CB 1.312 39.789 38.487 -0.016 0.000 1.122 199 N HN 0.315 nan 8.380 nan 0.000 0.509 200 G N 0.109 108.915 108.800 0.010 0.000 2.634 200 G HA2 0.581 4.542 3.960 0.001 0.000 0.255 200 G HA3 0.581 4.542 3.960 0.001 0.000 0.255 200 G C 0.252 175.157 174.900 0.008 0.000 1.205 200 G CA -0.076 45.032 45.100 0.012 0.000 0.884 200 G HN 0.613 nan 8.290 nan 0.000 0.549 201 G N -1.524 107.282 108.800 0.011 0.000 2.320 201 G HA2 0.529 4.490 3.960 0.001 0.000 0.296 201 G HA3 0.529 4.490 3.960 0.001 0.000 0.296 201 G C -0.529 174.379 174.900 0.013 0.000 1.306 201 G CA 0.115 45.221 45.100 0.009 0.000 0.836 201 G HN 1.431 nan 8.290 nan 0.000 0.517 202 S N -1.287 114.420 115.700 0.012 0.000 2.416 202 S HA 0.620 5.090 4.470 0.001 0.000 0.287 202 S C 0.479 175.090 174.600 0.019 0.000 1.139 202 S CA 0.141 58.349 58.200 0.014 0.000 1.058 202 S CB 0.533 63.740 63.200 0.012 0.000 0.967 202 S HN 2.103 nan 8.310 nan 0.000 0.495 203 L N 3.487 124.724 121.223 0.023 0.000 2.325 203 L HA 0.799 5.140 4.340 0.001 0.000 0.284 203 L C 0.983 177.871 176.870 0.030 0.000 1.089 203 L CA -0.218 54.640 54.840 0.030 0.000 0.836 203 L CB -0.622 41.458 42.059 0.035 0.000 1.184 203 L HN 1.066 nan 8.230 nan 0.000 0.444 204 G N 1.706 110.524 108.800 0.030 0.000 2.574 204 G HA2 0.716 4.676 3.960 0.001 0.000 0.248 204 G HA3 0.716 4.676 3.960 0.001 0.000 0.248 204 G C 0.472 175.396 174.900 0.039 0.000 1.422 204 G CA 0.272 45.390 45.100 0.030 0.000 1.051 204 G HN 1.598 nan 8.290 nan 0.000 0.560 205 S N -2.188 113.535 115.700 0.039 0.000 2.475 205 S HA 0.660 5.131 4.470 0.001 0.000 0.298 205 S C 0.582 175.215 174.600 0.055 0.000 1.119 205 S CA 0.582 58.812 58.200 0.049 0.000 1.085 205 S CB 0.506 63.730 63.200 0.039 0.000 1.028 205 S HN 2.010 nan 8.310 nan 0.000 0.489 206 K N 1.763 122.208 120.400 0.075 0.000 3.257 206 K HA -0.156 4.164 4.320 0.001 0.000 0.270 206 K C -0.060 176.573 176.600 0.055 0.000 0.984 206 K CA 2.003 58.337 56.287 0.077 0.000 0.739 206 K CB -2.654 29.889 32.500 0.072 0.000 1.351 206 K HN 0.856 nan 8.250 nan 0.000 0.463 207 K N -0.630 119.800 120.400 0.049 0.000 2.106 207 K HA 0.633 4.954 4.320 0.001 0.000 0.246 207 K C 1.036 177.649 176.600 0.022 0.000 0.987 207 K CA -0.419 55.889 56.287 0.036 0.000 0.904 207 K CB 1.734 34.256 32.500 0.036 0.000 1.071 207 K HN 0.490 nan 8.250 nan 0.000 0.453 208 G N 0.407 109.216 108.800 0.015 0.000 2.403 208 G HA2 0.352 4.312 3.960 0.001 0.000 0.259 208 G HA3 0.352 4.312 3.960 0.001 0.000 0.259 208 G C -0.700 174.201 174.900 0.001 0.000 1.244 208 G CA -0.403 44.694 45.100 -0.006 0.000 0.849 208 G HN 0.233 nan 8.290 nan 0.000 0.532 209 V N 3.075 122.973 119.914 -0.027 0.000 2.448 209 V HA 0.326 4.447 4.120 0.001 0.000 0.295 209 V C -0.533 175.542 176.094 -0.032 0.000 1.025 209 V CA -0.960 61.332 62.300 -0.012 0.000 0.859 209 V CB 1.646 33.453 31.823 -0.026 0.000 0.988 209 V HN 0.790 nan 8.190 nan 0.000 0.431 210 N N 4.430 123.144 118.700 0.024 0.000 2.314 210 N HA 0.690 5.431 4.740 0.001 0.000 0.304 210 N C -1.113 174.371 175.510 -0.044 0.000 1.073 210 N CA -0.596 52.468 53.050 0.022 0.000 0.822 210 N CB 2.141 40.697 38.487 0.116 0.000 1.280 210 N HN 0.530 nan 8.380 nan 0.000 0.489 211 L N 2.441 123.640 121.223 -0.039 0.000 2.356 211 L HA 0.469 4.810 4.340 0.001 0.000 0.264 211 L C -2.354 174.449 176.870 -0.111 0.000 1.029 211 L CA -1.855 52.928 54.840 -0.095 0.000 0.897 211 L CB 0.889 42.946 42.059 -0.003 0.000 1.256 211 L HN 0.262 nan 8.230 nan 0.000 0.444 212 P HA 0.097 nan 4.420 nan 0.000 0.267 212 P C 1.015 178.224 177.300 -0.151 0.000 1.205 212 P CA 0.558 63.557 63.100 -0.169 0.000 0.765 212 P CB 1.018 32.552 31.700 -0.278 0.000 0.828 213 G N 1.809 110.528 108.800 -0.135 0.000 2.184 213 G HA2 -0.193 3.768 3.960 0.001 0.000 0.264 213 G HA3 -0.193 3.768 3.960 0.001 0.000 0.264 213 G C 0.411 175.217 174.900 -0.158 0.000 0.975 213 G CA 0.083 45.008 45.100 -0.291 0.000 0.642 213 G HN 0.870 nan 8.290 nan 0.000 0.536 214 A N -0.003 122.777 122.820 -0.066 0.000 2.316 214 A HA 0.836 5.157 4.320 0.001 0.000 0.284 214 A C 0.797 178.388 177.584 0.011 0.000 1.115 214 A CA 0.763 52.789 52.037 -0.018 0.000 0.812 214 A CB 0.985 19.995 19.000 0.016 0.000 1.064 214 A HN 1.940 nan 8.150 nan 0.000 0.489 215 A N 2.710 125.540 122.820 0.018 0.000 3.004 215 A HA 0.497 4.818 4.320 0.001 0.000 0.286 215 A C 0.091 177.709 177.584 0.055 0.000 1.632 215 A CA -0.334 51.715 52.037 0.020 0.000 1.339 215 A CB -0.933 18.076 19.000 0.015 0.000 1.136 215 A HN 0.821 nan 8.150 nan 0.000 0.577 216 V N 2.721 122.674 119.914 0.066 0.000 2.529 216 V HA 0.009 4.129 4.120 0.001 0.000 0.292 216 V C 1.137 177.297 176.094 0.110 0.000 1.028 216 V CA 0.689 63.068 62.300 0.131 0.000 1.074 216 V CB 0.760 32.677 31.823 0.157 0.000 0.958 216 V HN 0.915 nan 8.190 nan 0.000 0.481 217 D N 4.028 124.544 120.400 0.193 0.000 2.340 217 D HA 0.045 4.685 4.640 0.001 0.000 0.217 217 D C 0.536 176.918 176.300 0.138 0.000 1.081 217 D CA -0.294 53.793 54.000 0.146 0.000 0.842 217 D CB 0.023 40.909 40.800 0.144 0.000 0.934 217 D HN 0.456 nan 8.370 nan 0.000 0.511 218 L N 0.882 122.160 121.223 0.092 0.000 2.554 218 L HA 0.041 4.381 4.340 0.001 0.000 0.293 218 L C -1.655 175.258 176.870 0.071 0.000 1.252 218 L CA -0.873 53.991 54.840 0.040 0.000 0.862 218 L CB -0.301 41.713 42.059 -0.074 0.000 1.113 218 L HN -0.075 nan 8.230 nan 0.000 0.510 219 P HA 0.018 nan 4.420 nan 0.000 0.271 219 P C 0.089 177.427 177.300 0.064 0.000 1.233 219 P CA -0.175 62.958 63.100 0.056 0.000 0.789 219 P CB 0.626 32.355 31.700 0.048 0.000 0.951 220 A N 1.464 124.312 122.820 0.047 0.000 1.940 220 A HA -0.016 4.305 4.320 0.001 0.000 0.219 220 A C 0.823 178.440 177.584 0.055 0.000 1.176 220 A CA 2.048 54.110 52.037 0.042 0.000 0.631 220 A CB -1.050 17.962 19.000 0.020 0.000 0.814 220 A HN 0.501 nan 8.150 nan 0.000 0.446 221 V N -2.453 117.489 119.914 0.046 0.000 2.760 221 V HA 0.653 4.774 4.120 0.001 0.000 0.309 221 V C -0.059 176.058 176.094 0.038 0.000 1.077 221 V CA -0.551 61.774 62.300 0.042 0.000 0.910 221 V CB 1.154 32.997 31.823 0.033 0.000 1.008 221 V HN 0.515 nan 8.190 nan 0.000 0.424 222 S N 2.191 117.910 115.700 0.032 0.000 2.634 222 S HA 0.330 4.800 4.470 0.001 0.000 0.261 222 S C 0.846 175.467 174.600 0.034 0.000 1.271 222 S CA -0.104 58.112 58.200 0.027 0.000 0.985 222 S CB 0.831 64.040 63.200 0.015 0.000 0.968 222 S HN 0.809 nan 8.310 nan 0.000 0.568 223 E N 0.997 121.218 120.200 0.034 0.000 2.058 223 E HA -0.196 4.154 4.350 0.001 0.000 0.194 223 E C 1.911 178.539 176.600 0.047 0.000 0.997 223 E CA 1.508 57.930 56.400 0.037 0.000 0.801 223 E CB -0.472 29.248 29.700 0.033 0.000 0.746 223 E HN 0.820 nan 8.360 nan 0.000 0.450 224 K N 0.900 121.328 120.400 0.047 0.000 2.063 224 K HA -0.186 4.135 4.320 0.001 0.000 0.208 224 K C 1.611 178.267 176.600 0.094 0.000 1.048 224 K CA 1.773 58.101 56.287 0.069 0.000 0.928 224 K CB 0.030 32.566 32.500 0.060 0.000 0.713 224 K HN -0.093 nan 8.250 nan 0.000 0.442 225 D N 0.849 121.288 120.400 0.065 0.000 2.123 225 D HA -0.172 4.469 4.640 0.001 0.000 0.196 225 D C 1.919 178.247 176.300 0.047 0.000 0.992 225 D CA 1.304 55.334 54.000 0.049 0.000 0.833 225 D CB -0.178 40.642 40.800 0.032 0.000 0.954 225 D HN 0.328 nan 8.370 nan 0.000 0.455 226 I N 0.753 121.354 120.570 0.053 0.000 2.264 226 I HA -0.305 3.865 4.170 0.001 0.000 0.248 226 I C 2.362 178.526 176.117 0.079 0.000 1.111 226 I CA 1.166 62.498 61.300 0.053 0.000 1.382 226 I CB -0.192 37.837 38.000 0.048 0.000 1.060 226 I HN 0.020 nan 8.210 nan 0.000 0.418 227 Q N 0.360 120.229 119.800 0.115 0.000 2.046 227 Q HA -0.190 4.151 4.340 0.001 0.000 0.200 227 Q C 1.805 177.962 176.000 0.261 0.000 0.975 227 Q CA 1.466 57.384 55.803 0.191 0.000 0.836 227 Q CB -0.160 28.693 28.738 0.192 0.000 0.896 227 Q HN 0.431 nan 8.270 nan 0.000 0.428 228 D N 0.851 121.386 120.400 0.224 0.000 2.144 228 D HA -0.120 4.521 4.640 0.001 0.000 0.199 228 D C 1.931 178.207 176.300 -0.040 0.000 0.984 228 D CA 0.893 54.962 54.000 0.115 0.000 0.834 228 D CB -0.126 40.709 40.800 0.060 0.000 0.955 228 D HN 0.178 nan 8.370 nan 0.000 0.465 229 L N 0.644 121.845 121.223 -0.036 0.000 2.017 229 L HA -0.198 4.143 4.340 0.001 0.000 0.208 229 L C 2.563 179.414 176.870 -0.032 0.000 1.073 229 L CA 1.176 55.975 54.840 -0.067 0.000 0.745 229 L CB -0.256 41.782 42.059 -0.036 0.000 0.894 229 L HN -0.057 nan 8.230 nan 0.000 0.432 230 K N -0.533 119.888 120.400 0.036 0.000 2.097 230 K HA -0.192 4.129 4.320 0.001 0.000 0.206 230 K C 1.782 178.423 176.600 0.068 0.000 1.049 230 K CA 1.354 57.672 56.287 0.052 0.000 0.933 230 K CB -0.915 31.637 32.500 0.087 0.000 0.717 230 K HN 0.337 nan 8.250 nan 0.000 0.442 231 F N 1.673 121.589 119.950 -0.055 0.000 2.161 231 F HA -0.053 4.474 4.527 0.001 0.000 0.300 231 F C 2.242 177.964 175.800 -0.130 0.000 1.089 231 F CA 1.445 59.377 58.000 -0.113 0.000 1.282 231 F CB -0.933 37.858 39.000 -0.348 0.000 1.010 231 F HN 0.186 nan 8.300 nan 0.000 0.485 232 G N 0.239 108.876 108.800 -0.272 0.000 2.476 232 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 232 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 232 G C 1.785 176.519 174.900 -0.277 0.000 1.164 232 G CA 1.416 46.306 45.100 -0.351 0.000 0.768 232 G HN 0.356 nan 8.290 nan 0.000 0.560 233 V N 0.824 120.636 119.914 -0.171 0.000 2.261 233 V HA -0.202 3.918 4.120 0.001 0.000 0.246 233 V C 2.692 178.708 176.094 -0.130 0.000 1.047 233 V CA 2.396 64.626 62.300 -0.117 0.000 1.015 233 V CB -0.697 31.089 31.823 -0.061 0.000 0.642 233 V HN 0.497 nan 8.190 nan 0.000 0.446 234 E N -0.270 119.850 120.200 -0.134 0.000 2.086 234 E HA -0.280 4.070 4.350 0.001 0.000 0.200 234 E C 2.207 178.692 176.600 -0.192 0.000 1.012 234 E CA 1.472 57.799 56.400 -0.121 0.000 0.812 234 E CB -0.185 29.473 29.700 -0.069 0.000 0.743 234 E HN 0.535 nan 8.360 nan 0.000 0.453 235 Q N 0.318 119.897 119.800 -0.367 0.000 2.472 235 Q HA -0.071 4.270 4.340 0.001 0.000 0.208 235 Q C -0.044 175.829 176.000 -0.211 0.000 0.958 235 Q CA 0.574 56.160 55.803 -0.362 0.000 0.932 235 Q CB 0.189 28.541 28.738 -0.644 0.000 1.007 235 Q HN 0.231 nan 8.270 nan 0.000 0.508 236 D N -0.079 120.220 120.400 -0.169 0.000 2.746 236 D HA -0.145 4.496 4.640 0.001 0.000 0.236 236 D C -0.188 176.053 176.300 -0.099 0.000 1.129 236 D CA 0.631 54.569 54.000 -0.104 0.000 0.691 236 D CB -1.368 39.392 40.800 -0.066 0.000 1.077 236 D HN 0.140 nan 8.370 nan 0.000 0.432 237 V N -2.719 117.113 119.914 -0.138 0.000 3.139 237 V HA 0.218 4.339 4.120 0.001 0.000 0.307 237 V C 1.436 177.482 176.094 -0.081 0.000 1.095 237 V CA 0.594 62.820 62.300 -0.123 0.000 1.160 237 V CB 1.054 32.770 31.823 -0.179 0.000 1.003 237 V HN 0.078 nan 8.190 nan 0.000 0.489 238 D N 1.958 122.321 120.400 -0.061 0.000 2.277 238 D HA 0.167 4.807 4.640 0.001 0.000 0.209 238 D C 0.687 176.976 176.300 -0.018 0.000 0.970 238 D CA 1.455 55.444 54.000 -0.018 0.000 0.874 238 D CB 0.455 41.266 40.800 0.018 0.000 0.982 238 D HN 0.818 nan 8.370 nan 0.000 0.504 239 M N -1.040 118.520 119.600 -0.065 0.000 2.578 239 M HA 0.506 4.987 4.480 0.001 0.000 0.276 239 M C -1.704 174.510 176.300 -0.144 0.000 1.245 239 M CA -0.924 54.349 55.300 -0.046 0.000 0.871 239 M CB 2.977 35.610 32.600 0.055 0.000 1.722 239 M HN -0.432 nan 8.290 nan 0.000 0.473 240 V N 2.464 122.345 119.914 -0.055 0.000 2.448 240 V HA 0.502 4.622 4.120 0.001 0.000 0.295 240 V C -1.199 175.000 176.094 0.174 0.000 1.025 240 V CA -0.397 61.859 62.300 -0.073 0.000 0.859 240 V CB 1.763 33.550 31.823 -0.060 0.000 0.988 240 V HN 0.662 nan 8.190 nan 0.000 0.431 241 F N 3.709 123.633 119.950 -0.044 0.000 2.368 241 F HA 0.571 5.098 4.527 0.001 0.000 0.362 241 F C 0.805 176.592 175.800 -0.021 0.000 1.137 241 F CA -1.557 56.429 58.000 -0.024 0.000 1.161 241 F CB 0.492 39.489 39.000 -0.006 0.000 1.265 241 F HN 0.508 nan 8.300 nan 0.000 0.530 242 A N 2.809 125.720 122.820 0.153 0.000 2.310 242 A HA 0.463 4.784 4.320 0.001 0.000 0.300 242 A C 0.601 178.239 177.584 0.090 0.000 1.269 242 A CA -0.310 51.776 52.037 0.083 0.000 0.909 242 A CB -0.075 18.950 19.000 0.042 0.000 1.144 242 A HN 0.578 nan 8.150 nan 0.000 0.540 243 S N 1.130 116.892 115.700 0.105 0.000 2.572 243 S HA 0.318 4.789 4.470 0.001 0.000 0.279 243 S C 0.333 175.058 174.600 0.208 0.000 1.341 243 S CA 0.205 58.488 58.200 0.138 0.000 1.043 243 S CB -0.306 62.964 63.200 0.116 0.000 0.887 243 S HN 1.188 nan 8.310 nan 0.000 0.516 244 F N 0.820 120.770 119.950 -0.001 0.000 3.071 244 F HA -0.173 4.355 4.527 0.001 0.000 0.295 244 F C -0.334 175.455 175.800 -0.018 0.000 0.919 244 F CA -0.409 57.584 58.000 -0.012 0.000 1.050 244 F CB -0.815 38.170 39.000 -0.024 0.000 1.040 244 F HN 0.387 nan 8.300 nan 0.000 0.692 245 I N 1.962 122.495 120.570 -0.063 0.000 2.452 245 I HA 0.054 4.224 4.170 0.001 0.000 0.287 245 I C 1.266 177.254 176.117 -0.215 0.000 1.079 245 I CA 0.526 61.750 61.300 -0.126 0.000 1.387 245 I CB 1.195 39.147 38.000 -0.080 0.000 1.404 245 I HN 0.351 nan 8.210 nan 0.000 0.522 246 R N 4.844 125.195 120.500 -0.250 0.000 2.419 246 R HA 0.197 4.537 4.340 0.001 0.000 0.235 246 R C -0.389 175.816 176.300 -0.159 0.000 0.899 246 R CA 0.059 56.009 56.100 -0.250 0.000 1.048 246 R CB 0.643 30.737 30.300 -0.344 0.000 1.182 246 R HN 0.627 nan 8.270 nan 0.000 0.544 247 K N -2.317 117.995 120.400 -0.147 0.000 2.625 247 K HA 0.484 4.804 4.320 0.001 0.000 0.284 247 K C -0.089 176.413 176.600 -0.164 0.000 0.984 247 K CA -0.302 55.908 56.287 -0.128 0.000 0.865 247 K CB 0.991 33.434 32.500 -0.094 0.000 1.468 247 K HN -0.148 nan 8.250 nan 0.000 0.407 248 A N 1.351 124.064 122.820 -0.178 0.000 1.915 248 A HA -0.282 4.039 4.320 0.001 0.000 0.220 248 A C 2.186 179.517 177.584 -0.422 0.000 1.198 248 A CA 2.946 54.803 52.037 -0.301 0.000 0.647 248 A CB -1.320 17.567 19.000 -0.189 0.000 0.825 248 A HN 0.926 nan 8.150 nan 0.000 0.456 249 S N 0.018 115.618 115.700 -0.167 0.000 2.382 249 S HA -0.207 4.264 4.470 0.001 0.000 0.228 249 S C 1.438 175.998 174.600 -0.065 0.000 1.027 249 S CA 1.455 59.632 58.200 -0.039 0.000 0.991 249 S CB -0.606 62.613 63.200 0.031 0.000 0.823 249 S HN 0.555 nan 8.310 nan 0.000 0.469 250 D N 1.804 122.146 120.400 -0.097 0.000 2.123 250 D HA -0.075 4.565 4.640 0.001 0.000 0.196 250 D C 2.156 178.406 176.300 -0.084 0.000 0.992 250 D CA 1.362 55.319 54.000 -0.072 0.000 0.833 250 D CB -0.650 40.100 40.800 -0.084 0.000 0.954 250 D HN 0.401 nan 8.370 nan 0.000 0.455 251 V N 1.376 121.186 119.914 -0.173 0.000 2.358 251 V HA -0.214 3.906 4.120 0.001 0.000 0.246 251 V C 2.243 178.285 176.094 -0.086 0.000 1.047 251 V CA 1.496 63.697 62.300 -0.164 0.000 1.035 251 V CB -0.610 31.061 31.823 -0.254 0.000 0.658 251 V HN 0.252 nan 8.190 nan 0.000 0.452 252 H N 0.579 119.635 119.070 -0.024 0.000 2.387 252 H HA -0.096 4.461 4.556 0.001 0.000 0.299 252 H C 2.375 177.697 175.328 -0.010 0.000 1.090 252 H CA 1.638 57.676 56.048 -0.017 0.000 1.332 252 H CB -0.187 29.564 29.762 -0.018 0.000 1.386 252 H HN 0.576 nan 8.280 nan 0.000 0.516 253 E N 0.180 120.442 120.200 0.103 0.000 2.051 253 E HA -0.098 4.253 4.350 0.001 0.000 0.192 253 E C 2.423 179.047 176.600 0.040 0.000 0.991 253 E CA 1.050 57.486 56.400 0.060 0.000 0.799 253 E CB 0.042 29.767 29.700 0.042 0.000 0.748 253 E HN 0.119 nan 8.360 nan 0.000 0.449 254 V N 1.296 121.226 119.914 0.026 0.000 2.332 254 V HA -0.286 3.834 4.120 0.001 0.000 0.248 254 V C 2.403 178.510 176.094 0.021 0.000 1.055 254 V CA 2.058 64.368 62.300 0.016 0.000 1.038 254 V CB -0.477 31.349 31.823 0.005 0.000 0.651 254 V HN 0.142 nan 8.190 nan 0.000 0.450 255 R N 0.888 121.411 120.500 0.037 0.000 2.105 255 R HA -0.163 4.178 4.340 0.001 0.000 0.239 255 R C 2.446 178.765 176.300 0.032 0.000 1.135 255 R CA 2.105 58.230 56.100 0.042 0.000 0.967 255 R CB -0.548 29.797 30.300 0.076 0.000 0.861 255 R HN 0.350 nan 8.270 nan 0.000 0.442 256 K N -0.793 119.629 120.400 0.038 0.000 2.097 256 K HA 0.015 4.336 4.320 0.001 0.000 0.205 256 K C 1.944 178.555 176.600 0.020 0.000 1.050 256 K CA 1.356 57.658 56.287 0.026 0.000 0.938 256 K CB -0.516 32.002 32.500 0.029 0.000 0.718 256 K HN 0.223 nan 8.250 nan 0.000 0.442 257 V N 1.221 121.147 119.914 0.020 0.000 2.358 257 V HA -0.122 3.999 4.120 0.001 0.000 0.246 257 V C 2.381 178.480 176.094 0.009 0.000 1.047 257 V CA 1.932 64.242 62.300 0.017 0.000 1.035 257 V CB -0.463 31.370 31.823 0.017 0.000 0.658 257 V HN 0.364 nan 8.190 nan 0.000 0.452 258 L N -0.134 121.091 121.223 0.003 0.000 2.201 258 L HA 0.159 4.499 4.340 0.001 0.000 0.212 258 L C 1.538 178.407 176.870 -0.001 0.000 1.105 258 L CA 0.905 55.742 54.840 -0.006 0.000 0.775 258 L CB -1.113 40.940 42.059 -0.011 0.000 0.913 258 L HN 0.573 nan 8.230 nan 0.000 0.440 259 G N 0.122 108.925 108.800 0.005 0.000 2.692 259 G HA2 -0.365 3.595 3.960 0.001 0.000 0.248 259 G HA3 -0.365 3.595 3.960 0.001 0.000 0.248 259 G C 0.484 175.386 174.900 0.002 0.000 1.340 259 G CA 0.414 45.517 45.100 0.005 0.000 0.896 259 G HN 0.310 nan 8.290 nan 0.000 0.570 260 E N -0.202 119.999 120.200 0.002 0.000 2.106 260 E HA -0.127 4.224 4.350 0.001 0.000 0.192 260 E C 2.898 179.497 176.600 -0.001 0.000 0.984 260 E CA 1.687 58.087 56.400 0.001 0.000 0.806 260 E CB -0.115 29.585 29.700 0.001 0.000 0.750 260 E HN 0.374 nan 8.360 nan 0.000 0.458 261 K N -0.842 119.557 120.400 -0.002 0.000 2.103 261 K HA -0.070 4.250 4.320 0.001 0.000 0.207 261 K C 1.852 178.445 176.600 -0.011 0.000 1.048 261 K CA 1.053 57.337 56.287 -0.006 0.000 0.930 261 K CB -0.598 31.899 32.500 -0.006 0.000 0.716 261 K HN 0.340 nan 8.250 nan 0.000 0.444 262 G N 1.558 110.352 108.800 -0.011 0.000 3.707 262 G HA2 0.055 4.015 3.960 0.001 0.000 0.286 262 G HA3 0.055 4.015 3.960 0.001 0.000 0.286 262 G C 1.016 175.912 174.900 -0.007 0.000 1.112 262 G CA -0.105 44.985 45.100 -0.016 0.000 0.861 262 G HN 0.588 nan 8.290 nan 0.000 0.534 263 K N -0.391 120.008 120.400 -0.001 0.000 2.280 263 K HA 0.005 4.326 4.320 0.001 0.000 0.202 263 K C 1.199 177.806 176.600 0.011 0.000 1.047 263 K CA 0.915 57.205 56.287 0.006 0.000 0.942 263 K CB 0.034 32.537 32.500 0.005 0.000 0.739 263 K HN 0.051 nan 8.250 nan 0.000 0.457 264 N N 0.641 119.347 118.700 0.010 0.000 2.280 264 N HA 0.167 4.907 4.740 0.001 0.000 0.192 264 N C -0.112 175.411 175.510 0.022 0.000 1.109 264 N CA 0.097 53.159 53.050 0.020 0.000 0.855 264 N CB 0.365 38.863 38.487 0.020 0.000 0.974 264 N HN 0.207 nan 8.380 nan 0.000 0.482 265 I N 2.017 122.591 120.570 0.007 0.000 2.471 265 I HA 0.010 4.180 4.170 0.001 0.000 0.286 265 I C 0.340 176.465 176.117 0.014 0.000 1.079 265 I CA -0.291 61.009 61.300 0.001 0.000 1.398 265 I CB 0.570 38.554 38.000 -0.027 0.000 1.403 265 I HN -0.355 nan 8.210 nan 0.000 0.530 266 K N 7.565 127.982 120.400 0.028 0.000 2.322 266 K HA 0.415 4.736 4.320 0.001 0.000 0.283 266 K C -0.366 176.261 176.600 0.045 0.000 1.042 266 K CA -0.199 56.113 56.287 0.041 0.000 0.958 266 K CB 1.062 33.596 32.500 0.057 0.000 0.984 266 K HN 0.505 nan 8.250 nan 0.000 0.473 267 I N 4.920 125.511 120.570 0.035 0.000 2.306 267 I HA 0.146 4.317 4.170 0.001 0.000 0.288 267 I C -0.042 176.095 176.117 0.033 0.000 1.036 267 I CA -0.665 60.657 61.300 0.037 0.000 1.221 267 I CB 0.648 38.655 38.000 0.012 0.000 1.385 267 I HN 0.177 nan 8.210 nan 0.000 0.472 268 I N 5.302 125.925 120.570 0.089 0.000 2.297 268 I HA 0.189 4.359 4.170 0.001 0.000 0.291 268 I C 0.518 176.641 176.117 0.009 0.000 1.033 268 I CA -0.028 61.287 61.300 0.026 0.000 1.253 268 I CB 0.845 38.854 38.000 0.015 0.000 1.396 268 I HN 0.434 nan 8.210 nan 0.000 0.476 269 S N 6.678 122.354 115.700 -0.039 0.000 2.523 269 S HA 0.289 4.759 4.470 0.001 0.000 0.275 269 S C 0.255 174.837 174.600 -0.031 0.000 1.281 269 S CA -0.647 57.532 58.200 -0.034 0.000 1.050 269 S CB 0.700 63.857 63.200 -0.072 0.000 0.937 269 S HN 0.369 nan 8.310 nan 0.000 0.492 270 K N 2.788 123.187 120.400 -0.002 0.000 2.276 270 K HA 0.324 4.645 4.320 0.001 0.000 0.285 270 K C -0.631 175.982 176.600 0.022 0.000 1.062 270 K CA -0.387 55.904 56.287 0.007 0.000 0.918 270 K CB 0.517 33.044 32.500 0.044 0.000 1.055 270 K HN 0.400 nan 8.250 nan 0.000 0.477 271 I N 3.703 124.287 120.570 0.023 0.000 2.297 271 I HA 0.098 4.269 4.170 0.001 0.000 0.291 271 I C 0.651 176.786 176.117 0.029 0.000 1.033 271 I CA 0.346 61.663 61.300 0.028 0.000 1.253 271 I CB 0.831 38.869 38.000 0.064 0.000 1.396 271 I HN 0.798 nan 8.210 nan 0.000 0.476 272 E N 4.028 124.256 120.200 0.045 0.000 2.606 272 E HA 0.073 4.424 4.350 0.001 0.000 0.224 272 E C -0.129 176.543 176.600 0.120 0.000 0.930 272 E CA -0.060 56.404 56.400 0.106 0.000 1.125 272 E CB 0.839 30.668 29.700 0.215 0.000 1.123 272 E HN 0.749 nan 8.360 nan 0.000 0.522 273 N N -1.127 117.604 118.700 0.052 0.000 2.853 273 N HA -0.014 4.726 4.740 0.001 0.000 0.258 273 N C 0.468 176.002 175.510 0.040 0.000 1.444 273 N CA -0.504 52.589 53.050 0.071 0.000 0.837 273 N CB 0.548 39.091 38.487 0.094 0.000 1.489 273 N HN -0.204 nan 8.380 nan 0.000 0.529 274 H N 0.018 119.079 119.070 -0.014 0.000 2.352 274 H HA -0.110 4.446 4.556 0.001 0.000 0.299 274 H C 1.093 176.395 175.328 -0.044 0.000 1.097 274 H CA 2.451 58.483 56.048 -0.026 0.000 1.311 274 H CB 0.222 29.973 29.762 -0.019 0.000 1.377 274 H HN 0.814 nan 8.280 nan 0.000 0.504 275 E N -0.382 119.877 120.200 0.098 0.000 2.118 275 E HA -0.112 4.239 4.350 0.001 0.000 0.195 275 E C 2.402 178.955 176.600 -0.077 0.000 0.992 275 E CA 0.983 57.393 56.400 0.018 0.000 0.804 275 E CB -0.325 29.357 29.700 -0.030 0.000 0.741 275 E HN 0.604 nan 8.360 nan 0.000 0.458 276 G N 0.075 108.815 108.800 -0.100 0.000 2.422 276 G HA2 -0.180 3.781 3.960 0.001 0.000 0.218 276 G HA3 -0.180 3.781 3.960 0.001 0.000 0.218 276 G C 1.597 176.493 174.900 -0.006 0.000 1.140 276 G CA 0.745 45.803 45.100 -0.070 0.000 0.775 276 G HN 0.205 nan 8.290 nan 0.000 0.545 277 V N 0.835 120.703 119.914 -0.077 0.000 2.307 277 V HA -0.175 3.945 4.120 0.001 0.000 0.245 277 V C 3.155 179.185 176.094 -0.107 0.000 1.045 277 V CA 1.928 64.161 62.300 -0.111 0.000 1.024 277 V CB -0.715 30.980 31.823 -0.213 0.000 0.651 277 V HN 0.330 nan 8.190 nan 0.000 0.449 278 R N -0.186 120.189 120.500 -0.208 0.000 2.120 278 R HA -0.020 4.320 4.340 0.001 0.000 0.234 278 R C 1.945 178.215 176.300 -0.049 0.000 1.123 278 R CA 1.162 57.165 56.100 -0.162 0.000 0.975 278 R CB -0.751 29.431 30.300 -0.195 0.000 0.866 278 R HN 0.659 nan 8.270 nan 0.000 0.446 279 R N -0.507 119.975 120.500 -0.029 0.000 2.609 279 R HA 0.269 4.610 4.340 0.001 0.000 0.326 279 R C 1.090 177.388 176.300 -0.004 0.000 1.090 279 R CA -0.256 55.831 56.100 -0.021 0.000 1.072 279 R CB -0.171 30.101 30.300 -0.047 0.000 1.330 279 R HN 0.248 nan 8.270 nan 0.000 0.572 280 F N 2.222 122.109 119.950 -0.104 0.000 2.120 280 F HA -0.265 4.262 4.527 0.001 0.000 0.300 280 F C 1.382 177.133 175.800 -0.082 0.000 1.095 280 F CA 1.871 59.813 58.000 -0.098 0.000 1.249 280 F CB 0.168 39.108 39.000 -0.100 0.000 0.995 280 F HN 0.021 nan 8.300 nan 0.000 0.480 281 D N 0.294 120.653 120.400 -0.068 0.000 2.084 281 D HA -0.231 4.409 4.640 0.001 0.000 0.194 281 D C 2.215 178.395 176.300 -0.201 0.000 0.990 281 D CA 1.883 55.798 54.000 -0.141 0.000 0.826 281 D CB -0.749 40.039 40.800 -0.020 0.000 0.971 281 D HN 0.663 nan 8.370 nan 0.000 0.453 282 E N 0.768 120.885 120.200 -0.140 0.000 2.118 282 E HA -0.171 4.179 4.350 0.001 0.000 0.195 282 E C 2.272 178.752 176.600 -0.200 0.000 0.992 282 E CA 0.905 57.225 56.400 -0.133 0.000 0.804 282 E CB -0.552 29.095 29.700 -0.089 0.000 0.741 282 E HN 0.287 nan 8.360 nan 0.000 0.458 283 I N 0.630 121.047 120.570 -0.255 0.000 2.179 283 I HA -0.228 3.942 4.170 0.001 0.000 0.242 283 I C 2.557 178.456 176.117 -0.363 0.000 1.088 283 I CA 0.666 61.789 61.300 -0.296 0.000 1.357 283 I CB -0.270 37.567 38.000 -0.272 0.000 1.051 283 I HN 0.169 nan 8.210 nan 0.000 0.409 284 L N 0.966 121.856 121.223 -0.555 0.000 2.042 284 L HA -0.238 4.103 4.340 0.001 0.000 0.210 284 L C 2.485 179.192 176.870 -0.273 0.000 1.076 284 L CA 1.957 56.481 54.840 -0.527 0.000 0.749 284 L CB -0.917 40.698 42.059 -0.740 0.000 0.893 284 L HN 0.243 nan 8.230 nan 0.000 0.432 285 E N -0.258 119.813 120.200 -0.215 0.000 2.153 285 E HA -0.193 4.158 4.350 0.001 0.000 0.194 285 E C 1.898 178.452 176.600 -0.077 0.000 0.988 285 E CA 1.317 57.648 56.400 -0.115 0.000 0.811 285 E CB 0.027 29.678 29.700 -0.081 0.000 0.746 285 E HN 0.612 nan 8.360 nan 0.000 0.466 286 A N 0.289 123.045 122.820 -0.106 0.000 2.081 286 A HA 0.089 4.410 4.320 0.001 0.000 0.214 286 A C 1.443 178.987 177.584 -0.068 0.000 1.158 286 A CA 0.233 52.232 52.037 -0.064 0.000 0.724 286 A CB 0.131 18.996 19.000 -0.226 0.000 0.826 286 A HN 0.145 nan 8.150 nan 0.000 0.463 287 S N 0.384 116.018 115.700 -0.111 0.000 2.669 287 S HA 0.274 4.744 4.470 0.001 0.000 0.270 287 S C -0.023 174.540 174.600 -0.061 0.000 1.225 287 S CA -0.474 57.672 58.200 -0.089 0.000 0.991 287 S CB 0.855 63.981 63.200 -0.123 0.000 0.987 287 S HN 0.390 nan 8.310 nan 0.000 0.552 288 D N 0.434 120.810 120.400 -0.040 0.000 2.350 288 D HA 0.284 4.925 4.640 0.001 0.000 0.213 288 D C 0.798 177.055 176.300 -0.073 0.000 1.031 288 D CA 0.454 54.436 54.000 -0.030 0.000 0.861 288 D CB 0.428 41.228 40.800 0.000 0.000 0.926 288 D HN 0.656 nan 8.370 nan 0.000 0.520 289 G N -0.012 108.735 108.800 -0.088 0.000 2.322 289 G HA2 0.369 4.329 3.960 0.001 0.000 0.295 289 G HA3 0.369 4.329 3.960 0.001 0.000 0.295 289 G C -1.960 172.879 174.900 -0.102 0.000 1.369 289 G CA -0.685 44.345 45.100 -0.116 0.000 0.821 289 G HN -0.061 nan 8.290 nan 0.000 0.536 290 I N 0.628 121.139 120.570 -0.098 0.000 2.619 290 I HA 0.492 4.663 4.170 0.001 0.000 0.292 290 I C -0.388 175.662 176.117 -0.111 0.000 1.100 290 I CA -0.637 60.630 61.300 -0.055 0.000 1.043 290 I CB 1.999 40.051 38.000 0.087 0.000 1.239 290 I HN 0.669 nan 8.210 nan 0.000 0.420 291 M N 6.011 125.533 119.600 -0.130 0.000 2.149 291 M HA 0.404 4.885 4.480 0.001 0.000 0.342 291 M C -1.108 175.147 176.300 -0.076 0.000 1.068 291 M CA -0.700 54.499 55.300 -0.168 0.000 0.991 291 M CB 1.406 33.846 32.600 -0.267 0.000 1.596 291 M HN 0.281 nan 8.290 nan 0.000 0.439 292 V N 5.589 125.461 119.914 -0.071 0.000 2.341 292 V HA 0.164 4.285 4.120 0.001 0.000 0.248 292 V C 0.696 176.768 176.094 -0.038 0.000 1.107 292 V CA -0.213 62.056 62.300 -0.052 0.000 1.069 292 V CB -0.140 31.648 31.823 -0.060 0.000 1.177 292 V HN 0.885 nan 8.190 nan 0.000 0.492 293 A N 5.938 128.747 122.820 -0.019 0.000 3.056 293 A HA 0.277 4.598 4.320 0.001 0.000 0.274 293 A C 1.584 179.179 177.584 0.019 0.000 1.661 293 A CA -0.324 51.715 52.037 0.004 0.000 1.363 293 A CB -0.441 18.574 19.000 0.026 0.000 1.139 293 A HN 0.829 nan 8.150 nan 0.000 0.598 294 R N 0.918 121.425 120.500 0.013 0.000 2.120 294 R HA -0.138 4.202 4.340 0.001 0.000 0.234 294 R C 2.277 178.597 176.300 0.033 0.000 1.123 294 R CA 1.333 57.444 56.100 0.020 0.000 0.975 294 R CB -0.173 30.139 30.300 0.019 0.000 0.866 294 R HN 0.668 nan 8.270 nan 0.000 0.446 295 G N 1.682 110.505 108.800 0.038 0.000 2.552 295 G HA2 -0.288 3.672 3.960 0.001 0.000 0.216 295 G HA3 -0.288 3.672 3.960 0.001 0.000 0.216 295 G C 0.885 175.816 174.900 0.050 0.000 1.240 295 G CA 1.144 46.270 45.100 0.043 0.000 0.796 295 G HN 0.189 nan 8.290 nan 0.000 0.568 296 D N -0.137 120.298 120.400 0.060 0.000 2.178 296 D HA -0.041 4.599 4.640 0.001 0.000 0.202 296 D C 2.395 178.749 176.300 0.089 0.000 0.974 296 D CA 0.265 54.310 54.000 0.075 0.000 0.841 296 D CB -0.215 40.637 40.800 0.087 0.000 0.953 296 D HN 0.185 nan 8.370 nan 0.000 0.478 297 L N 0.579 121.846 121.223 0.073 0.000 2.083 297 L HA -0.000 4.340 4.340 0.001 0.000 0.209 297 L C 2.076 178.986 176.870 0.067 0.000 1.083 297 L CA 1.691 56.570 54.840 0.065 0.000 0.752 297 L CB -0.640 41.438 42.059 0.031 0.000 0.899 297 L HN 0.052 nan 8.230 nan 0.000 0.433 298 G N -1.322 107.512 108.800 0.057 0.000 2.848 298 G HA2 -0.072 3.889 3.960 0.001 0.000 0.208 298 G HA3 -0.072 3.889 3.960 0.001 0.000 0.208 298 G C 1.445 176.379 174.900 0.057 0.000 1.152 298 G CA 0.594 45.726 45.100 0.053 0.000 0.789 298 G HN 0.471 nan 8.290 nan 0.000 0.531 299 I N -0.253 120.365 120.570 0.079 0.000 2.494 299 I HA 0.043 4.214 4.170 0.001 0.000 0.250 299 I C 2.445 178.694 176.117 0.220 0.000 1.112 299 I CA 0.449 61.809 61.300 0.100 0.000 1.438 299 I CB 0.083 38.144 38.000 0.102 0.000 1.111 299 I HN 0.008 nan 8.210 nan 0.000 0.431 300 E N 1.483 121.803 120.200 0.200 0.000 2.046 300 E HA -0.022 4.329 4.350 0.001 0.000 0.190 300 E C 0.966 177.691 176.600 0.209 0.000 0.982 300 E CA 0.887 57.416 56.400 0.216 0.000 0.800 300 E CB -0.002 29.796 29.700 0.163 0.000 0.756 300 E HN 0.506 nan 8.360 nan 0.000 0.449 301 I N -1.105 119.554 120.570 0.149 0.000 2.607 301 I HA 0.421 4.592 4.170 0.001 0.000 0.305 301 I C -2.594 173.583 176.117 0.101 0.000 0.995 301 I CA -2.906 58.468 61.300 0.122 0.000 1.148 301 I CB 1.621 39.667 38.000 0.078 0.000 1.323 301 I HN -0.329 nan 8.210 nan 0.000 0.461 302 P HA -0.008 nan 4.420 nan 0.000 0.261 302 P C 0.424 177.756 177.300 0.054 0.000 1.173 302 P CA 0.270 63.408 63.100 0.063 0.000 0.760 302 P CB 0.907 32.642 31.700 0.059 0.000 0.783 303 A N 4.936 127.783 122.820 0.044 0.000 1.978 303 A HA -0.217 4.104 4.320 0.001 0.000 0.220 303 A C 1.805 179.441 177.584 0.086 0.000 1.170 303 A CA 1.601 53.669 52.037 0.052 0.000 0.636 303 A CB -0.875 18.145 19.000 0.034 0.000 0.810 303 A HN 0.665 nan 8.150 nan 0.000 0.448 304 E N 0.468 120.725 120.200 0.095 0.000 2.409 304 E HA -0.158 4.192 4.350 0.001 0.000 0.198 304 E C 1.125 177.863 176.600 0.231 0.000 1.024 304 E CA 1.217 57.714 56.400 0.162 0.000 0.861 304 E CB -0.263 29.512 29.700 0.125 0.000 0.788 304 E HN 0.660 nan 8.360 nan 0.000 0.521 305 K N 0.556 121.008 120.400 0.086 0.000 2.374 305 K HA 0.151 4.471 4.320 0.001 0.000 0.196 305 K C 1.869 178.374 176.600 -0.159 0.000 1.023 305 K CA 0.131 56.374 56.287 -0.073 0.000 1.103 305 K CB 0.663 33.127 32.500 -0.060 0.000 0.848 305 K HN -0.065 nan 8.250 nan 0.000 0.528 306 V N 1.791 121.697 119.914 -0.013 0.000 2.407 306 V HA -0.256 3.865 4.120 0.001 0.000 0.248 306 V C 2.019 178.085 176.094 -0.047 0.000 1.055 306 V CA 1.826 64.114 62.300 -0.021 0.000 1.049 306 V CB -0.603 31.246 31.823 0.043 0.000 0.662 306 V HN 0.360 nan 8.190 nan 0.000 0.455 307 F N 0.049 119.981 119.950 -0.030 0.000 2.216 307 F HA -0.114 4.414 4.527 0.001 0.000 0.300 307 F C 1.878 177.647 175.800 -0.052 0.000 1.085 307 F CA 1.440 59.418 58.000 -0.036 0.000 1.326 307 F CB -0.953 38.032 39.000 -0.026 0.000 1.027 307 F HN 0.083 nan 8.300 nan 0.000 0.497 308 L N 0.932 121.510 121.223 -1.075 0.000 2.027 308 L HA -0.087 4.253 4.340 0.001 0.000 0.206 308 L C 3.038 179.679 176.870 -0.381 0.000 1.074 308 L CA 1.178 55.568 54.840 -0.749 0.000 0.745 308 L CB -1.251 40.378 42.059 -0.717 0.000 0.898 308 L HN 0.328 nan 8.230 nan 0.000 0.433 309 A N -0.381 122.251 122.820 -0.314 0.000 1.902 309 A HA -0.281 4.040 4.320 0.001 0.000 0.217 309 A C 2.298 179.739 177.584 -0.239 0.000 1.181 309 A CA 1.923 53.806 52.037 -0.255 0.000 0.623 309 A CB -0.604 18.281 19.000 -0.192 0.000 0.818 309 A HN 0.521 nan 8.150 nan 0.000 0.443 310 Q N -0.156 119.544 119.800 -0.166 0.000 2.046 310 Q HA -0.208 4.133 4.340 0.001 0.000 0.200 310 Q C 1.950 177.876 176.000 -0.125 0.000 0.975 310 Q CA 1.915 57.648 55.803 -0.118 0.000 0.836 310 Q CB -0.162 28.553 28.738 -0.039 0.000 0.896 310 Q HN 0.667 nan 8.270 nan 0.000 0.428 311 K N 0.077 120.413 120.400 -0.106 0.000 2.057 311 K HA -0.124 4.196 4.320 0.001 0.000 0.206 311 K C 2.217 178.734 176.600 -0.138 0.000 1.050 311 K CA 1.347 57.583 56.287 -0.085 0.000 0.935 311 K CB -0.237 32.244 32.500 -0.033 0.000 0.715 311 K HN 0.313 nan 8.250 nan 0.000 0.439 312 M N 0.817 120.296 119.600 -0.202 0.000 2.117 312 M HA -0.161 4.320 4.480 0.001 0.000 0.262 312 M C 1.862 177.962 176.300 -0.334 0.000 1.065 312 M CA 1.821 56.974 55.300 -0.245 0.000 1.114 312 M CB -0.246 32.183 32.600 -0.285 0.000 1.361 312 M HN 0.211 nan 8.290 nan 0.000 0.408 313 M N -0.502 118.837 119.600 -0.435 0.000 2.156 313 M HA -0.134 4.346 4.480 0.001 0.000 0.264 313 M C 2.154 178.334 176.300 -0.201 0.000 1.067 313 M CA 1.258 56.202 55.300 -0.593 0.000 1.131 313 M CB -0.384 31.855 32.600 -0.601 0.000 1.368 313 M HN 0.231 nan 8.290 nan 0.000 0.416 314 I N 0.051 120.542 120.570 -0.133 0.000 2.179 314 I HA -0.211 3.960 4.170 0.001 0.000 0.242 314 I C 2.604 178.699 176.117 -0.037 0.000 1.088 314 I CA 1.495 62.761 61.300 -0.057 0.000 1.357 314 I CB -0.992 36.979 38.000 -0.048 0.000 1.051 314 I HN 0.361 nan 8.210 nan 0.000 0.409 315 G N 0.746 109.511 108.800 -0.058 0.000 2.446 315 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 315 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 315 G C 1.811 176.706 174.900 -0.008 0.000 1.168 315 G CA 0.562 45.639 45.100 -0.039 0.000 0.771 315 G HN 0.303 nan 8.290 nan 0.000 0.551 316 R N -0.735 119.769 120.500 0.007 0.000 2.115 316 R HA -0.007 4.333 4.340 0.001 0.000 0.230 316 R C 2.645 179.022 176.300 0.129 0.000 1.111 316 R CA 1.022 57.181 56.100 0.097 0.000 0.976 316 R CB -0.544 29.889 30.300 0.221 0.000 0.870 316 R HN 0.394 nan 8.270 nan 0.000 0.445 317 C N 0.557 119.935 119.300 0.130 0.000 2.476 317 C HA -0.023 4.438 4.460 0.001 0.000 0.278 317 C C 2.182 177.188 174.990 0.027 0.000 1.274 317 C CA 0.611 59.679 59.018 0.083 0.000 1.713 317 C CB -1.126 26.659 27.740 0.075 0.000 2.039 317 C HN 0.573 nan 8.230 nan 0.000 0.484 318 N N 0.223 118.933 118.700 0.017 0.000 2.104 318 N HA -0.212 4.528 4.740 0.001 0.000 0.190 318 N C 2.021 177.530 175.510 -0.002 0.000 1.024 318 N CA 1.049 54.102 53.050 0.006 0.000 0.853 318 N CB -0.251 38.239 38.487 0.005 0.000 1.008 318 N HN 0.516 nan 8.380 nan 0.000 0.424 319 R N 0.903 121.406 120.500 0.005 0.000 2.092 319 R HA -0.010 4.331 4.340 0.001 0.000 0.231 319 R C 1.916 178.213 176.300 -0.006 0.000 1.119 319 R CA 1.222 57.321 56.100 -0.001 0.000 0.970 319 R CB -0.037 30.267 30.300 0.008 0.000 0.864 319 R HN 0.155 nan 8.270 nan 0.000 0.440 320 A N -0.430 122.392 122.820 0.004 0.000 2.123 320 A HA 0.190 4.511 4.320 0.001 0.000 0.214 320 A C 1.355 178.934 177.584 -0.007 0.000 1.152 320 A CA 0.780 52.814 52.037 -0.004 0.000 0.728 320 A CB -0.120 18.875 19.000 -0.008 0.000 0.814 320 A HN 0.544 nan 8.150 nan 0.000 0.464 321 G N -0.618 108.178 108.800 -0.007 0.000 2.160 321 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 321 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 321 G C 0.016 174.950 174.900 0.056 0.000 1.022 321 G CA 0.604 45.711 45.100 0.011 0.000 0.741 321 G HN 0.572 nan 8.290 nan 0.000 0.508 322 K N 0.577 120.978 120.400 0.003 0.000 2.164 322 K HA 0.508 4.828 4.320 0.001 0.000 0.258 322 K C -2.450 174.063 176.600 -0.145 0.000 0.951 322 K CA -2.236 54.019 56.287 -0.054 0.000 0.844 322 K CB 1.936 34.401 32.500 -0.058 0.000 1.099 322 K HN -0.045 nan 8.250 nan 0.000 0.435 323 P HA -0.036 nan 4.420 nan 0.000 0.266 323 P C -1.033 176.148 177.300 -0.198 0.000 1.195 323 P CA -0.274 62.600 63.100 -0.377 0.000 0.768 323 P CB 0.683 32.015 31.700 -0.614 0.000 0.838 324 V N 4.962 124.792 119.914 -0.140 0.000 2.709 324 V HA 0.505 4.626 4.120 0.001 0.000 0.308 324 V C -0.802 175.229 176.094 -0.104 0.000 1.062 324 V CA -0.956 61.287 62.300 -0.094 0.000 0.901 324 V CB 1.397 33.197 31.823 -0.039 0.000 1.003 324 V HN 0.292 nan 8.190 nan 0.000 0.425 325 I N 6.334 126.827 120.570 -0.128 0.000 2.354 325 I HA 0.419 4.590 4.170 0.001 0.000 0.292 325 I C -0.081 175.977 176.117 -0.097 0.000 0.989 325 I CA -0.367 60.853 61.300 -0.132 0.000 1.188 325 I CB 1.527 39.384 38.000 -0.238 0.000 1.342 325 I HN 0.626 nan 8.210 nan 0.000 0.457 326 C N 6.456 125.720 119.300 -0.060 0.000 2.369 326 C HA 0.867 5.328 4.460 0.001 0.000 0.358 326 C C 0.360 175.332 174.990 -0.029 0.000 1.274 326 C CA -0.047 58.948 59.018 -0.038 0.000 1.935 326 C CB -0.333 27.397 27.740 -0.017 0.000 2.431 326 C HN 0.891 nan 8.230 nan 0.000 0.545 327 A N 4.292 127.098 122.820 -0.022 0.000 2.539 327 A HA 0.890 5.211 4.320 0.001 0.000 0.296 327 A C -0.237 177.355 177.584 0.013 0.000 1.073 327 A CA -0.145 51.888 52.037 -0.006 0.000 0.700 327 A CB 1.100 20.085 19.000 -0.025 0.000 1.296 327 A HN 1.432 nan 8.150 nan 0.000 0.405 328 T N 1.686 116.257 114.554 0.028 0.000 0.822 328 T HA -0.070 4.280 4.350 0.001 0.000 0.747 328 T C -0.020 174.701 174.700 0.035 0.000 0.986 328 T CA 0.696 62.818 62.100 0.037 0.000 3.943 328 T CB -1.422 67.469 68.868 0.037 0.000 2.233 328 T HN 1.584 nan 8.240 nan 0.000 0.397 329 Q N 0.085 119.907 119.800 0.038 0.000 2.506 329 Q HA -0.232 4.108 4.340 0.001 0.000 0.268 329 Q C 1.425 177.443 176.000 0.031 0.000 1.002 329 Q CA 1.404 57.228 55.803 0.035 0.000 1.052 329 Q CB -1.239 27.518 28.738 0.031 0.000 1.383 329 Q HN 0.847 nan 8.270 nan 0.000 0.537 330 M N -0.480 119.139 119.600 0.033 0.000 2.156 330 M HA -0.075 4.406 4.480 0.001 0.000 0.264 330 M C 1.284 177.601 176.300 0.029 0.000 1.067 330 M CA 1.491 56.809 55.300 0.029 0.000 1.131 330 M CB 0.171 32.789 32.600 0.030 0.000 1.368 330 M HN 0.239 nan 8.290 nan 0.000 0.416 331 L N -0.433 120.811 121.223 0.035 0.000 3.255 331 L HA 0.162 4.503 4.340 0.001 0.000 0.293 331 L C 1.193 178.087 176.870 0.040 0.000 1.302 331 L CA -0.366 54.495 54.840 0.035 0.000 0.977 331 L CB 0.224 42.307 42.059 0.040 0.000 1.390 331 L HN 0.090 nan 8.230 nan 0.000 0.588 332 E N 1.396 121.618 120.200 0.037 0.000 2.114 332 E HA -0.277 4.073 4.350 0.001 0.000 0.199 332 E C 2.165 178.791 176.600 0.043 0.000 1.008 332 E CA 2.243 58.667 56.400 0.040 0.000 0.810 332 E CB 0.160 29.880 29.700 0.033 0.000 0.739 332 E HN 0.528 nan 8.360 nan 0.000 0.456 333 S N -0.650 115.071 115.700 0.035 0.000 2.447 333 S HA -0.126 4.345 4.470 0.001 0.000 0.233 333 S C 1.827 176.459 174.600 0.054 0.000 1.006 333 S CA 1.118 59.340 58.200 0.036 0.000 0.957 333 S CB -0.315 62.896 63.200 0.019 0.000 0.773 333 S HN 0.309 nan 8.310 nan 0.000 0.507 334 M N 0.648 120.284 119.600 0.060 0.000 2.659 334 M HA 0.213 4.694 4.480 0.001 0.000 0.243 334 M C 1.428 177.832 176.300 0.174 0.000 1.111 334 M CA 0.429 55.786 55.300 0.095 0.000 1.070 334 M CB -0.630 32.013 32.600 0.072 0.000 1.525 334 M HN 0.333 nan 8.290 nan 0.000 0.517 335 I N 0.394 121.037 120.570 0.123 0.000 2.226 335 I HA -0.298 3.873 4.170 0.001 0.000 0.245 335 I C 2.384 178.586 176.117 0.142 0.000 1.100 335 I CA 1.294 62.659 61.300 0.109 0.000 1.374 335 I CB -0.205 37.835 38.000 0.068 0.000 1.057 335 I HN 0.250 nan 8.210 nan 0.000 0.413 336 K N 0.227 120.720 120.400 0.155 0.000 2.350 336 K HA 0.232 4.553 4.320 0.001 0.000 0.196 336 K C 0.379 177.152 176.600 0.288 0.000 1.084 336 K CA 0.444 56.837 56.287 0.176 0.000 0.967 336 K CB 0.375 32.933 32.500 0.098 0.000 0.950 336 K HN 0.222 nan 8.250 nan 0.000 0.512 337 K N 1.667 122.172 120.400 0.174 0.000 2.156 337 K HA 0.205 4.526 4.320 0.001 0.000 0.254 337 K C -1.988 174.407 176.600 -0.341 0.000 0.950 337 K CA -1.911 54.368 56.287 -0.012 0.000 0.849 337 K CB 1.805 34.286 32.500 -0.030 0.000 1.100 337 K HN -0.241 nan 8.250 nan 0.000 0.434 338 P HA -0.087 nan 4.420 nan 0.000 0.223 338 P C -0.400 176.669 177.300 -0.385 0.000 1.151 338 P CA 0.988 63.475 63.100 -1.021 0.000 0.787 338 P CB 0.472 31.658 31.700 -0.858 0.000 0.788 339 R N 0.272 120.635 120.500 -0.229 0.000 2.740 339 R HA 0.512 4.853 4.340 0.001 0.000 0.282 339 R C -2.449 173.810 176.300 -0.067 0.000 0.969 339 R CA -2.256 53.775 56.100 -0.115 0.000 0.918 339 R CB 1.336 31.582 30.300 -0.090 0.000 1.175 339 R HN 0.011 nan 8.270 nan 0.000 0.464 340 P HA 0.096 nan 4.420 nan 0.000 0.279 340 P C -0.428 176.863 177.300 -0.015 0.000 1.276 340 P CA -0.456 62.634 63.100 -0.016 0.000 0.801 340 P CB 0.678 32.375 31.700 -0.004 0.000 1.127 341 T N -1.718 112.832 114.554 -0.007 0.000 2.816 341 T HA 0.254 4.604 4.350 0.001 0.000 0.282 341 T C 1.428 176.123 174.700 -0.008 0.000 0.993 341 T CA -0.651 61.444 62.100 -0.008 0.000 0.994 341 T CB 0.510 69.376 68.868 -0.004 0.000 1.025 341 T HN 0.167 nan 8.240 nan 0.000 0.529 342 R N 0.624 121.119 120.500 -0.009 0.000 2.115 342 R HA 0.079 4.420 4.340 0.001 0.000 0.230 342 R C 2.600 178.894 176.300 -0.009 0.000 1.111 342 R CA 1.347 57.441 56.100 -0.010 0.000 0.976 342 R CB -1.679 28.614 30.300 -0.012 0.000 0.870 342 R HN 0.842 nan 8.270 nan 0.000 0.445 343 A N 1.160 123.975 122.820 -0.009 0.000 2.015 343 A HA -0.132 4.189 4.320 0.001 0.000 0.219 343 A C 1.939 179.521 177.584 -0.004 0.000 1.163 343 A CA 1.190 53.221 52.037 -0.009 0.000 0.646 343 A CB -0.168 18.826 19.000 -0.010 0.000 0.806 343 A HN 0.337 nan 8.150 nan 0.000 0.448 344 E N -0.791 119.409 120.200 0.000 0.000 2.086 344 E HA -0.012 4.338 4.350 0.001 0.000 0.190 344 E C 2.172 178.777 176.600 0.007 0.000 0.975 344 E CA 0.556 56.959 56.400 0.007 0.000 0.813 344 E CB -0.293 29.413 29.700 0.009 0.000 0.768 344 E HN 0.571 nan 8.360 nan 0.000 0.457 345 G N 0.809 109.611 108.800 0.003 0.000 2.422 345 G HA2 -0.312 3.649 3.960 0.001 0.000 0.218 345 G HA3 -0.312 3.649 3.960 0.001 0.000 0.218 345 G C 1.626 176.528 174.900 0.004 0.000 1.146 345 G CA 1.027 46.129 45.100 0.004 0.000 0.769 345 G HN 0.297 nan 8.290 nan 0.000 0.547 346 S N 0.616 116.316 115.700 0.000 0.000 2.359 346 S HA -0.206 4.265 4.470 0.001 0.000 0.224 346 S C 2.071 176.674 174.600 0.005 0.000 1.035 346 S CA 2.145 60.345 58.200 -0.000 0.000 1.018 346 S CB -0.507 62.688 63.200 -0.008 0.000 0.876 346 S HN 0.413 nan 8.310 nan 0.000 0.448 347 D N 0.113 120.516 120.400 0.005 0.000 2.123 347 D HA -0.094 4.547 4.640 0.001 0.000 0.196 347 D C 1.877 178.187 176.300 0.016 0.000 0.992 347 D CA 1.575 55.581 54.000 0.011 0.000 0.833 347 D CB -0.268 40.539 40.800 0.012 0.000 0.954 347 D HN 0.332 nan 8.370 nan 0.000 0.455 348 V N 0.684 120.608 119.914 0.016 0.000 2.358 348 V HA -0.186 3.935 4.120 0.001 0.000 0.246 348 V C 2.586 178.692 176.094 0.020 0.000 1.047 348 V CA 1.679 63.990 62.300 0.019 0.000 1.035 348 V CB -1.000 30.835 31.823 0.021 0.000 0.658 348 V HN 0.348 nan 8.190 nan 0.000 0.452 349 A N 0.502 123.332 122.820 0.018 0.000 1.883 349 A HA -0.258 4.063 4.320 0.001 0.000 0.217 349 A C 2.104 179.706 177.584 0.030 0.000 1.186 349 A CA 2.180 54.230 52.037 0.022 0.000 0.624 349 A CB -0.710 18.300 19.000 0.018 0.000 0.822 349 A HN 0.592 nan 8.150 nan 0.000 0.444 350 N N 0.087 118.803 118.700 0.028 0.000 2.244 350 N HA -0.068 4.672 4.740 0.001 0.000 0.183 350 N C 1.888 177.417 175.510 0.032 0.000 1.016 350 N CA 1.240 54.310 53.050 0.034 0.000 0.866 350 N CB -0.373 38.130 38.487 0.027 0.000 0.980 350 N HN 0.491 nan 8.380 nan 0.000 0.430 351 A N 0.814 123.649 122.820 0.026 0.000 1.933 351 A HA -0.073 4.248 4.320 0.001 0.000 0.218 351 A C 2.502 180.098 177.584 0.020 0.000 1.175 351 A CA 1.147 53.196 52.037 0.020 0.000 0.628 351 A CB -0.601 18.408 19.000 0.016 0.000 0.814 351 A HN 0.092 nan 8.150 nan 0.000 0.444 352 V N 0.013 119.943 119.914 0.026 0.000 2.307 352 V HA -0.226 3.895 4.120 0.001 0.000 0.245 352 V C 2.544 178.658 176.094 0.033 0.000 1.045 352 V CA 1.823 64.141 62.300 0.031 0.000 1.024 352 V CB -0.820 31.023 31.823 0.034 0.000 0.651 352 V HN 0.561 nan 8.190 nan 0.000 0.449 353 L N 0.007 121.255 121.223 0.042 0.000 2.079 353 L HA -0.223 4.118 4.340 0.001 0.000 0.210 353 L C 2.397 179.287 176.870 0.033 0.000 1.081 353 L CA 1.607 56.478 54.840 0.053 0.000 0.752 353 L CB -0.810 41.298 42.059 0.082 0.000 0.896 353 L HN 0.356 nan 8.230 nan 0.000 0.433 354 D N 0.078 120.492 120.400 0.024 0.000 2.149 354 D HA -0.119 4.522 4.640 0.001 0.000 0.198 354 D C 1.591 177.890 176.300 -0.001 0.000 0.990 354 D CA 1.607 55.611 54.000 0.007 0.000 0.839 354 D CB -0.111 40.693 40.800 0.006 0.000 0.948 354 D HN 0.462 nan 8.370 nan 0.000 0.460 355 G N -0.579 108.226 108.800 0.007 0.000 2.157 355 G HA2 0.000 3.961 3.960 0.001 0.000 0.118 355 G HA3 0.000 3.961 3.960 0.001 0.000 0.118 355 G C 0.188 175.092 174.900 0.006 0.000 1.032 355 G CA 0.034 45.139 45.100 0.010 0.000 0.697 355 G HN 0.540 nan 8.290 nan 0.000 0.495 356 A N 0.259 123.081 122.820 0.003 0.000 2.450 356 A HA 0.540 4.860 4.320 0.001 0.000 0.255 356 A C 1.241 178.824 177.584 -0.001 0.000 1.096 356 A CA 0.689 52.721 52.037 -0.008 0.000 0.778 356 A CB 0.296 19.289 19.000 -0.010 0.000 1.031 356 A HN 0.276 nan 8.150 nan 0.000 0.494 357 D N 0.835 121.224 120.400 -0.019 0.000 2.144 357 D HA -0.045 4.595 4.640 0.001 0.000 0.200 357 D C 0.090 176.393 176.300 0.004 0.000 0.978 357 D CA 1.328 55.321 54.000 -0.012 0.000 0.833 357 D CB 0.126 40.881 40.800 -0.076 0.000 0.961 357 D HN 0.530 nan 8.370 nan 0.000 0.470 358 C N 0.572 119.863 119.300 -0.015 0.000 2.797 358 C HA 0.581 5.041 4.460 0.001 0.000 0.306 358 C C -0.166 174.821 174.990 -0.005 0.000 1.207 358 C CA -1.064 57.953 59.018 -0.001 0.000 1.507 358 C CB 1.819 29.550 27.740 -0.015 0.000 2.028 358 C HN 0.163 nan 8.230 nan 0.000 0.475 359 I N 0.442 121.021 120.570 0.015 0.000 2.693 359 I HA 0.811 4.982 4.170 0.001 0.000 0.303 359 I C -0.780 175.353 176.117 0.027 0.000 1.025 359 I CA -0.803 60.507 61.300 0.017 0.000 1.086 359 I CB 1.726 39.742 38.000 0.027 0.000 1.268 359 I HN 0.672 nan 8.210 nan 0.000 0.440 360 M N 4.948 124.565 119.600 0.028 0.000 2.530 360 M HA 0.630 5.110 4.480 0.001 0.000 0.307 360 M C -1.968 174.364 176.300 0.054 0.000 1.161 360 M CA -0.684 54.644 55.300 0.046 0.000 0.903 360 M CB 2.631 35.255 32.600 0.040 0.000 1.711 360 M HN 0.631 nan 8.290 nan 0.000 0.451 361 L N 1.949 123.213 121.223 0.067 0.000 2.365 361 L HA 0.560 4.901 4.340 0.001 0.000 0.273 361 L C -0.225 176.694 176.870 0.081 0.000 1.000 361 L CA -0.245 54.636 54.840 0.068 0.000 0.819 361 L CB 2.177 44.276 42.059 0.066 0.000 1.284 361 L HN 0.786 nan 8.230 nan 0.000 0.418 362 S N 0.889 116.635 115.700 0.077 0.000 3.064 362 S HA 0.177 4.647 4.470 0.001 0.000 0.170 362 S C 1.570 176.217 174.600 0.078 0.000 0.713 362 S CA 0.384 58.635 58.200 0.086 0.000 0.891 362 S CB -0.185 63.066 63.200 0.085 0.000 0.772 362 S HN 0.867 nan 8.310 nan 0.000 0.701 363 G N 1.244 110.085 108.800 0.069 0.000 2.462 363 G HA2 -0.201 3.760 3.960 0.001 0.000 0.220 363 G HA3 -0.201 3.760 3.960 0.001 0.000 0.220 363 G C 1.002 175.937 174.900 0.058 0.000 1.121 363 G CA 1.179 46.315 45.100 0.059 0.000 0.758 363 G HN 0.540 nan 8.290 nan 0.000 0.559 364 E N 0.030 120.268 120.200 0.064 0.000 2.118 364 E HA -0.104 4.247 4.350 0.001 0.000 0.195 364 E C 2.758 179.400 176.600 0.070 0.000 0.992 364 E CA 1.865 58.307 56.400 0.070 0.000 0.804 364 E CB -0.180 29.563 29.700 0.071 0.000 0.741 364 E HN 0.628 nan 8.360 nan 0.000 0.458 365 T N -2.821 111.773 114.554 0.067 0.000 3.018 365 T HA 0.359 4.709 4.350 0.001 0.000 0.246 365 T C 2.029 176.765 174.700 0.060 0.000 1.026 365 T CA 0.241 62.379 62.100 0.063 0.000 1.081 365 T CB -0.034 68.873 68.868 0.065 0.000 0.970 365 T HN 0.131 nan 8.240 nan 0.000 0.475 366 A N 3.375 126.236 122.820 0.068 0.000 1.858 366 A HA -0.002 4.319 4.320 0.001 0.000 0.216 366 A C 2.194 179.811 177.584 0.055 0.000 1.190 366 A CA 1.813 53.894 52.037 0.074 0.000 0.617 366 A CB -0.413 18.640 19.000 0.087 0.000 0.827 366 A HN 0.738 nan 8.150 nan 0.000 0.443 367 K N -1.627 118.798 120.400 0.041 0.000 2.517 367 K HA 0.325 4.645 4.320 0.001 0.000 0.210 367 K C 0.701 177.305 176.600 0.007 0.000 1.166 367 K CA 0.307 56.607 56.287 0.021 0.000 1.030 367 K CB 0.174 32.684 32.500 0.015 0.000 0.974 367 K HN 0.280 nan 8.250 nan 0.000 0.585 368 G N 0.742 109.550 108.800 0.014 0.000 2.580 368 G HA2 0.092 4.052 3.960 0.001 0.000 0.278 368 G HA3 0.092 4.052 3.960 0.001 0.000 0.278 368 G C -0.281 174.582 174.900 -0.061 0.000 1.212 368 G CA -0.420 44.682 45.100 0.004 0.000 0.939 368 G HN 0.054 nan 8.290 nan 0.000 0.513 369 D N -1.149 119.170 120.400 -0.135 0.000 2.323 369 D HA 0.018 4.659 4.640 0.001 0.000 0.209 369 D C -0.187 175.700 176.300 -0.688 0.000 0.973 369 D CA 1.114 54.857 54.000 -0.429 0.000 0.874 369 D CB 0.215 40.664 40.800 -0.584 0.000 0.930 369 D HN 0.354 nan 8.370 nan 0.000 0.521 370 Y N -0.401 119.911 120.300 0.020 0.000 2.477 370 Y HA 0.223 4.773 4.550 0.001 0.000 0.340 370 Y C -1.745 174.170 175.900 0.025 0.000 0.987 370 Y CA -1.756 56.357 58.100 0.021 0.000 1.127 370 Y CB 1.353 39.825 38.460 0.020 0.000 1.139 370 Y HN -0.099 nan 8.280 nan 0.000 0.637 371 P HA -0.108 nan 4.420 nan 0.000 0.217 371 P C 1.436 178.786 177.300 0.082 0.000 1.154 371 P CA 1.236 64.384 63.100 0.080 0.000 0.841 371 P CB 0.778 32.506 31.700 0.047 0.000 0.788 372 L N -0.455 120.817 121.223 0.082 0.000 2.056 372 L HA -0.145 4.195 4.340 0.001 0.000 0.207 372 L C 2.592 179.509 176.870 0.079 0.000 1.078 372 L CA 1.607 56.489 54.840 0.070 0.000 0.749 372 L CB -0.996 41.101 42.059 0.064 0.000 0.901 372 L HN -0.073 nan 8.230 nan 0.000 0.433 373 E N 0.438 120.703 120.200 0.109 0.000 2.077 373 E HA -0.185 4.165 4.350 0.001 0.000 0.193 373 E C 2.279 178.924 176.600 0.076 0.000 0.989 373 E CA 1.343 57.797 56.400 0.090 0.000 0.800 373 E CB -0.336 29.421 29.700 0.096 0.000 0.746 373 E HN 0.437 nan 8.360 nan 0.000 0.452 374 A N 0.552 123.427 122.820 0.092 0.000 1.908 374 A HA -0.178 4.143 4.320 0.001 0.000 0.218 374 A C 2.462 180.088 177.584 0.070 0.000 1.181 374 A CA 1.551 53.634 52.037 0.077 0.000 0.627 374 A CB -0.740 18.311 19.000 0.085 0.000 0.818 374 A HN 0.156 nan 8.150 nan 0.000 0.445 375 V N -0.175 119.781 119.914 0.069 0.000 2.358 375 V HA -0.252 3.869 4.120 0.001 0.000 0.246 375 V C 2.580 178.725 176.094 0.085 0.000 1.047 375 V CA 2.204 64.543 62.300 0.065 0.000 1.035 375 V CB -0.855 30.994 31.823 0.044 0.000 0.658 375 V HN 0.523 nan 8.190 nan 0.000 0.452 376 R N -0.781 119.765 120.500 0.077 0.000 2.120 376 R HA -0.154 4.186 4.340 0.001 0.000 0.234 376 R C 2.226 178.606 176.300 0.133 0.000 1.123 376 R CA 1.701 57.863 56.100 0.103 0.000 0.975 376 R CB -0.422 29.921 30.300 0.071 0.000 0.866 376 R HN 0.402 nan 8.270 nan 0.000 0.446 377 M N 1.035 120.687 119.600 0.088 0.000 2.077 377 M HA -0.156 4.324 4.480 0.001 0.000 0.261 377 M C 1.934 178.273 176.300 0.065 0.000 1.070 377 M CA 1.779 57.117 55.300 0.064 0.000 1.125 377 M CB -0.290 32.335 32.600 0.042 0.000 1.339 377 M HN 0.006 nan 8.290 nan 0.000 0.409 378 Q N -1.379 118.465 119.800 0.073 0.000 2.197 378 Q HA -0.275 4.066 4.340 0.001 0.000 0.207 378 Q C 2.118 178.169 176.000 0.086 0.000 0.984 378 Q CA 2.058 57.902 55.803 0.068 0.000 0.869 378 Q CB -0.467 28.312 28.738 0.069 0.000 0.906 378 Q HN 0.764 nan 8.270 nan 0.000 0.426 379 H N 0.345 119.433 119.070 0.030 0.000 2.321 379 H HA -0.079 4.478 4.556 0.001 0.000 0.300 379 H C 1.847 177.193 175.328 0.030 0.000 1.087 379 H CA 1.570 57.638 56.048 0.033 0.000 1.319 379 H CB -0.186 29.596 29.762 0.034 0.000 1.379 379 H HN 0.119 nan 8.280 nan 0.000 0.501 380 L N -0.288 120.894 121.223 -0.068 0.000 2.017 380 L HA -0.150 4.191 4.340 0.001 0.000 0.208 380 L C 2.551 179.362 176.870 -0.098 0.000 1.073 380 L CA 1.452 56.223 54.840 -0.113 0.000 0.745 380 L CB -0.406 41.653 42.059 0.001 0.000 0.894 380 L HN 0.343 nan 8.230 nan 0.000 0.432 381 I N -0.123 120.421 120.570 -0.043 0.000 2.142 381 I HA -0.283 3.888 4.170 0.001 0.000 0.240 381 I C 2.871 178.969 176.117 -0.032 0.000 1.078 381 I CA 1.185 62.470 61.300 -0.025 0.000 1.343 381 I CB -0.580 37.419 38.000 -0.001 0.000 1.046 381 I HN 0.190 nan 8.210 nan 0.000 0.405 382 A N 0.789 123.589 122.820 -0.034 0.000 1.903 382 A HA -0.315 4.006 4.320 0.001 0.000 0.219 382 A C 2.425 179.986 177.584 -0.038 0.000 1.191 382 A CA 2.321 54.346 52.037 -0.020 0.000 0.638 382 A CB -0.814 18.184 19.000 -0.003 0.000 0.823 382 A HN 0.344 nan 8.150 nan 0.000 0.451 383 R N -0.708 119.727 120.500 -0.107 0.000 2.083 383 R HA -0.145 4.196 4.340 0.001 0.000 0.237 383 R C 2.216 178.490 176.300 -0.044 0.000 1.137 383 R CA 1.622 57.658 56.100 -0.105 0.000 0.951 383 R CB -0.196 29.978 30.300 -0.210 0.000 0.851 383 R HN 0.585 nan 8.270 nan 0.000 0.434 384 E N 0.087 120.262 120.200 -0.042 0.000 2.058 384 E HA -0.202 4.149 4.350 0.001 0.000 0.194 384 E C 1.935 178.546 176.600 0.018 0.000 0.997 384 E CA 1.447 57.841 56.400 -0.010 0.000 0.801 384 E CB -0.347 29.344 29.700 -0.014 0.000 0.746 384 E HN 0.443 nan 8.360 nan 0.000 0.450 385 A N 1.396 124.228 122.820 0.019 0.000 1.933 385 A HA -0.218 4.102 4.320 0.001 0.000 0.218 385 A C 2.027 179.652 177.584 0.069 0.000 1.175 385 A CA 1.647 53.709 52.037 0.043 0.000 0.628 385 A CB -0.489 18.531 19.000 0.035 0.000 0.814 385 A HN 0.221 nan 8.150 nan 0.000 0.444 386 E N -0.228 120.010 120.200 0.064 0.000 2.110 386 E HA -0.084 4.266 4.350 0.001 0.000 0.193 386 E C 2.200 178.906 176.600 0.177 0.000 0.988 386 E CA 0.974 57.436 56.400 0.103 0.000 0.804 386 E CB -0.268 29.479 29.700 0.077 0.000 0.745 386 E HN 0.636 nan 8.360 nan 0.000 0.458 387 A N 1.052 123.953 122.820 0.135 0.000 1.969 387 A HA 0.018 4.339 4.320 0.001 0.000 0.218 387 A C 2.228 179.939 177.584 0.212 0.000 1.169 387 A CA 1.351 53.487 52.037 0.165 0.000 0.635 387 A CB -0.278 18.776 19.000 0.089 0.000 0.810 387 A HN 0.262 nan 8.150 nan 0.000 0.445 388 A N -0.636 122.284 122.820 0.167 0.000 2.251 388 A HA 0.383 4.704 4.320 0.001 0.000 0.209 388 A C 0.785 178.561 177.584 0.321 0.000 1.187 388 A CA -0.302 51.847 52.037 0.185 0.000 0.823 388 A CB -0.443 18.611 19.000 0.090 0.000 0.846 388 A HN 0.455 nan 8.150 nan 0.000 0.486 389 I N -0.193 120.505 120.570 0.213 0.000 2.648 389 I HA -0.086 4.085 4.170 0.001 0.000 0.284 389 I C 0.336 176.501 176.117 0.079 0.000 1.153 389 I CA -0.055 61.281 61.300 0.059 0.000 1.426 389 I CB 0.338 38.172 38.000 -0.277 0.000 1.381 389 I HN 0.303 nan 8.210 nan 0.000 0.571 390 Y N 6.402 126.563 120.300 -0.231 0.000 2.667 390 Y HA 0.117 4.667 4.550 0.000 0.000 0.340 390 Y C 1.161 176.951 175.900 -0.183 0.000 1.303 390 Y CA -0.563 57.287 58.100 -0.416 0.000 1.769 390 Y CB -0.763 37.451 38.460 -0.410 0.000 1.804 390 Y HN 0.479 nan 8.280 nan 0.000 0.451 391 H N 1.267 120.302 119.070 -0.059 0.000 2.422 391 H HA -0.181 4.375 4.556 0.001 0.000 0.298 391 H C 1.938 177.065 175.328 -0.334 0.000 1.098 391 H CA 1.844 57.828 56.048 -0.108 0.000 1.315 391 H CB 0.126 29.879 29.762 -0.016 0.000 1.382 391 H HN 0.557 nan 8.280 nan 0.000 0.523 392 L N 0.623 121.608 121.223 -0.396 0.000 1.970 392 L HA -0.232 4.109 4.340 0.001 0.000 0.212 392 L C 2.366 178.956 176.870 -0.466 0.000 1.071 392 L CA 1.929 56.487 54.840 -0.470 0.000 0.751 392 L CB -0.569 41.194 42.059 -0.493 0.000 0.889 392 L HN 0.300 nan 8.230 nan 0.000 0.432 393 Q N -1.503 117.839 119.800 -0.764 0.000 2.187 393 Q HA -0.160 4.181 4.340 0.001 0.000 0.199 393 Q C 2.171 178.043 176.000 -0.212 0.000 0.957 393 Q CA 1.085 56.641 55.803 -0.412 0.000 0.857 393 Q CB -0.080 28.451 28.738 -0.345 0.000 0.929 393 Q HN 0.484 nan 8.270 nan 0.000 0.453 394 L N 0.246 121.357 121.223 -0.187 0.000 1.989 394 L HA -0.156 4.185 4.340 0.001 0.000 0.211 394 L C 1.955 178.862 176.870 0.062 0.000 1.071 394 L CA 1.913 56.728 54.840 -0.043 0.000 0.749 394 L CB -0.919 41.124 42.059 -0.026 0.000 0.890 394 L HN 0.363 nan 8.230 nan 0.000 0.431 395 F N 0.100 120.011 119.950 -0.064 0.000 2.186 395 F HA -0.164 4.363 4.527 0.001 0.000 0.299 395 F C 2.317 178.106 175.800 -0.018 0.000 1.090 395 F CA 1.526 59.535 58.000 0.015 0.000 1.307 395 F CB -0.019 38.943 39.000 -0.064 0.000 1.019 395 F HN 0.228 nan 8.300 nan 0.000 0.489 396 E N 0.243 120.348 120.200 -0.159 0.000 2.058 396 E HA -0.258 4.092 4.350 0.001 0.000 0.194 396 E C 2.078 178.565 176.600 -0.189 0.000 0.997 396 E CA 1.875 58.142 56.400 -0.221 0.000 0.801 396 E CB -0.214 29.398 29.700 -0.147 0.000 0.746 396 E HN 0.601 nan 8.360 nan 0.000 0.450 397 E N 0.579 120.707 120.200 -0.121 0.000 2.028 397 E HA -0.149 4.202 4.350 0.001 0.000 0.191 397 E C 2.345 178.907 176.600 -0.064 0.000 0.988 397 E CA 0.591 56.942 56.400 -0.081 0.000 0.799 397 E CB -0.097 29.568 29.700 -0.058 0.000 0.755 397 E HN 0.200 nan 8.360 nan 0.000 0.447 398 L N 0.648 121.851 121.223 -0.033 0.000 2.043 398 L HA -0.251 4.090 4.340 0.001 0.000 0.212 398 L C 2.701 179.585 176.870 0.023 0.000 1.075 398 L CA 1.226 56.083 54.840 0.029 0.000 0.752 398 L CB -0.311 41.838 42.059 0.150 0.000 0.891 398 L HN 0.042 nan 8.230 nan 0.000 0.432 399 R N 0.052 120.475 120.500 -0.127 0.000 2.115 399 R HA -0.088 4.252 4.340 0.001 0.000 0.226 399 R C 2.294 178.524 176.300 -0.118 0.000 1.100 399 R CA 1.278 57.259 56.100 -0.198 0.000 0.980 399 R CB -0.185 29.759 30.300 -0.594 0.000 0.875 399 R HN 0.179 nan 8.270 nan 0.000 0.445 400 R N -0.491 119.944 120.500 -0.108 0.000 2.090 400 R HA 0.096 4.437 4.340 0.001 0.000 0.228 400 R C 0.918 177.198 176.300 -0.033 0.000 1.110 400 R CA 0.935 56.995 56.100 -0.067 0.000 0.973 400 R CB -0.035 30.225 30.300 -0.066 0.000 0.869 400 R HN 0.205 nan 8.270 nan 0.000 0.440 401 L N 0.743 121.953 121.223 -0.022 0.000 2.779 401 L HA 0.280 4.621 4.340 0.001 0.000 0.239 401 L C -0.022 176.856 176.870 0.013 0.000 1.245 401 L CA -0.458 54.378 54.840 -0.007 0.000 1.064 401 L CB 0.215 42.268 42.059 -0.009 0.000 1.350 401 L HN 0.012 nan 8.230 nan 0.000 0.455 402 A N 0.428 123.264 122.820 0.026 0.000 2.340 402 A HA 0.708 5.028 4.320 0.001 0.000 0.297 402 A C -2.312 175.304 177.584 0.053 0.000 1.195 402 A CA -1.216 50.862 52.037 0.068 0.000 0.769 402 A CB 0.477 19.567 19.000 0.150 0.000 1.163 402 A HN 0.026 nan 8.150 nan 0.000 0.472 403 P HA 0.166 nan 4.420 nan 0.000 0.265 403 P C -0.626 176.698 177.300 0.040 0.000 1.187 403 P CA 0.244 63.365 63.100 0.037 0.000 0.766 403 P CB 0.351 32.072 31.700 0.035 0.000 0.820 404 I N 2.306 122.891 120.570 0.025 0.000 2.282 404 I HA 0.148 4.318 4.170 0.001 0.000 0.290 404 I C 0.828 176.959 176.117 0.023 0.000 1.090 404 I CA -0.011 61.303 61.300 0.022 0.000 1.231 404 I CB 0.147 38.153 38.000 0.011 0.000 1.434 404 I HN 0.361 nan 8.210 nan 0.000 0.487 405 T N 0.900 115.472 114.554 0.031 0.000 2.918 405 T HA 0.493 4.843 4.350 0.001 0.000 0.286 405 T C 1.074 175.791 174.700 0.029 0.000 1.026 405 T CA -0.341 61.777 62.100 0.029 0.000 1.031 405 T CB 1.850 70.740 68.868 0.036 0.000 1.046 405 T HN 0.503 nan 8.240 nan 0.000 0.479 406 S N 0.201 115.916 115.700 0.025 0.000 2.595 406 S HA 0.090 4.561 4.470 0.001 0.000 0.235 406 S C 0.771 175.390 174.600 0.033 0.000 0.974 406 S CA 0.048 58.263 58.200 0.025 0.000 0.942 406 S CB -0.664 62.548 63.200 0.021 0.000 0.766 406 S HN 0.836 nan 8.310 nan 0.000 0.536 407 D N 1.755 122.177 120.400 0.037 0.000 2.363 407 D HA 0.214 4.855 4.640 0.001 0.000 0.263 407 D C -1.616 174.716 176.300 0.053 0.000 1.258 407 D CA -2.019 52.007 54.000 0.043 0.000 0.907 407 D CB 1.340 42.166 40.800 0.043 0.000 1.107 407 D HN 0.073 nan 8.370 nan 0.000 0.495 408 P HA -0.045 nan 4.420 nan 0.000 0.222 408 P C 1.133 178.482 177.300 0.081 0.000 1.153 408 P CA 0.718 63.862 63.100 0.072 0.000 0.798 408 P CB 0.302 32.058 31.700 0.094 0.000 0.796 409 T N -0.716 113.885 114.554 0.077 0.000 2.777 409 T HA -0.121 4.229 4.350 0.001 0.000 0.266 409 T C 1.786 176.536 174.700 0.082 0.000 1.040 409 T CA 1.327 63.471 62.100 0.073 0.000 1.141 409 T CB -0.717 68.175 68.868 0.039 0.000 0.868 409 T HN 0.139 nan 8.240 nan 0.000 0.444 410 E N 1.155 121.409 120.200 0.089 0.000 2.106 410 E HA 0.040 4.391 4.350 0.001 0.000 0.192 410 E C 2.632 179.297 176.600 0.107 0.000 0.984 410 E CA 0.785 57.265 56.400 0.134 0.000 0.806 410 E CB -0.793 28.988 29.700 0.135 0.000 0.750 410 E HN 0.689 nan 8.360 nan 0.000 0.458 411 A N 0.630 123.491 122.820 0.068 0.000 1.929 411 A HA -0.123 4.197 4.320 0.001 0.000 0.216 411 A C 2.462 180.063 177.584 0.028 0.000 1.176 411 A CA 1.805 53.863 52.037 0.035 0.000 0.628 411 A CB -0.838 18.181 19.000 0.033 0.000 0.816 411 A HN 0.429 nan 8.150 nan 0.000 0.444 412 T N 0.483 115.067 114.554 0.049 0.000 2.708 412 T HA -0.017 4.334 4.350 0.001 0.000 0.266 412 T C 2.261 176.985 174.700 0.040 0.000 1.037 412 T CA 1.533 63.662 62.100 0.048 0.000 1.146 412 T CB -0.480 68.430 68.868 0.070 0.000 0.865 412 T HN 0.574 nan 8.240 nan 0.000 0.435 413 A N 0.916 123.775 122.820 0.065 0.000 1.883 413 A HA -0.079 4.242 4.320 0.001 0.000 0.217 413 A C 2.594 180.197 177.584 0.032 0.000 1.186 413 A CA 1.739 53.831 52.037 0.091 0.000 0.624 413 A CB -1.225 17.891 19.000 0.193 0.000 0.822 413 A HN 0.341 nan 8.150 nan 0.000 0.444 414 V N 0.022 119.882 119.914 -0.091 0.000 2.358 414 V HA -0.084 4.037 4.120 0.001 0.000 0.246 414 V C 2.473 178.524 176.094 -0.072 0.000 1.047 414 V CA 2.451 64.570 62.300 -0.301 0.000 1.035 414 V CB -0.965 30.564 31.823 -0.489 0.000 0.658 414 V HN 0.567 nan 8.190 nan 0.000 0.452 415 G N -0.813 107.968 108.800 -0.031 0.000 2.442 415 G HA2 -0.228 3.732 3.960 0.001 0.000 0.219 415 G HA3 -0.228 3.732 3.960 0.001 0.000 0.219 415 G C 1.721 176.613 174.900 -0.013 0.000 1.141 415 G CA 1.078 46.178 45.100 0.000 0.000 0.763 415 G HN 0.739 nan 8.290 nan 0.000 0.554 416 A N 0.026 122.832 122.820 -0.024 0.000 1.897 416 A HA 0.170 4.490 4.320 0.001 0.000 0.215 416 A C 2.584 180.101 177.584 -0.111 0.000 1.181 416 A CA 1.586 53.594 52.037 -0.048 0.000 0.620 416 A CB -0.524 18.460 19.000 -0.027 0.000 0.821 416 A HN 0.230 nan 8.150 nan 0.000 0.443 417 V N 0.361 120.203 119.914 -0.121 0.000 2.343 417 V HA -0.238 3.883 4.120 0.001 0.000 0.247 417 V C 2.648 178.510 176.094 -0.387 0.000 1.051 417 V CA 2.446 64.579 62.300 -0.280 0.000 1.036 417 V CB -0.663 31.071 31.823 -0.147 0.000 0.654 417 V HN 0.733 nan 8.190 nan 0.000 0.451 418 E N 1.028 121.141 120.200 -0.146 0.000 2.072 418 E HA -0.146 4.204 4.350 0.001 0.000 0.191 418 E C 2.116 178.716 176.600 -0.000 0.000 0.985 418 E CA 1.693 58.096 56.400 0.005 0.000 0.801 418 E CB -0.552 29.262 29.700 0.191 0.000 0.750 418 E HN 0.472 nan 8.360 nan 0.000 0.452 419 A N 0.518 123.314 122.820 -0.041 0.000 1.908 419 A HA -0.221 4.100 4.320 0.001 0.000 0.218 419 A C 2.451 179.981 177.584 -0.091 0.000 1.181 419 A CA 2.630 54.640 52.037 -0.046 0.000 0.627 419 A CB -1.190 17.782 19.000 -0.047 0.000 0.818 419 A HN 0.465 nan 8.150 nan 0.000 0.445 420 S N -1.127 114.459 115.700 -0.190 0.000 2.399 420 S HA -0.138 4.333 4.470 0.001 0.000 0.231 420 S C 1.701 176.139 174.600 -0.271 0.000 1.022 420 S CA 1.514 59.552 58.200 -0.269 0.000 0.983 420 S CB -0.698 62.263 63.200 -0.398 0.000 0.803 420 S HN 0.345 nan 8.310 nan 0.000 0.480 421 F N 2.230 122.067 119.950 -0.188 0.000 2.163 421 F HA 0.250 4.778 4.527 0.002 0.000 0.297 421 F C 2.531 178.266 175.800 -0.108 0.000 1.094 421 F CA 1.044 58.936 58.000 -0.180 0.000 1.290 421 F CB -0.730 38.123 39.000 -0.246 0.000 1.017 421 F HN 0.192 nan 8.300 nan 0.000 0.483 422 K N 0.785 121.249 120.400 0.107 0.000 2.103 422 K HA -0.173 4.147 4.320 0.001 0.000 0.207 422 K C 1.764 178.379 176.600 0.025 0.000 1.048 422 K CA 1.933 58.255 56.287 0.057 0.000 0.930 422 K CB -0.651 31.872 32.500 0.038 0.000 0.716 422 K HN 0.423 nan 8.250 nan 0.000 0.444 423 C N -2.601 116.698 119.300 -0.002 0.000 3.104 423 C HA 0.437 4.898 4.460 0.001 0.000 0.284 423 C C 0.785 175.758 174.990 -0.027 0.000 1.326 423 C CA -0.683 58.325 59.018 -0.017 0.000 1.725 423 C CB -1.728 25.992 27.740 -0.033 0.000 2.156 423 C HN 0.517 nan 8.230 nan 0.000 0.638 424 C N 3.755 123.040 119.300 -0.025 0.000 4.028 424 C HA -0.113 4.348 4.460 0.001 0.000 0.300 424 C C 1.076 176.029 174.990 -0.063 0.000 1.399 424 C CA 0.777 59.773 59.018 -0.036 0.000 2.051 424 C CB -3.069 24.668 27.740 -0.005 0.000 1.318 424 C HN 1.099 nan 8.230 nan 0.000 0.696 425 S N 0.430 116.071 115.700 -0.098 0.000 2.573 425 S HA 0.412 4.882 4.470 0.001 0.000 0.277 425 S C 1.412 175.962 174.600 -0.082 0.000 1.346 425 S CA 0.410 58.548 58.200 -0.104 0.000 1.034 425 S CB 1.565 64.687 63.200 -0.130 0.000 0.879 425 S HN 1.417 nan 8.310 nan 0.000 0.528 426 G N 0.849 109.613 108.800 -0.061 0.000 2.650 426 G HA2 0.460 4.421 3.960 0.001 0.000 0.214 426 G HA3 0.460 4.421 3.960 0.001 0.000 0.214 426 G C 0.331 175.300 174.900 0.115 0.000 1.136 426 G CA 0.269 45.402 45.100 0.056 0.000 0.789 426 G HN 1.451 nan 8.290 nan 0.000 0.536 427 A N -0.787 122.032 122.820 -0.002 0.000 2.599 427 A HA 0.607 4.928 4.320 0.001 0.000 0.294 427 A C -1.490 176.069 177.584 -0.042 0.000 1.055 427 A CA -0.716 51.343 52.037 0.037 0.000 0.683 427 A CB 0.607 19.760 19.000 0.254 0.000 1.278 427 A HN 0.118 nan 8.150 nan 0.000 0.412 428 I N 1.910 122.464 120.570 -0.026 0.000 2.330 428 I HA 0.377 4.548 4.170 0.001 0.000 0.289 428 I C -0.695 175.436 176.117 0.022 0.000 1.001 428 I CA -0.278 61.005 61.300 -0.029 0.000 1.193 428 I CB 1.256 39.226 38.000 -0.049 0.000 1.345 428 I HN 0.463 nan 8.210 nan 0.000 0.461 429 I N 7.189 127.770 120.570 0.019 0.000 2.336 429 I HA 0.378 4.548 4.170 0.001 0.000 0.292 429 I C -0.549 175.589 176.117 0.036 0.000 0.991 429 I CA -0.616 60.712 61.300 0.047 0.000 1.227 429 I CB 1.528 39.552 38.000 0.040 0.000 1.366 429 I HN 0.220 nan 8.210 nan 0.000 0.466 430 V N 7.054 126.997 119.914 0.048 0.000 2.577 430 V HA 0.377 4.498 4.120 0.001 0.000 0.303 430 V C -0.096 176.024 176.094 0.044 0.000 1.042 430 V CA -0.712 61.610 62.300 0.037 0.000 0.872 430 V CB 1.977 33.813 31.823 0.022 0.000 0.998 430 V HN 0.460 nan 8.190 nan 0.000 0.423 431 L N 3.597 124.846 121.223 0.044 0.000 2.290 431 L HA 0.615 4.955 4.340 0.001 0.000 0.284 431 L C 0.232 177.123 176.870 0.036 0.000 1.078 431 L CA 0.367 55.237 54.840 0.051 0.000 0.815 431 L CB 1.362 43.453 42.059 0.055 0.000 1.162 431 L HN 0.780 nan 8.230 nan 0.000 0.435 432 T N 2.421 116.989 114.554 0.022 0.000 3.032 432 T HA 0.268 4.618 4.350 0.001 0.000 0.312 432 T C 0.553 175.249 174.700 -0.006 0.000 1.078 432 T CA -0.611 61.480 62.100 -0.016 0.000 1.028 432 T CB 1.499 70.318 68.868 -0.081 0.000 1.091 432 T HN 0.647 nan 8.240 nan 0.000 0.457 433 K N 1.642 122.038 120.400 -0.006 0.000 2.021 433 K HA 0.013 4.334 4.320 0.001 0.000 0.205 433 K C 2.136 178.724 176.600 -0.020 0.000 1.047 433 K CA 1.387 57.675 56.287 0.001 0.000 0.943 433 K CB -0.028 32.477 32.500 0.009 0.000 0.725 433 K HN 0.630 nan 8.250 nan 0.000 0.439 434 S N -1.025 114.643 115.700 -0.052 0.000 2.517 434 S HA 0.174 4.645 4.470 0.001 0.000 0.214 434 S C 1.449 175.978 174.600 -0.117 0.000 0.991 434 S CA 0.464 58.630 58.200 -0.056 0.000 0.906 434 S CB 0.750 63.916 63.200 -0.057 0.000 0.789 434 S HN 0.478 nan 8.310 nan 0.000 0.513 435 G N 1.053 109.721 108.800 -0.220 0.000 2.213 435 G HA2 -0.348 3.612 3.960 0.001 0.000 0.236 435 G HA3 -0.348 3.612 3.960 0.001 0.000 0.236 435 G C 1.030 175.317 174.900 -1.021 0.000 0.991 435 G CA 0.608 45.418 45.100 -0.484 0.000 0.629 435 G HN 0.576 nan 8.290 nan 0.000 0.517 436 R N 1.036 121.157 120.500 -0.632 0.000 2.083 436 R HA 0.011 4.352 4.340 0.001 0.000 0.237 436 R C 2.954 179.058 176.300 -0.327 0.000 1.137 436 R CA 2.764 58.579 56.100 -0.474 0.000 0.951 436 R CB -1.279 28.913 30.300 -0.180 0.000 0.851 436 R HN 0.724 nan 8.270 nan 0.000 0.434 437 S N -0.090 115.478 115.700 -0.220 0.000 2.383 437 S HA -0.073 4.398 4.470 0.001 0.000 0.229 437 S C 2.134 176.674 174.600 -0.099 0.000 1.030 437 S CA 1.265 59.401 58.200 -0.105 0.000 1.002 437 S CB -0.490 62.677 63.200 -0.054 0.000 0.829 437 S HN 0.743 nan 8.310 nan 0.000 0.467 438 A N 1.016 123.729 122.820 -0.178 0.000 1.930 438 A HA -0.027 4.294 4.320 0.001 0.000 0.215 438 A C 1.615 179.139 177.584 -0.100 0.000 1.176 438 A CA 0.962 52.934 52.037 -0.107 0.000 0.632 438 A CB -0.799 18.149 19.000 -0.087 0.000 0.819 438 A HN 0.668 nan 8.150 nan 0.000 0.445 439 H N -0.507 118.368 119.070 -0.325 0.000 2.352 439 H HA -0.166 4.390 4.556 0.001 0.000 0.299 439 H C 2.237 177.451 175.328 -0.190 0.000 1.097 439 H CA 1.446 57.169 56.048 -0.543 0.000 1.311 439 H CB -0.005 29.318 29.762 -0.733 0.000 1.377 439 H HN 0.572 nan 8.280 nan 0.000 0.504 440 Q N 0.354 120.162 119.800 0.013 0.000 2.167 440 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 440 Q C 2.537 178.630 176.000 0.155 0.000 0.970 440 Q CA 1.171 57.015 55.803 0.068 0.000 0.855 440 Q CB 0.206 28.993 28.738 0.081 0.000 0.911 440 Q HN 0.300 nan 8.270 nan 0.000 0.438 441 V N 0.613 120.605 119.914 0.131 0.000 2.379 441 V HA -0.209 3.912 4.120 0.001 0.000 0.245 441 V C 2.187 178.387 176.094 0.176 0.000 1.044 441 V CA 1.706 64.115 62.300 0.181 0.000 1.036 441 V CB -0.773 31.104 31.823 0.089 0.000 0.664 441 V HN 0.358 nan 8.190 nan 0.000 0.453 442 A N 1.290 124.179 122.820 0.115 0.000 2.015 442 A HA -0.211 4.109 4.320 0.001 0.000 0.219 442 A C 2.314 179.976 177.584 0.130 0.000 1.163 442 A CA 1.716 53.834 52.037 0.135 0.000 0.646 442 A CB -0.519 18.582 19.000 0.167 0.000 0.806 442 A HN 0.706 nan 8.150 nan 0.000 0.448 443 R N -2.087 118.443 120.500 0.050 0.000 2.235 443 R HA -0.067 4.274 4.340 0.001 0.000 0.213 443 R C 0.771 176.967 176.300 -0.174 0.000 1.059 443 R CA 1.370 57.422 56.100 -0.080 0.000 0.997 443 R CB -0.531 29.656 30.300 -0.188 0.000 0.884 443 R HN 0.470 nan 8.270 nan 0.000 0.462 444 Y N 1.023 121.439 120.300 0.194 0.000 2.461 444 Y HA 0.302 4.852 4.550 0.001 0.000 0.277 444 Y C 0.063 176.157 175.900 0.324 0.000 1.182 444 Y CA -0.454 57.827 58.100 0.302 0.000 1.276 444 Y CB 0.322 39.015 38.460 0.388 0.000 1.087 444 Y HN -0.077 nan 8.280 nan 0.000 0.519 445 R N 0.005 120.689 120.500 0.306 0.000 3.205 445 R HA -0.151 4.189 4.340 0.001 0.000 0.249 445 R C -2.911 173.578 176.300 0.316 0.000 0.937 445 R CA 0.248 56.514 56.100 0.276 0.000 0.641 445 R CB -1.916 28.542 30.300 0.264 0.000 1.114 445 R HN 0.284 nan 8.270 nan 0.000 0.451 446 P HA 0.033 nan 4.420 nan 0.000 0.272 446 P C 0.689 177.927 177.300 -0.104 0.000 1.230 446 P CA -0.278 62.692 63.100 -0.217 0.000 0.788 446 P CB 0.578 32.069 31.700 -0.348 0.000 0.949 447 R N 1.872 122.161 120.500 -0.350 0.000 2.075 447 R HA -0.019 4.322 4.340 0.001 0.000 0.232 447 R C 0.779 176.969 176.300 -0.182 0.000 1.126 447 R CA 0.886 56.813 56.100 -0.288 0.000 0.963 447 R CB -0.586 29.453 30.300 -0.436 0.000 0.858 447 R HN 0.618 nan 8.270 nan 0.000 0.435 448 A N 2.612 125.278 122.820 -0.255 0.000 2.425 448 A HA 0.284 4.605 4.320 0.001 0.000 0.249 448 A C -2.218 175.287 177.584 -0.132 0.000 1.084 448 A CA -1.389 50.538 52.037 -0.183 0.000 0.781 448 A CB 0.075 18.952 19.000 -0.204 0.000 1.019 448 A HN 0.270 nan 8.150 nan 0.000 0.490 449 P HA 0.158 nan 4.420 nan 0.000 0.268 449 P C -0.769 176.517 177.300 -0.023 0.000 1.204 449 P CA 0.430 63.456 63.100 -0.124 0.000 0.768 449 P CB 0.382 31.880 31.700 -0.337 0.000 0.842 450 I N 4.294 124.887 120.570 0.038 0.000 2.307 450 I HA 0.263 4.433 4.170 0.001 0.000 0.287 450 I C 0.736 176.947 176.117 0.157 0.000 1.054 450 I CA -0.547 60.800 61.300 0.077 0.000 1.218 450 I CB 0.175 38.217 38.000 0.071 0.000 1.398 450 I HN 0.123 nan 8.210 nan 0.000 0.475 451 I N 6.223 126.898 120.570 0.175 0.000 2.329 451 I HA 0.232 4.403 4.170 0.001 0.000 0.295 451 I C 0.763 176.980 176.117 0.166 0.000 1.109 451 I CA -0.025 61.427 61.300 0.252 0.000 1.297 451 I CB 0.547 38.693 38.000 0.244 0.000 1.433 451 I HN 0.592 nan 8.210 nan 0.000 0.509 452 A N 7.291 130.197 122.820 0.144 0.000 2.279 452 A HA 0.540 4.860 4.320 0.001 0.000 0.306 452 A C -0.179 177.463 177.584 0.096 0.000 1.300 452 A CA -0.413 51.674 52.037 0.083 0.000 0.925 452 A CB 0.341 19.363 19.000 0.036 0.000 1.152 452 A HN 0.466 nan 8.150 nan 0.000 0.544 453 V N 3.044 123.025 119.914 0.111 0.000 2.406 453 V HA 0.585 4.706 4.120 0.001 0.000 0.272 453 V C 0.578 176.746 176.094 0.125 0.000 1.043 453 V CA 0.012 62.413 62.300 0.168 0.000 0.915 453 V CB 0.963 32.912 31.823 0.209 0.000 0.988 453 V HN 0.926 nan 8.190 nan 0.000 0.466 454 T N 4.419 119.049 114.554 0.127 0.000 2.916 454 T HA 0.400 4.751 4.350 0.001 0.000 0.305 454 T C 0.605 175.346 174.700 0.069 0.000 1.119 454 T CA -0.663 61.483 62.100 0.077 0.000 1.008 454 T CB 1.668 70.565 68.868 0.049 0.000 1.129 454 T HN 0.647 nan 8.240 nan 0.000 0.480 455 R N 1.765 122.288 120.500 0.038 0.000 2.317 455 R HA 0.170 4.511 4.340 0.001 0.000 0.208 455 R C 0.417 176.727 176.300 0.017 0.000 0.914 455 R CA -0.118 55.989 56.100 0.013 0.000 1.060 455 R CB 0.153 30.455 30.300 0.002 0.000 1.015 455 R HN 0.355 nan 8.270 nan 0.000 0.498 456 N N 1.446 120.163 118.700 0.028 0.000 2.439 456 N HA 0.097 4.838 4.740 0.001 0.000 0.249 456 N C -2.135 173.398 175.510 0.039 0.000 1.003 456 N CA -2.083 50.983 53.050 0.026 0.000 0.942 456 N CB 1.809 40.309 38.487 0.023 0.000 1.115 456 N HN -0.190 nan 8.380 nan 0.000 0.505 457 P HA -0.149 nan 4.420 nan 0.000 0.216 457 P C 1.149 178.488 177.300 0.064 0.000 1.150 457 P CA 1.225 64.361 63.100 0.059 0.000 0.837 457 P CB 0.421 32.148 31.700 0.045 0.000 0.786 458 Q N -0.990 118.840 119.800 0.049 0.000 2.123 458 Q HA -0.103 4.237 4.340 0.001 0.000 0.199 458 Q C 1.826 177.864 176.000 0.062 0.000 0.966 458 Q CA 1.695 57.529 55.803 0.051 0.000 0.845 458 Q CB -0.577 28.184 28.738 0.038 0.000 0.907 458 Q HN 0.104 nan 8.270 nan 0.000 0.439 459 T N 0.810 115.396 114.554 0.055 0.000 2.665 459 T HA -0.226 4.125 4.350 0.001 0.000 0.268 459 T C 1.779 176.512 174.700 0.054 0.000 1.035 459 T CA 1.521 63.657 62.100 0.059 0.000 1.151 459 T CB -0.481 68.405 68.868 0.030 0.000 0.862 459 T HN 0.491 nan 8.240 nan 0.000 0.438 460 A N 1.532 124.375 122.820 0.039 0.000 1.933 460 A HA -0.133 4.187 4.320 0.001 0.000 0.218 460 A C 2.393 179.951 177.584 -0.042 0.000 1.175 460 A CA 1.506 53.543 52.037 -0.001 0.000 0.628 460 A CB -0.461 18.567 19.000 0.045 0.000 0.814 460 A HN 0.444 nan 8.150 nan 0.000 0.444 461 R N -0.854 119.675 120.500 0.048 0.000 2.073 461 R HA -0.067 4.274 4.340 0.001 0.000 0.229 461 R C 2.331 178.716 176.300 0.142 0.000 1.120 461 R CA 1.456 57.626 56.100 0.117 0.000 0.967 461 R CB -0.268 30.103 30.300 0.118 0.000 0.862 461 R HN 0.661 nan 8.270 nan 0.000 0.436 462 Q N 0.014 119.886 119.800 0.119 0.000 2.311 462 Q HA 0.035 4.376 4.340 0.001 0.000 0.203 462 Q C 1.969 178.093 176.000 0.207 0.000 0.954 462 Q CA 0.927 56.823 55.803 0.155 0.000 0.885 462 Q CB 0.133 28.961 28.738 0.151 0.000 0.963 462 Q HN 0.316 nan 8.270 nan 0.000 0.471 463 A N 0.600 123.518 122.820 0.163 0.000 2.070 463 A HA -0.202 4.119 4.320 0.001 0.000 0.220 463 A C 1.443 179.135 177.584 0.179 0.000 1.159 463 A CA 1.033 53.194 52.037 0.206 0.000 0.656 463 A CB -0.548 18.489 19.000 0.061 0.000 0.800 463 A HN 0.355 nan 8.150 nan 0.000 0.453 464 H N -0.222 118.935 119.070 0.144 0.000 2.489 464 H HA -0.065 4.491 4.556 0.001 0.000 0.295 464 H C 1.802 177.186 175.328 0.093 0.000 1.082 464 H CA 1.366 57.474 56.048 0.101 0.000 1.295 464 H CB -0.237 29.558 29.762 0.055 0.000 1.380 464 H HN 0.464 nan 8.280 nan 0.000 0.548 465 L N -0.193 121.141 121.223 0.186 0.000 2.265 465 L HA -0.150 4.190 4.340 0.001 0.000 0.215 465 L C 0.157 176.919 176.870 -0.179 0.000 1.117 465 L CA 0.723 55.542 54.840 -0.034 0.000 0.782 465 L CB -0.178 41.772 42.059 -0.182 0.000 0.914 465 L HN 0.138 nan 8.230 nan 0.000 0.441 466 Y N -0.602 119.714 120.300 0.027 0.000 2.328 466 Y HA 0.352 4.902 4.550 0.001 0.000 0.337 466 Y C 0.615 176.553 175.900 0.063 0.000 1.008 466 Y CA -1.202 56.910 58.100 0.020 0.000 1.129 466 Y CB 0.806 39.276 38.460 0.016 0.000 1.185 466 Y HN -0.101 nan 8.280 nan 0.000 0.476 467 R N 1.767 122.372 120.500 0.174 0.000 2.537 467 R HA 0.234 4.575 4.340 0.001 0.000 0.281 467 R C 1.176 177.575 176.300 0.165 0.000 0.988 467 R CA 1.374 57.560 56.100 0.144 0.000 1.077 467 R CB -0.479 29.889 30.300 0.113 0.000 0.932 467 R HN 0.977 nan 8.270 nan 0.000 0.409 468 G N 3.768 112.654 108.800 0.143 0.000 2.253 468 G HA2 -0.299 3.662 3.960 0.001 0.000 0.251 468 G HA3 -0.299 3.662 3.960 0.001 0.000 0.251 468 G C 0.273 175.259 174.900 0.144 0.000 0.998 468 G CA 0.196 45.367 45.100 0.118 0.000 0.621 468 G HN 0.581 nan 8.290 nan 0.000 0.524 469 I N 1.112 121.789 120.570 0.179 0.000 2.452 469 I HA 0.392 4.563 4.170 0.001 0.000 0.287 469 I C -0.018 176.216 176.117 0.194 0.000 1.079 469 I CA -0.452 60.949 61.300 0.169 0.000 1.387 469 I CB 0.610 38.701 38.000 0.151 0.000 1.404 469 I HN 0.125 nan 8.210 nan 0.000 0.522 470 F N 10.467 130.453 119.950 0.061 0.000 2.293 470 F HA 0.473 5.000 4.527 0.001 0.000 0.370 470 F C -2.268 173.550 175.800 0.030 0.000 1.090 470 F CA -2.696 55.352 58.000 0.081 0.000 1.133 470 F CB 0.740 39.838 39.000 0.164 0.000 1.360 470 F HN 0.231 nan 8.300 nan 0.000 0.489 471 P HA 0.264 nan 4.420 nan 0.000 0.285 471 P C -1.250 175.891 177.300 -0.264 0.000 1.259 471 P CA -0.167 62.777 63.100 -0.260 0.000 0.794 471 P CB 1.692 33.186 31.700 -0.343 0.000 0.940 472 V N 1.420 121.330 119.914 -0.007 0.000 2.656 472 V HA 0.550 4.671 4.120 0.001 0.000 0.307 472 V C -0.770 175.498 176.094 0.290 0.000 1.051 472 V CA -1.206 61.176 62.300 0.137 0.000 0.893 472 V CB 1.924 33.810 31.823 0.105 0.000 0.999 472 V HN 0.291 nan 8.190 nan 0.000 0.426 473 L N 5.785 127.227 121.223 0.364 0.000 2.264 473 L HA 0.617 4.958 4.340 0.001 0.000 0.287 473 L C 0.041 177.007 176.870 0.161 0.000 1.039 473 L CA -0.158 54.831 54.840 0.249 0.000 0.829 473 L CB 0.524 42.712 42.059 0.215 0.000 1.211 473 L HN 1.109 nan 8.230 nan 0.000 0.427 474 C N 5.787 125.112 119.300 0.043 0.000 2.576 474 C HA 0.316 4.776 4.460 0.001 0.000 0.401 474 C C 1.135 175.983 174.990 -0.237 0.000 1.314 474 C CA -0.359 58.452 59.018 -0.344 0.000 1.855 474 C CB -0.547 27.033 27.740 -0.266 0.000 2.537 474 C HN 0.941 nan 8.230 nan 0.000 0.578 475 K N 3.109 123.328 120.400 -0.301 0.000 2.478 475 K HA 0.163 4.483 4.320 0.001 0.000 0.205 475 K C -0.321 176.176 176.600 -0.171 0.000 1.033 475 K CA -0.353 55.821 56.287 -0.188 0.000 1.091 475 K CB 0.255 32.655 32.500 -0.168 0.000 0.844 475 K HN 0.716 nan 8.250 nan 0.000 0.507 476 D N 3.486 123.761 120.400 -0.208 0.000 2.414 476 D HA 0.073 4.714 4.640 0.001 0.000 0.242 476 D C -2.054 174.189 176.300 -0.095 0.000 1.129 476 D CA -1.210 52.703 54.000 -0.145 0.000 0.885 476 D CB 0.695 41.403 40.800 -0.154 0.000 1.198 476 D HN 0.036 nan 8.370 nan 0.000 0.437 477 P HA -0.019 nan 4.420 nan 0.000 0.269 477 P C -0.263 177.019 177.300 -0.031 0.000 1.217 477 P CA -0.364 62.711 63.100 -0.042 0.000 0.783 477 P CB 0.494 32.174 31.700 -0.032 0.000 0.898 478 V N 3.022 122.930 119.914 -0.011 0.000 2.479 478 V HA -0.010 4.111 4.120 0.001 0.000 0.281 478 V C 1.118 177.222 176.094 0.016 0.000 1.031 478 V CA 0.028 62.335 62.300 0.012 0.000 1.038 478 V CB -0.373 31.470 31.823 0.033 0.000 0.981 478 V HN 0.460 nan 8.190 nan 0.000 0.478 479 Q N 2.640 122.449 119.800 0.015 0.000 2.373 479 Q HA 0.050 4.390 4.340 0.001 0.000 0.255 479 Q C 1.318 177.344 176.000 0.043 0.000 0.980 479 Q CA 0.018 55.830 55.803 0.015 0.000 0.882 479 Q CB 1.187 29.923 28.738 -0.003 0.000 1.249 479 Q HN 0.744 nan 8.270 nan 0.000 0.438 480 E N 1.521 121.742 120.200 0.035 0.000 2.106 480 E HA -0.049 4.301 4.350 0.001 0.000 0.192 480 E C 0.259 176.901 176.600 0.071 0.000 0.984 480 E CA 0.935 57.362 56.400 0.045 0.000 0.806 480 E CB 0.115 29.832 29.700 0.028 0.000 0.750 480 E HN 0.651 nan 8.360 nan 0.000 0.458 481 A N -0.150 122.707 122.820 0.062 0.000 2.350 481 A HA 0.345 4.665 4.320 0.001 0.000 0.293 481 A C 0.397 178.048 177.584 0.112 0.000 1.231 481 A CA -0.183 51.903 52.037 0.082 0.000 0.883 481 A CB -0.456 18.570 19.000 0.044 0.000 1.133 481 A HN 0.670 nan 8.150 nan 0.000 0.533 482 W N 3.554 124.847 121.300 -0.013 0.000 2.363 482 W HA -0.165 4.496 4.660 0.001 0.000 0.296 482 W C 1.869 178.385 176.519 -0.006 0.000 1.212 482 W CA 2.113 59.448 57.345 -0.016 0.000 1.260 482 W CB 0.024 29.467 29.460 -0.029 0.000 1.131 482 W HN 0.709 nan 8.180 nan 0.000 0.530 483 A N 0.313 123.100 122.820 -0.055 0.000 1.908 483 A HA -0.256 4.064 4.320 0.001 0.000 0.218 483 A C 1.830 179.281 177.584 -0.220 0.000 1.181 483 A CA 2.054 53.967 52.037 -0.207 0.000 0.627 483 A CB -0.857 18.126 19.000 -0.028 0.000 0.818 483 A HN 0.485 nan 8.150 nan 0.000 0.445 484 E N -0.758 119.371 120.200 -0.119 0.000 2.072 484 E HA -0.206 4.145 4.350 0.001 0.000 0.191 484 E C 1.733 178.253 176.600 -0.134 0.000 0.985 484 E CA 1.176 57.518 56.400 -0.096 0.000 0.801 484 E CB -0.200 29.474 29.700 -0.042 0.000 0.750 484 E HN 0.699 nan 8.360 nan 0.000 0.452 485 D N 0.021 120.323 120.400 -0.163 0.000 2.144 485 D HA -0.140 4.501 4.640 0.001 0.000 0.199 485 D C 1.861 178.012 176.300 -0.249 0.000 0.984 485 D CA 0.755 54.657 54.000 -0.164 0.000 0.834 485 D CB 0.192 40.931 40.800 -0.102 0.000 0.955 485 D HN -0.067 nan 8.370 nan 0.000 0.465 486 V N 0.678 120.309 119.914 -0.471 0.000 2.295 486 V HA -0.208 3.912 4.120 0.001 0.000 0.246 486 V C 1.794 177.755 176.094 -0.223 0.000 1.049 486 V CA 1.975 64.007 62.300 -0.448 0.000 1.024 486 V CB -0.468 30.905 31.823 -0.749 0.000 0.648 486 V HN 0.232 nan 8.190 nan 0.000 0.447 487 D N -0.123 120.162 120.400 -0.192 0.000 2.144 487 D HA -0.138 4.503 4.640 0.001 0.000 0.200 487 D C 2.282 178.555 176.300 -0.044 0.000 0.978 487 D CA 1.473 55.414 54.000 -0.098 0.000 0.833 487 D CB -0.704 40.046 40.800 -0.084 0.000 0.961 487 D HN 0.357 nan 8.370 nan 0.000 0.470 488 L N 0.829 122.022 121.223 -0.051 0.000 2.021 488 L HA -0.194 4.146 4.340 0.001 0.000 0.215 488 L C 2.254 179.150 176.870 0.044 0.000 1.074 488 L CA 1.914 56.747 54.840 -0.012 0.000 0.760 488 L CB -1.002 41.034 42.059 -0.040 0.000 0.889 488 L HN 0.126 nan 8.230 nan 0.000 0.433 489 R N -0.994 119.524 120.500 0.030 0.000 2.119 489 R HA 0.031 4.372 4.340 0.001 0.000 0.222 489 R C 2.303 178.699 176.300 0.159 0.000 1.088 489 R CA 1.205 57.378 56.100 0.122 0.000 0.984 489 R CB -0.414 29.925 30.300 0.066 0.000 0.884 489 R HN 0.538 nan 8.270 nan 0.000 0.447 490 V N 1.660 121.615 119.914 0.067 0.000 2.343 490 V HA -0.272 3.848 4.120 0.001 0.000 0.247 490 V C 2.101 178.243 176.094 0.080 0.000 1.051 490 V CA 1.785 64.118 62.300 0.056 0.000 1.036 490 V CB -0.646 31.180 31.823 0.004 0.000 0.654 490 V HN 0.457 nan 8.190 nan 0.000 0.451 491 N N -0.494 118.256 118.700 0.083 0.000 2.166 491 N HA -0.202 4.538 4.740 0.001 0.000 0.186 491 N C 1.980 177.581 175.510 0.152 0.000 1.019 491 N CA 1.397 54.504 53.050 0.094 0.000 0.856 491 N CB -0.108 38.422 38.487 0.072 0.000 0.993 491 N HN 0.448 nan 8.380 nan 0.000 0.426 492 F N 2.185 122.154 119.950 0.032 0.000 2.091 492 F HA -0.171 4.356 4.527 0.001 0.000 0.299 492 F C 2.335 178.178 175.800 0.073 0.000 1.103 492 F CA 1.570 59.596 58.000 0.044 0.000 1.228 492 F CB -0.857 38.164 39.000 0.036 0.000 0.984 492 F HN 0.052 nan 8.300 nan 0.000 0.477 493 A N 0.633 123.420 122.820 -0.055 0.000 1.908 493 A HA -0.219 4.102 4.320 0.001 0.000 0.218 493 A C 2.240 179.850 177.584 0.044 0.000 1.181 493 A CA 2.059 54.050 52.037 -0.077 0.000 0.627 493 A CB -0.727 18.308 19.000 0.058 0.000 0.818 493 A HN 0.436 nan 8.150 nan 0.000 0.445 494 M N 0.191 119.859 119.600 0.114 0.000 2.108 494 M HA -0.137 4.344 4.480 0.001 0.000 0.261 494 M C 1.664 178.046 176.300 0.137 0.000 1.066 494 M CA 1.355 56.794 55.300 0.233 0.000 1.107 494 M CB -1.710 30.974 32.600 0.139 0.000 1.356 494 M HN 0.413 nan 8.290 nan 0.000 0.406 495 N N 0.397 119.109 118.700 0.020 0.000 2.166 495 N HA -0.085 4.656 4.740 0.001 0.000 0.186 495 N C 1.922 177.332 175.510 -0.166 0.000 1.019 495 N CA 1.078 54.104 53.050 -0.040 0.000 0.856 495 N CB -0.545 37.956 38.487 0.023 0.000 0.993 495 N HN 0.194 nan 8.380 nan 0.000 0.426 496 V N 0.760 120.512 119.914 -0.271 0.000 2.295 496 V HA -0.144 3.976 4.120 0.001 0.000 0.246 496 V C 2.460 178.241 176.094 -0.522 0.000 1.049 496 V CA 2.086 64.174 62.300 -0.353 0.000 1.024 496 V CB -1.267 30.343 31.823 -0.356 0.000 0.648 496 V HN 0.335 nan 8.190 nan 0.000 0.447 497 G N -0.434 108.027 108.800 -0.565 0.000 2.408 497 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 497 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 497 G C 1.673 175.850 174.900 -1.205 0.000 1.150 497 G CA 0.859 45.265 45.100 -1.157 0.000 0.776 497 G HN 0.472 nan 8.290 nan 0.000 0.542 498 K N 0.573 120.548 120.400 -0.709 0.000 2.025 498 K HA 0.126 4.447 4.320 0.001 0.000 0.207 498 K C 2.918 179.314 176.600 -0.339 0.000 1.049 498 K CA 1.132 57.191 56.287 -0.380 0.000 0.933 498 K CB -0.248 32.181 32.500 -0.119 0.000 0.714 498 K HN 0.235 nan 8.250 nan 0.000 0.438 499 A N 1.203 123.829 122.820 -0.323 0.000 1.930 499 A HA -0.124 4.197 4.320 0.001 0.000 0.217 499 A C 1.921 179.300 177.584 -0.341 0.000 1.175 499 A CA 1.223 53.107 52.037 -0.256 0.000 0.627 499 A CB -0.246 18.640 19.000 -0.191 0.000 0.815 499 A HN 0.092 nan 8.150 nan 0.000 0.443 500 R N -1.283 118.867 120.500 -0.582 0.000 2.235 500 R HA 0.018 4.358 4.340 0.001 0.000 0.213 500 R C 1.383 177.314 176.300 -0.615 0.000 1.059 500 R CA 0.852 56.478 56.100 -0.790 0.000 0.997 500 R CB -0.694 28.593 30.300 -1.689 0.000 0.884 500 R HN 0.897 nan 8.270 nan 0.000 0.462 501 G N 0.479 108.988 108.800 -0.485 0.000 2.137 501 G HA2 -0.234 3.727 3.960 0.001 0.000 0.237 501 G HA3 -0.234 3.727 3.960 0.001 0.000 0.237 501 G C 0.446 175.304 174.900 -0.070 0.000 1.002 501 G CA 0.043 45.008 45.100 -0.225 0.000 0.702 501 G HN 0.231 nan 8.290 nan 0.000 0.515 502 F N -0.257 119.449 119.950 -0.407 0.000 2.367 502 F HA 0.393 4.921 4.527 0.001 0.000 0.298 502 F C 1.395 177.094 175.800 -0.169 0.000 1.094 502 F CA 0.504 58.299 58.000 -0.342 0.000 1.409 502 F CB -0.606 38.120 39.000 -0.458 0.000 1.064 502 F HN 0.458 nan 8.300 nan 0.000 0.528 503 F N -1.448 118.556 119.950 0.091 0.000 3.122 503 F HA 0.579 5.107 4.527 0.001 0.000 0.325 503 F C -1.257 174.542 175.800 -0.001 0.000 1.162 503 F CA -2.401 55.618 58.000 0.032 0.000 0.876 503 F CB 0.948 39.962 39.000 0.023 0.000 1.429 503 F HN -0.226 nan 8.300 nan 0.000 0.484 504 K N 0.112 120.751 120.400 0.398 0.000 2.533 504 K HA 0.444 4.765 4.320 0.001 0.000 0.272 504 K C -1.484 175.227 176.600 0.186 0.000 0.985 504 K CA -1.325 55.101 56.287 0.231 0.000 0.876 504 K CB 2.388 34.949 32.500 0.102 0.000 1.452 504 K HN 0.804 nan 8.250 nan 0.000 0.439 505 K N 0.169 120.640 120.400 0.119 0.000 2.569 505 K HA -0.095 4.226 4.320 0.001 0.000 0.280 505 K C 0.767 177.387 176.600 0.033 0.000 0.984 505 K CA 2.182 58.507 56.287 0.062 0.000 1.064 505 K CB -0.357 32.169 32.500 0.043 0.000 0.866 505 K HN 0.864 nan 8.250 nan 0.000 0.492 506 G N 3.036 111.838 108.800 0.004 0.000 2.284 506 G HA2 -0.240 3.720 3.960 0.001 0.000 0.247 506 G HA3 -0.240 3.720 3.960 0.001 0.000 0.247 506 G C -0.289 174.594 174.900 -0.028 0.000 1.012 506 G CA 0.265 45.358 45.100 -0.011 0.000 0.618 506 G HN 0.734 nan 8.290 nan 0.000 0.521 507 D N 0.816 121.199 120.400 -0.029 0.000 2.399 507 D HA 0.431 5.072 4.640 0.001 0.000 0.241 507 D C 1.015 177.231 176.300 -0.140 0.000 1.133 507 D CA 0.635 54.599 54.000 -0.061 0.000 0.890 507 D CB 1.595 42.382 40.800 -0.022 0.000 1.201 507 D HN 0.980 nan 8.370 nan 0.000 0.432 508 V N 0.028 119.866 119.914 -0.126 0.000 2.481 508 V HA 0.713 4.834 4.120 0.001 0.000 0.286 508 V C 0.171 176.148 176.094 -0.195 0.000 1.042 508 V CA -0.719 61.495 62.300 -0.144 0.000 0.928 508 V CB 1.163 32.931 31.823 -0.091 0.000 0.986 508 V HN 0.345 nan 8.190 nan 0.000 0.462 509 V N 2.605 122.385 119.914 -0.223 0.000 3.102 509 V HA 0.723 4.843 4.120 0.001 0.000 0.312 509 V C -0.663 175.339 176.094 -0.154 0.000 1.135 509 V CA -0.949 61.207 62.300 -0.239 0.000 1.022 509 V CB 2.213 33.791 31.823 -0.409 0.000 1.056 509 V HN 0.803 nan 8.190 nan 0.000 0.436 510 I N 2.180 122.676 120.570 -0.124 0.000 2.377 510 I HA 0.632 4.803 4.170 0.001 0.000 0.293 510 I C -0.302 175.779 176.117 -0.061 0.000 0.987 510 I CA -0.679 60.570 61.300 -0.085 0.000 1.185 510 I CB 1.465 39.415 38.000 -0.085 0.000 1.341 510 I HN 0.517 nan 8.210 nan 0.000 0.455 511 V N 6.441 126.330 119.914 -0.043 0.000 2.487 511 V HA 0.450 4.570 4.120 0.001 0.000 0.298 511 V C -0.186 175.907 176.094 -0.002 0.000 1.028 511 V CA -0.674 61.612 62.300 -0.022 0.000 0.860 511 V CB 2.619 34.426 31.823 -0.027 0.000 0.991 511 V HN 0.384 nan 8.190 nan 0.000 0.427 512 L N 5.276 126.506 121.223 0.012 0.000 2.305 512 L HA 0.731 5.071 4.340 0.001 0.000 0.284 512 L C 0.320 177.216 176.870 0.044 0.000 1.013 512 L CA 0.237 55.096 54.840 0.031 0.000 0.819 512 L CB 1.696 43.774 42.059 0.031 0.000 1.227 512 L HN 0.989 nan 8.230 nan 0.000 0.417 513 T N -0.102 114.491 114.554 0.065 0.000 2.804 513 T HA 0.857 5.208 4.350 0.001 0.000 0.290 513 T C -0.078 174.719 174.700 0.162 0.000 1.099 513 T CA -0.617 61.536 62.100 0.088 0.000 1.011 513 T CB 2.357 71.248 68.868 0.038 0.000 1.291 513 T HN 0.572 nan 8.240 nan 0.000 0.523 514 G N -0.905 108.037 108.800 0.236 0.000 2.644 514 G HA2 0.520 4.480 3.960 0.001 0.000 0.307 514 G HA3 0.520 4.480 3.960 0.001 0.000 0.307 514 G C 0.307 175.476 174.900 0.448 0.000 1.250 514 G CA -0.730 44.561 45.100 0.319 0.000 0.996 514 G HN 0.968 nan 8.290 nan 0.000 0.489 515 W N -0.151 121.316 121.300 0.278 0.000 3.077 515 W HA 0.298 4.959 4.660 0.001 0.000 0.266 515 W C 0.210 176.740 176.519 0.019 0.000 1.300 515 W CA -0.206 57.261 57.345 0.203 0.000 1.586 515 W CB -0.180 29.335 29.460 0.092 0.000 1.103 515 W HN 0.596 nan 8.180 nan 0.000 0.652 516 R N -0.258 119.790 120.500 -0.752 0.000 2.716 516 R HA 0.536 4.877 4.340 0.001 0.000 0.271 516 R C -3.093 172.549 176.300 -1.097 0.000 1.028 516 R CA -1.719 53.575 56.100 -1.345 0.000 0.883 516 R CB 0.308 29.662 30.300 -1.577 0.000 1.250 516 R HN -0.401 nan 8.270 nan 0.000 0.465 517 P HA 0.294 nan 4.420 nan 0.000 0.272 517 P C -0.041 177.119 177.300 -0.232 0.000 1.240 517 P CA 0.790 63.564 63.100 -0.543 0.000 0.791 517 P CB 0.467 31.804 31.700 -0.604 0.000 0.978 518 G N 0.058 108.846 108.800 -0.020 0.000 2.712 518 G HA2 -0.099 3.861 3.960 0.001 0.000 0.686 518 G HA3 -0.099 3.861 3.960 0.001 0.000 0.686 518 G C -0.363 174.614 174.900 0.129 0.000 1.321 518 G CA -0.609 44.532 45.100 0.069 0.000 0.813 518 G HN 0.546 nan 8.290 nan 0.000 0.599 519 S N -0.006 115.703 115.700 0.014 0.000 2.573 519 S HA 0.494 4.964 4.470 0.001 0.000 0.277 519 S C 1.630 176.007 174.600 -0.372 0.000 1.346 519 S CA 1.707 59.847 58.200 -0.100 0.000 1.034 519 S CB 0.993 64.133 63.200 -0.099 0.000 0.879 519 S HN 2.597 nan 8.310 nan 0.000 0.528 520 G N 0.976 109.564 108.800 -0.355 0.000 2.141 520 G HA2 -0.226 3.734 3.960 0.001 0.000 0.242 520 G HA3 -0.226 3.734 3.960 0.001 0.000 0.242 520 G C 0.132 174.640 174.900 -0.654 0.000 0.982 520 G CA -0.012 44.781 45.100 -0.512 0.000 0.662 520 G HN 0.606 nan 8.290 nan 0.000 0.527 521 F N 1.457 121.388 119.950 -0.031 0.000 2.683 521 F HA 0.316 4.844 4.527 0.001 0.000 0.306 521 F C 1.391 177.252 175.800 0.101 0.000 1.102 521 F CA -0.078 57.904 58.000 -0.029 0.000 1.244 521 F CB 0.352 39.055 39.000 -0.495 0.000 1.029 521 F HN 0.006 nan 8.300 nan 0.000 0.545 522 T N 3.073 117.735 114.554 0.181 0.000 2.871 522 T HA 0.039 4.390 4.350 0.001 0.000 0.296 522 T C 1.037 175.865 174.700 0.213 0.000 0.998 522 T CA 0.476 62.681 62.100 0.175 0.000 1.162 522 T CB 0.122 69.046 68.868 0.092 0.000 0.947 522 T HN 0.512 nan 8.240 nan 0.000 0.536 523 N N 0.425 119.264 118.700 0.232 0.000 1.856 523 N HA -0.036 4.704 4.740 0.001 0.000 0.223 523 N C -0.801 174.803 175.510 0.158 0.000 1.438 523 N CA -0.383 52.792 53.050 0.209 0.000 0.693 523 N CB 0.592 39.256 38.487 0.296 0.000 1.051 523 N HN 0.401 nan 8.380 nan 0.000 0.563 524 T N 2.096 116.738 114.554 0.148 0.000 2.809 524 T HA 0.439 4.790 4.350 0.001 0.000 0.284 524 T C -0.749 173.993 174.700 0.070 0.000 0.992 524 T CA -0.442 61.723 62.100 0.109 0.000 0.957 524 T CB 1.644 70.588 68.868 0.128 0.000 0.942 524 T HN 0.151 nan 8.240 nan 0.000 0.439 525 M N 3.826 123.454 119.600 0.046 0.000 2.364 525 M HA 0.575 5.056 4.480 0.001 0.000 0.334 525 M C -1.165 175.141 176.300 0.010 0.000 1.107 525 M CA -0.593 54.721 55.300 0.023 0.000 0.988 525 M CB 1.439 34.047 32.600 0.014 0.000 1.673 525 M HN 0.533 nan 8.290 nan 0.000 0.441 526 R N 2.658 123.155 120.500 -0.005 0.000 2.621 526 R HA 0.608 4.948 4.340 0.001 0.000 0.284 526 R C -1.520 174.761 176.300 -0.033 0.000 0.998 526 R CA -0.789 55.302 56.100 -0.015 0.000 0.895 526 R CB 2.677 32.969 30.300 -0.014 0.000 1.195 526 R HN 0.519 nan 8.270 nan 0.000 0.450 527 V N 4.223 124.116 119.914 -0.035 0.000 2.383 527 V HA 0.442 4.562 4.120 0.001 0.000 0.275 527 V C 0.025 176.087 176.094 -0.053 0.000 1.036 527 V CA -0.510 61.760 62.300 -0.050 0.000 0.889 527 V CB 1.270 33.067 31.823 -0.043 0.000 0.985 527 V HN 0.583 nan 8.190 nan 0.000 0.459 528 V N 3.591 123.461 119.914 -0.074 0.000 3.049 528 V HA 0.775 4.895 4.120 0.001 0.000 0.309 528 V C -2.860 173.174 176.094 -0.100 0.000 1.148 528 V CA -2.423 59.833 62.300 -0.074 0.000 0.990 528 V CB 2.486 34.269 31.823 -0.068 0.000 1.039 528 V HN 0.624 nan 8.190 nan 0.000 0.430 529 P HA 0.279 nan 4.420 nan 0.000 0.278 529 P C -0.169 177.064 177.300 -0.112 0.000 1.238 529 P CA -0.088 62.956 63.100 -0.093 0.000 0.794 529 P CB 1.410 33.076 31.700 -0.056 0.000 0.955 530 V N 5.478 125.299 119.914 -0.154 0.000 2.540 530 V HA 0.045 4.165 4.120 0.001 0.000 0.297 530 V C -1.253 174.824 176.094 -0.029 0.000 1.024 530 V CA -0.577 61.649 62.300 -0.125 0.000 1.105 530 V CB -0.260 31.479 31.823 -0.140 0.000 0.938 530 V HN 0.657 nan 8.190 nan 0.000 0.482 531 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 31.705 31.700 0.009 0.000 0.726