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 1w18_1_B DATA FIRST_RESID 62 DATA SEQUENCE AGVPGFPLPS IHTQQAYDPQ SDFTARWTRA DALQIKAHSD ATVAAGQNSL DATA SEQUENCE PAQLTMPNIP ADFPVINPDV WVWDTWTLID KHADQFSYNG WEVIFCLTAD DATA SEQUENCE PNAGYGFDDR HVHARIGFFY RRAGIPASRR PVNGGWTYGG HLFPDGASAQ DATA SEQUENCE VYAGQTYTNQ AEWSGSSRLM QIHGNTVSVF YTDVAFNRDA NANNITPPQA DATA SEQUENCE IITQTLGRIH ADFNHVWFTG FTAHTPLLQP DGVLYQNGAQ NEFFNFRDPF DATA SEQUENCE TFEDPKHPGV NYMVFEGNTA GQRGVANcTE ADLGFRPNDP NAETLQEVLD DATA SEQUENCE SGAYYQKANI GLAIATDSTL SKWKFLSPLI SANcVNDQTE RPQVYLHNGK DATA SEQUENCE YYIFTISHRT TFAAGVDGPD GVYGFVGDGI RSDFQPMNYG SGLTMGNPTD DATA SEQUENCE LNTAAGTDFD PSPDQNPRAF QSYSHYVMPG GLVESFIDTV ENRRGGTLAP DATA SEQUENCE TVRVRIAQNA SAVDLRYGNG GLGGYGDIPA NRADVNIAGF IQD 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 62 A HA 0.000 nan 4.320 nan 0.000 0.244 62 A C 0.000 177.658 177.584 0.124 0.000 1.274 62 A CA 0.000 52.116 52.037 0.132 0.000 0.836 62 A CB 0.000 19.088 19.000 0.146 0.000 0.831 63 G N -1.140 107.748 108.800 0.147 0.000 2.906 63 G HA2 0.432 4.392 3.960 -0.000 0.000 0.686 63 G HA3 0.432 4.392 3.960 -0.000 0.000 0.686 63 G C -0.829 174.110 174.900 0.065 0.000 1.170 63 G CA -0.288 44.883 45.100 0.118 0.000 0.775 63 G HN 1.472 nan 8.290 nan 0.000 0.630 64 V N 3.648 123.571 119.914 0.015 0.000 2.483 64 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 64 V C -1.633 174.525 176.094 0.107 0.000 1.035 64 V CA -1.656 60.610 62.300 -0.056 0.000 0.896 64 V CB 1.893 33.500 31.823 -0.360 0.000 0.986 64 V HN 0.700 nan 8.190 nan 0.000 0.447 65 P HA 0.215 nan 4.420 nan 0.000 0.265 65 P C 0.954 178.351 177.300 0.162 0.000 1.193 65 P CA 1.327 64.486 63.100 0.098 0.000 0.765 65 P CB 0.523 32.255 31.700 0.053 0.000 0.823 66 G N 0.838 109.656 108.800 0.031 0.000 2.179 66 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 66 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 66 G C -0.187 174.469 174.900 -0.406 0.000 0.977 66 G CA -0.402 44.595 45.100 -0.171 0.000 0.641 66 G HN 0.414 nan 8.290 nan 0.000 0.533 67 F N 1.383 121.309 119.950 -0.039 0.000 2.563 67 F HA 0.626 5.153 4.527 0.000 0.000 0.316 67 F C -1.860 173.946 175.800 0.009 0.000 1.076 67 F CA -2.288 55.700 58.000 -0.020 0.000 0.921 67 F CB 2.267 41.247 39.000 -0.033 0.000 1.209 67 F HN -0.154 nan 8.300 nan 0.000 0.462 68 P HA 0.194 nan 4.420 nan 0.000 0.274 68 P C -0.692 176.753 177.300 0.242 0.000 1.246 68 P CA -0.234 62.973 63.100 0.178 0.000 0.795 68 P CB 0.972 32.806 31.700 0.224 0.000 1.006 69 L N 1.876 123.231 121.223 0.220 0.000 2.418 69 L HA 0.311 4.651 4.340 -0.000 0.000 0.265 69 L C -1.764 175.241 176.870 0.224 0.000 1.143 69 L CA -2.092 52.867 54.840 0.198 0.000 0.809 69 L CB 0.239 42.389 42.059 0.152 0.000 1.124 69 L HN 0.251 nan 8.230 nan 0.000 0.456 70 P HA 0.041 nan 4.420 nan 0.000 0.269 70 P C -0.448 176.942 177.300 0.150 0.000 1.209 70 P CA -0.255 62.966 63.100 0.202 0.000 0.776 70 P CB 0.617 32.449 31.700 0.219 0.000 0.876 71 S N 1.464 117.233 115.700 0.115 0.000 2.559 71 S HA 0.028 4.498 4.470 -0.000 0.000 0.282 71 S C 0.752 175.308 174.600 -0.074 0.000 1.336 71 S CA 0.030 58.214 58.200 -0.026 0.000 1.037 71 S CB -0.273 62.840 63.200 -0.146 0.000 0.853 71 S HN 0.289 nan 8.310 nan 0.000 0.523 72 I N 3.659 124.149 120.570 -0.133 0.000 2.416 72 I HA 0.144 4.314 4.170 -0.000 0.000 0.288 72 I C 0.360 176.334 176.117 -0.239 0.000 1.051 72 I CA 0.581 61.828 61.300 -0.088 0.000 1.375 72 I CB 0.245 38.229 38.000 -0.027 0.000 1.407 72 I HN 0.525 nan 8.210 nan 0.000 0.516 73 H N 4.256 123.385 119.070 0.098 0.000 2.589 73 H HA 0.245 4.801 4.556 -0.000 0.000 0.351 73 H C 0.796 176.160 175.328 0.060 0.000 1.074 73 H CA -0.175 55.936 56.048 0.105 0.000 1.203 73 H CB 1.867 31.712 29.762 0.138 0.000 1.558 73 H HN 0.653 nan 8.280 nan 0.000 0.522 74 T N -0.665 113.975 114.554 0.143 0.000 3.054 74 T HA -0.064 4.286 4.350 -0.000 0.000 0.259 74 T C 0.805 175.500 174.700 -0.007 0.000 1.092 74 T CA 0.520 62.645 62.100 0.042 0.000 1.121 74 T CB 0.258 69.123 68.868 -0.004 0.000 0.912 74 T HN 0.732 nan 8.240 nan 0.000 0.489 75 Q N 0.421 120.215 119.800 -0.009 0.000 2.305 75 Q HA -0.229 4.111 4.340 -0.000 0.000 0.203 75 Q C 0.126 175.997 176.000 -0.215 0.000 0.663 75 Q CA 1.021 56.759 55.803 -0.109 0.000 1.389 75 Q CB -1.617 27.075 28.738 -0.078 0.000 1.566 75 Q HN 0.973 nan 8.270 nan 0.000 0.755 76 Q N 0.164 119.818 119.800 -0.243 0.000 2.421 76 Q HA 0.561 4.901 4.340 -0.000 0.000 0.255 76 Q C -0.102 175.576 176.000 -0.536 0.000 1.013 76 Q CA 0.445 56.019 55.803 -0.382 0.000 0.895 76 Q CB 0.875 29.340 28.738 -0.455 0.000 1.271 76 Q HN 0.249 nan 8.270 nan 0.000 0.460 77 A N 2.536 125.045 122.820 -0.518 0.000 2.316 77 A HA 0.560 4.880 4.320 -0.000 0.000 0.284 77 A C -1.389 175.847 177.584 -0.580 0.000 1.115 77 A CA -0.480 51.284 52.037 -0.454 0.000 0.812 77 A CB 0.335 19.135 19.000 -0.333 0.000 1.064 77 A HN 0.681 nan 8.150 nan 0.000 0.489 78 Y N 0.013 120.141 120.300 -0.287 0.000 2.499 78 Y HA 0.277 4.827 4.550 0.000 0.000 0.347 78 Y C 0.366 176.194 175.900 -0.120 0.000 0.987 78 Y CA -0.875 57.102 58.100 -0.204 0.000 1.044 78 Y CB 1.277 39.600 38.460 -0.229 0.000 1.245 78 Y HN 0.748 nan 8.280 nan 0.000 0.461 79 D N 3.483 123.936 120.400 0.088 0.000 2.658 79 D HA -0.072 4.568 4.640 -0.000 0.000 0.230 79 D C -1.761 174.588 176.300 0.082 0.000 1.118 79 D CA -0.415 53.627 54.000 0.070 0.000 0.848 79 D CB 1.290 42.135 40.800 0.074 0.000 1.160 79 D HN 0.288 nan 8.370 nan 0.000 0.497 80 P HA -0.144 nan 4.420 nan 0.000 0.216 80 P C 1.016 178.391 177.300 0.125 0.000 1.150 80 P CA 1.114 64.239 63.100 0.042 0.000 0.837 80 P CB 0.219 31.883 31.700 -0.059 0.000 0.786 81 Q N -0.133 119.750 119.800 0.138 0.000 2.482 81 Q HA 0.005 4.345 4.340 -0.000 0.000 0.209 81 Q C 0.703 176.768 176.000 0.108 0.000 0.961 81 Q CA 0.074 55.959 55.803 0.136 0.000 0.945 81 Q CB -0.458 28.345 28.738 0.109 0.000 1.012 81 Q HN 0.271 nan 8.270 nan 0.000 0.515 82 S N -0.586 115.176 115.700 0.103 0.000 2.694 82 S HA 0.162 4.632 4.470 -0.000 0.000 0.278 82 S C 0.433 175.079 174.600 0.077 0.000 1.152 82 S CA -0.187 58.067 58.200 0.090 0.000 1.010 82 S CB 0.909 64.173 63.200 0.106 0.000 1.104 82 S HN 0.299 nan 8.310 nan 0.000 0.547 83 D N -0.807 119.624 120.400 0.052 0.000 2.462 83 D HA 0.135 4.775 4.640 -0.000 0.000 0.221 83 D C -0.200 176.079 176.300 -0.035 0.000 1.173 83 D CA -0.610 53.397 54.000 0.012 0.000 0.831 83 D CB -0.686 40.112 40.800 -0.004 0.000 1.001 83 D HN 0.393 nan 8.370 nan 0.000 0.499 84 F N 1.655 121.484 119.950 -0.201 0.000 2.484 84 F HA 0.410 4.937 4.527 0.000 0.000 0.360 84 F C -0.321 175.334 175.800 -0.241 0.000 1.101 84 F CA 0.293 58.087 58.000 -0.343 0.000 1.251 84 F CB 1.100 39.600 39.000 -0.833 0.000 1.132 84 F HN -0.241 nan 8.300 nan 0.000 0.570 85 T N 6.467 120.427 114.554 -0.989 0.000 2.840 85 T HA 0.616 4.966 4.350 -0.000 0.000 0.287 85 T C -0.336 173.881 174.700 -0.805 0.000 0.991 85 T CA -0.454 61.282 62.100 -0.606 0.000 0.964 85 T CB 1.080 69.745 68.868 -0.338 0.000 0.954 85 T HN 0.856 nan 8.240 nan 0.000 0.438 86 A N 3.976 126.639 122.820 -0.261 0.000 2.425 86 A HA 0.565 4.885 4.320 -0.000 0.000 0.242 86 A C 0.262 177.828 177.584 -0.030 0.000 1.077 86 A CA -0.265 51.779 52.037 0.011 0.000 0.781 86 A CB 0.352 19.537 19.000 0.307 0.000 1.020 86 A HN 0.781 nan 8.150 nan 0.000 0.494 87 R N 0.820 121.377 120.500 0.095 0.000 2.393 87 R HA 0.147 4.487 4.340 -0.000 0.000 0.315 87 R C -1.448 175.036 176.300 0.306 0.000 0.952 87 R CA -0.384 55.791 56.100 0.125 0.000 0.842 87 R CB 1.466 31.807 30.300 0.068 0.000 1.163 87 R HN 0.783 nan 8.270 nan 0.000 0.450 88 W N 6.107 127.432 121.300 0.042 0.000 2.497 88 W HA 0.067 4.727 4.660 0.000 0.000 0.354 88 W C 0.068 176.663 176.519 0.127 0.000 1.111 88 W CA -0.579 56.859 57.345 0.154 0.000 1.510 88 W CB -0.054 29.517 29.460 0.185 0.000 1.466 88 W HN 0.598 nan 8.180 nan 0.000 0.409 89 T N 2.197 116.908 114.554 0.261 0.000 2.788 89 T HA 0.333 4.683 4.350 -0.000 0.000 0.280 89 T C 1.392 176.004 174.700 -0.146 0.000 0.984 89 T CA -0.385 61.717 62.100 0.004 0.000 0.972 89 T CB 1.338 70.206 68.868 0.001 0.000 1.039 89 T HN 0.547 nan 8.240 nan 0.000 0.530 90 R N 0.373 120.736 120.500 -0.229 0.000 2.073 90 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 90 R C 2.833 179.041 176.300 -0.153 0.000 1.134 90 R CA 1.386 57.358 56.100 -0.212 0.000 0.952 90 R CB -1.111 29.058 30.300 -0.218 0.000 0.850 90 R HN 0.838 nan 8.270 nan 0.000 0.433 91 A N 1.845 124.454 122.820 -0.351 0.000 1.892 91 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 91 A C 1.625 179.283 177.584 0.124 0.000 1.188 91 A CA 2.052 54.019 52.037 -0.116 0.000 0.631 91 A CB -0.536 18.310 19.000 -0.257 0.000 0.822 91 A HN 0.239 nan 8.150 nan 0.000 0.447 92 D N 0.077 120.574 120.400 0.162 0.000 2.103 92 D HA -0.129 4.511 4.640 -0.000 0.000 0.190 92 D C 2.230 178.730 176.300 0.333 0.000 0.997 92 D CA 1.945 56.142 54.000 0.329 0.000 0.833 92 D CB -0.669 40.463 40.800 0.554 0.000 0.961 92 D HN 0.446 nan 8.370 nan 0.000 0.447 93 A N 0.427 123.366 122.820 0.199 0.000 2.015 93 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 93 A C 2.354 180.016 177.584 0.131 0.000 1.163 93 A CA 0.587 52.735 52.037 0.186 0.000 0.646 93 A CB -0.717 18.159 19.000 -0.207 0.000 0.806 93 A HN 0.200 nan 8.150 nan 0.000 0.448 94 L N -0.244 121.052 121.223 0.122 0.000 2.450 94 L HA -0.179 4.161 4.340 -0.000 0.000 0.224 94 L C 2.265 179.237 176.870 0.170 0.000 1.149 94 L CA 0.576 55.511 54.840 0.157 0.000 0.816 94 L CB -0.236 41.967 42.059 0.241 0.000 0.932 94 L HN 0.373 nan 8.230 nan 0.000 0.449 95 Q N -0.374 119.540 119.800 0.190 0.000 2.369 95 Q HA -0.050 4.290 4.340 -0.000 0.000 0.206 95 Q C 2.186 178.277 176.000 0.152 0.000 0.963 95 Q CA 1.099 57.012 55.803 0.183 0.000 0.894 95 Q CB 0.020 28.917 28.738 0.264 0.000 0.965 95 Q HN 0.592 nan 8.270 nan 0.000 0.475 96 I N 0.423 121.070 120.570 0.130 0.000 2.162 96 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 96 I C 2.358 178.461 176.117 -0.022 0.000 1.076 96 I CA 0.901 62.250 61.300 0.081 0.000 1.353 96 I CB -0.293 37.765 38.000 0.098 0.000 1.063 96 I HN -0.006 nan 8.210 nan 0.000 0.408 97 K N 1.143 121.519 120.400 -0.040 0.000 2.113 97 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 97 K C 2.138 178.569 176.600 -0.282 0.000 1.047 97 K CA 1.683 57.936 56.287 -0.058 0.000 0.928 97 K CB -0.359 32.186 32.500 0.075 0.000 0.716 97 K HN 0.379 nan 8.250 nan 0.000 0.446 98 A N -0.108 122.359 122.820 -0.589 0.000 1.969 98 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 98 A C 1.500 178.439 177.584 -1.076 0.000 1.169 98 A CA 1.371 52.458 52.037 -1.584 0.000 0.635 98 A CB -0.437 17.814 19.000 -1.249 0.000 0.810 98 A HN 0.372 nan 8.150 nan 0.000 0.445 99 H N -0.846 117.910 119.070 -0.523 0.000 2.592 99 H HA 0.203 4.759 4.556 -0.000 0.000 0.265 99 H C 1.150 176.309 175.328 -0.282 0.000 0.955 99 H CA 0.496 56.278 56.048 -0.443 0.000 1.175 99 H CB 0.240 29.651 29.762 -0.584 0.000 1.433 99 H HN 0.418 nan 8.280 nan 0.000 0.537 100 S N 1.140 116.756 115.700 -0.141 0.000 2.549 100 S HA -0.074 4.396 4.470 -0.000 0.000 0.286 100 S C 0.038 174.581 174.600 -0.095 0.000 1.314 100 S CA -0.745 57.401 58.200 -0.089 0.000 1.062 100 S CB 0.365 63.527 63.200 -0.065 0.000 0.865 100 S HN 0.259 nan 8.310 nan 0.000 0.498 101 D N 3.440 123.803 120.400 -0.060 0.000 2.336 101 D HA 0.411 5.051 4.640 -0.000 0.000 0.249 101 D C 0.786 177.071 176.300 -0.026 0.000 1.213 101 D CA -0.040 53.932 54.000 -0.046 0.000 0.870 101 D CB 1.130 41.909 40.800 -0.034 0.000 1.076 101 D HN 0.630 nan 8.370 nan 0.000 0.483 102 A N 3.076 125.888 122.820 -0.013 0.000 2.167 102 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 102 A C 1.966 179.551 177.584 0.000 0.000 1.151 102 A CA 0.718 52.757 52.037 0.004 0.000 0.735 102 A CB -0.042 18.974 19.000 0.026 0.000 0.802 102 A HN 0.586 nan 8.150 nan 0.000 0.467 103 T N 0.184 114.735 114.554 -0.005 0.000 2.904 103 T HA 0.022 4.372 4.350 -0.000 0.000 0.267 103 T C 1.018 175.715 174.700 -0.005 0.000 1.059 103 T CA 0.912 63.009 62.100 -0.004 0.000 1.137 103 T CB -0.791 68.073 68.868 -0.006 0.000 0.879 103 T HN 0.534 nan 8.240 nan 0.000 0.467 104 V N 1.021 120.930 119.914 -0.008 0.000 2.763 104 V HA 0.593 4.713 4.120 -0.000 0.000 0.306 104 V C 0.448 176.539 176.094 -0.006 0.000 1.059 104 V CA -1.762 60.534 62.300 -0.008 0.000 1.138 104 V CB -0.319 31.497 31.823 -0.011 0.000 0.940 104 V HN 0.337 nan 8.190 nan 0.000 0.489 105 A N 4.350 127.168 122.820 -0.004 0.000 2.483 105 A HA 0.618 4.938 4.320 -0.000 0.000 0.238 105 A C 1.134 178.717 177.584 -0.003 0.000 1.070 105 A CA 0.016 52.052 52.037 -0.003 0.000 0.770 105 A CB -0.368 18.632 19.000 -0.001 0.000 1.008 105 A HN 2.548 nan 8.150 nan 0.000 0.497 106 A N 1.179 123.998 122.820 -0.001 0.000 2.600 106 A HA 0.387 4.707 4.320 -0.000 0.000 0.253 106 A C 1.814 179.398 177.584 -0.001 0.000 0.997 106 A CA 1.362 53.399 52.037 -0.001 0.000 0.820 106 A CB -1.127 17.874 19.000 0.002 0.000 0.888 106 A HN 2.849 nan 8.150 nan 0.000 0.508 107 G N 1.105 109.903 108.800 -0.004 0.000 2.241 107 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 107 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 107 G C 0.354 175.249 174.900 -0.009 0.000 0.998 107 G CA 0.457 45.554 45.100 -0.005 0.000 0.621 107 G HN 0.946 nan 8.290 nan 0.000 0.519 108 Q N 0.828 120.623 119.800 -0.009 0.000 2.394 108 Q HA 0.159 4.499 4.340 -0.000 0.000 0.248 108 Q C 0.692 176.681 176.000 -0.018 0.000 0.992 108 Q CA -0.313 55.483 55.803 -0.011 0.000 0.888 108 Q CB 0.420 29.153 28.738 -0.008 0.000 1.257 108 Q HN 0.605 nan 8.270 nan 0.000 0.462 109 N N 0.052 118.740 118.700 -0.020 0.000 2.412 109 N HA -0.080 4.660 4.740 -0.000 0.000 0.258 109 N C 0.509 176.004 175.510 -0.025 0.000 1.236 109 N CA 0.345 53.379 53.050 -0.027 0.000 0.882 109 N CB 0.572 39.043 38.487 -0.027 0.000 1.066 109 N HN 0.540 nan 8.380 nan 0.000 0.465 110 S N 3.621 119.304 115.700 -0.029 0.000 2.512 110 S HA 0.148 4.618 4.470 -0.000 0.000 0.216 110 S C 0.795 175.376 174.600 -0.030 0.000 1.006 110 S CA -0.504 57.679 58.200 -0.028 0.000 0.915 110 S CB 0.097 63.280 63.200 -0.028 0.000 0.824 110 S HN 0.432 nan 8.310 nan 0.000 0.497 111 L N 2.107 123.312 121.223 -0.031 0.000 2.436 111 L HA 0.425 4.765 4.340 -0.000 0.000 0.265 111 L C -2.420 174.439 176.870 -0.019 0.000 1.168 111 L CA -2.350 52.473 54.840 -0.027 0.000 0.815 111 L CB -0.447 41.590 42.059 -0.038 0.000 1.109 111 L HN -0.052 nan 8.230 nan 0.000 0.462 112 P HA -0.085 nan 4.420 nan 0.000 0.263 112 P C 0.169 177.467 177.300 -0.004 0.000 1.175 112 P CA 0.248 63.359 63.100 0.019 0.000 0.761 112 P CB 0.714 32.464 31.700 0.084 0.000 0.794 113 A N 4.407 127.224 122.820 -0.004 0.000 1.892 113 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 113 A C 1.849 179.411 177.584 -0.036 0.000 1.188 113 A CA 1.767 53.792 52.037 -0.019 0.000 0.631 113 A CB -1.077 17.916 19.000 -0.013 0.000 0.822 113 A HN 0.664 nan 8.150 nan 0.000 0.447 114 Q N 0.185 119.964 119.800 -0.034 0.000 2.515 114 Q HA 0.052 4.392 4.340 -0.000 0.000 0.212 114 Q C 0.863 176.804 176.000 -0.098 0.000 0.970 114 Q CA 1.028 56.793 55.803 -0.063 0.000 0.941 114 Q CB -0.358 28.345 28.738 -0.060 0.000 0.998 114 Q HN 0.670 nan 8.270 nan 0.000 0.518 115 L N 0.806 121.975 121.223 -0.090 0.000 3.014 115 L HA 0.348 4.688 4.340 -0.000 0.000 0.263 115 L C -0.154 176.632 176.870 -0.139 0.000 1.207 115 L CA -0.281 54.478 54.840 -0.134 0.000 1.017 115 L CB 0.789 42.779 42.059 -0.114 0.000 1.360 115 L HN -0.107 nan 8.230 nan 0.000 0.560 116 T N 0.962 115.451 114.554 -0.109 0.000 2.824 116 T HA 0.381 4.731 4.350 -0.000 0.000 0.280 116 T C -0.204 174.434 174.700 -0.103 0.000 0.995 116 T CA -0.331 61.710 62.100 -0.099 0.000 1.009 116 T CB 2.422 71.251 68.868 -0.065 0.000 0.955 116 T HN 0.048 nan 8.240 nan 0.000 0.452 117 M N 3.740 123.278 119.600 -0.103 0.000 2.217 117 M HA 0.278 4.758 4.480 -0.000 0.000 0.354 117 M C -2.268 174.005 176.300 -0.046 0.000 1.225 117 M CA -1.800 53.450 55.300 -0.083 0.000 1.137 117 M CB 0.745 33.305 32.600 -0.068 0.000 1.576 117 M HN 0.252 nan 8.290 nan 0.000 0.461 118 P HA 0.004 nan 4.420 nan 0.000 0.266 118 P C -1.235 176.062 177.300 -0.005 0.000 1.193 118 P CA 0.089 63.178 63.100 -0.018 0.000 0.770 118 P CB 0.272 31.964 31.700 -0.013 0.000 0.836 119 N N 1.635 120.338 118.700 0.005 0.000 2.458 119 N HA 0.088 4.828 4.740 -0.000 0.000 0.258 119 N C 0.025 175.558 175.510 0.039 0.000 1.219 119 N CA 0.279 53.343 53.050 0.023 0.000 0.902 119 N CB -0.130 38.375 38.487 0.029 0.000 1.076 119 N HN 0.320 nan 8.380 nan 0.000 0.455 120 I N 3.491 124.099 120.570 0.063 0.000 2.365 120 I HA 0.220 4.390 4.170 -0.000 0.000 0.291 120 I C -1.885 174.335 176.117 0.172 0.000 1.004 120 I CA -2.029 59.334 61.300 0.105 0.000 1.311 120 I CB 1.272 39.331 38.000 0.099 0.000 1.401 120 I HN 0.246 nan 8.210 nan 0.000 0.491 121 P HA -0.034 nan 4.420 nan 0.000 0.264 121 P C 0.215 177.678 177.300 0.273 0.000 1.183 121 P CA 0.028 63.258 63.100 0.216 0.000 0.763 121 P CB 0.771 32.612 31.700 0.235 0.000 0.807 122 A N 3.132 126.054 122.820 0.170 0.000 2.168 122 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 122 A C 1.088 178.661 177.584 -0.018 0.000 1.152 122 A CA 1.269 53.385 52.037 0.132 0.000 0.716 122 A CB -0.758 18.283 19.000 0.069 0.000 0.794 122 A HN 0.613 nan 8.150 nan 0.000 0.465 123 D N -0.135 120.257 120.400 -0.013 0.000 2.587 123 D HA 0.147 4.787 4.640 -0.000 0.000 0.233 123 D C 0.249 176.455 176.300 -0.156 0.000 1.213 123 D CA -0.820 53.100 54.000 -0.134 0.000 0.827 123 D CB -1.330 39.435 40.800 -0.058 0.000 1.006 123 D HN 0.438 nan 8.370 nan 0.000 0.490 124 F N 0.524 120.463 119.950 -0.017 0.000 2.589 124 F HA 0.392 4.919 4.527 -0.000 0.000 0.352 124 F C -2.103 173.529 175.800 -0.279 0.000 1.168 124 F CA -1.638 56.265 58.000 -0.161 0.000 1.353 124 F CB -0.409 38.577 39.000 -0.023 0.000 1.116 124 F HN -0.177 nan 8.300 nan 0.000 0.608 125 P HA 0.401 nan 4.420 nan 0.000 0.280 125 P C -1.003 176.310 177.300 0.021 0.000 1.272 125 P CA -0.514 62.483 63.100 -0.171 0.000 0.819 125 P CB 1.965 33.509 31.700 -0.260 0.000 1.122 126 V N -1.462 118.468 119.914 0.027 0.000 2.715 126 V HA 0.348 4.468 4.120 -0.000 0.000 0.310 126 V C 1.406 177.523 176.094 0.039 0.000 1.054 126 V CA -0.655 61.695 62.300 0.084 0.000 0.928 126 V CB 1.352 33.236 31.823 0.102 0.000 1.007 126 V HN 0.599 nan 8.190 nan 0.000 0.437 127 I N 1.703 122.288 120.570 0.026 0.000 2.286 127 I HA 0.014 4.184 4.170 -0.000 0.000 0.248 127 I C 0.788 176.918 176.117 0.021 0.000 1.115 127 I CA 1.411 62.698 61.300 -0.022 0.000 1.392 127 I CB 0.121 37.988 38.000 -0.222 0.000 1.065 127 I HN 0.965 nan 8.210 nan 0.000 0.418 128 N N -0.707 118.012 118.700 0.031 0.000 2.554 128 N HA 0.146 4.886 4.740 -0.000 0.000 0.271 128 N C -2.394 173.119 175.510 0.005 0.000 1.081 128 N CA -1.012 52.063 53.050 0.043 0.000 0.994 128 N CB 1.727 40.262 38.487 0.080 0.000 1.641 128 N HN -0.228 nan 8.380 nan 0.000 0.511 129 P HA 0.051 nan 4.420 nan 0.000 0.221 129 P C 0.010 177.255 177.300 -0.092 0.000 1.150 129 P CA 1.112 64.191 63.100 -0.036 0.000 0.800 129 P CB 0.466 32.146 31.700 -0.034 0.000 0.787 130 D N -0.563 119.776 120.400 -0.102 0.000 2.349 130 D HA 0.078 4.718 4.640 -0.000 0.000 0.214 130 D C 0.555 176.726 176.300 -0.215 0.000 1.063 130 D CA 0.222 54.127 54.000 -0.157 0.000 0.847 130 D CB 0.487 41.224 40.800 -0.105 0.000 0.933 130 D HN 0.137 nan 8.370 nan 0.000 0.513 131 V N -3.126 116.673 119.914 -0.191 0.000 2.971 131 V HA 0.599 4.719 4.120 -0.000 0.000 0.309 131 V C -1.659 174.465 176.094 0.050 0.000 1.130 131 V CA -0.970 61.233 62.300 -0.162 0.000 0.964 131 V CB 2.544 34.180 31.823 -0.312 0.000 1.029 131 V HN -0.157 nan 8.190 nan 0.000 0.427 132 W N 2.880 124.263 121.300 0.138 0.000 2.390 132 W HA 0.796 5.456 4.660 -0.000 0.000 0.312 132 W C -0.559 176.153 176.519 0.321 0.000 1.123 132 W CA -0.980 56.519 57.345 0.257 0.000 1.202 132 W CB 1.706 31.386 29.460 0.365 0.000 1.251 132 W HN 0.593 nan 8.180 nan 0.000 0.511 133 V N 5.014 125.230 119.914 0.504 0.000 2.588 133 V HA 0.415 4.535 4.120 -0.000 0.000 0.304 133 V C -0.345 175.892 176.094 0.238 0.000 1.042 133 V CA -0.587 61.869 62.300 0.261 0.000 0.877 133 V CB 1.556 33.399 31.823 0.033 0.000 0.996 133 V HN 0.751 nan 8.190 nan 0.000 0.425 134 W N 1.932 123.021 121.300 -0.351 0.000 4.480 134 W HA 0.525 5.185 4.660 -0.000 0.000 0.613 134 W C -0.610 175.692 176.519 -0.361 0.000 3.468 134 W CA -0.387 56.395 57.345 -0.938 0.000 1.136 134 W CB -0.114 28.348 29.460 -1.663 0.000 2.120 134 W HN 0.329 nan 8.180 nan 0.000 0.350 135 D N 2.263 122.473 120.400 -0.317 0.000 2.520 135 D HA 0.206 4.846 4.640 -0.000 0.000 0.243 135 D C -0.365 175.967 176.300 0.053 0.000 1.160 135 D CA 0.931 54.983 54.000 0.087 0.000 0.877 135 D CB 0.902 41.791 40.800 0.149 0.000 1.150 135 D HN 0.085 nan 8.370 nan 0.000 0.494 136 T N 2.713 117.354 114.554 0.145 0.000 2.863 136 T HA 0.640 4.990 4.350 -0.000 0.000 0.285 136 T C -0.316 174.496 174.700 0.186 0.000 1.009 136 T CA -0.829 61.267 62.100 -0.008 0.000 0.989 136 T CB 0.912 69.722 68.868 -0.097 0.000 1.004 136 T HN 0.513 nan 8.240 nan 0.000 0.455 137 W N 0.558 121.827 121.300 -0.052 0.000 3.165 137 W HA 0.847 5.507 4.660 -0.000 0.000 0.351 137 W C -0.443 176.120 176.519 0.072 0.000 1.164 137 W CA -0.919 56.362 57.345 -0.107 0.000 1.074 137 W CB 0.778 30.186 29.460 -0.086 0.000 1.499 137 W HN 0.635 nan 8.180 nan 0.000 0.600 138 T N -0.037 114.737 114.554 0.367 0.000 2.645 138 T HA 0.514 4.864 4.350 -0.000 0.000 0.273 138 T C -1.745 173.320 174.700 0.609 0.000 0.960 138 T CA -0.757 61.544 62.100 0.334 0.000 1.051 138 T CB 0.984 70.000 68.868 0.246 0.000 1.366 138 T HN 0.566 nan 8.240 nan 0.000 0.536 139 L N 3.489 125.026 121.223 0.524 0.000 2.270 139 L HA 0.601 4.941 4.340 -0.000 0.000 0.286 139 L C -0.353 176.807 176.870 0.484 0.000 1.059 139 L CA -0.328 54.852 54.840 0.566 0.000 0.839 139 L CB -0.674 41.692 42.059 0.513 0.000 1.221 139 L HN 0.531 nan 8.230 nan 0.000 0.431 140 I N 1.045 121.868 120.570 0.423 0.000 2.863 140 I HA 0.679 4.849 4.170 -0.000 0.000 0.311 140 I C -0.435 175.838 176.117 0.260 0.000 1.026 140 I CA -0.819 60.730 61.300 0.416 0.000 1.077 140 I CB 1.735 39.973 38.000 0.397 0.000 1.262 140 I HN 0.531 nan 8.210 nan 0.000 0.461 141 D N 2.571 123.135 120.400 0.273 0.000 2.539 141 D HA 0.155 4.795 4.640 -0.000 0.000 0.276 141 D C 0.596 177.004 176.300 0.181 0.000 1.206 141 D CA -0.715 53.337 54.000 0.086 0.000 1.081 141 D CB 0.842 41.605 40.800 -0.061 0.000 1.142 141 D HN 0.788 nan 8.370 nan 0.000 0.595 142 K N -1.279 119.210 120.400 0.148 0.000 2.520 142 K HA -0.143 4.177 4.320 -0.000 0.000 0.197 142 K C 0.921 177.821 176.600 0.500 0.000 1.043 142 K CA 1.346 57.789 56.287 0.261 0.000 0.944 142 K CB -0.484 32.145 32.500 0.215 0.000 0.770 142 K HN 0.454 nan 8.250 nan 0.000 0.480 143 H N -0.809 118.399 119.070 0.229 0.000 2.674 143 H HA 0.365 4.921 4.556 -0.000 0.000 0.274 143 H C 0.304 175.788 175.328 0.260 0.000 1.121 143 H CA -0.166 56.025 56.048 0.239 0.000 1.132 143 H CB 0.981 30.862 29.762 0.197 0.000 1.606 143 H HN 0.376 nan 8.280 nan 0.000 0.558 144 A N 0.890 123.963 122.820 0.422 0.000 3.172 144 A HA -0.197 4.123 4.320 -0.000 0.000 0.263 144 A C 0.081 177.919 177.584 0.423 0.000 1.215 144 A CA 0.894 53.201 52.037 0.449 0.000 1.065 144 A CB -1.589 17.724 19.000 0.521 0.000 1.148 144 A HN 0.417 nan 8.150 nan 0.000 0.904 145 D N 0.942 121.587 120.400 0.408 0.000 2.382 145 D HA 0.360 5.000 4.640 -0.000 0.000 0.240 145 D C 0.646 177.200 176.300 0.424 0.000 1.146 145 D CA 0.509 54.713 54.000 0.340 0.000 0.897 145 D CB 0.369 41.332 40.800 0.271 0.000 1.197 145 D HN 0.667 nan 8.370 nan 0.000 0.432 146 Q N 1.079 121.027 119.800 0.247 0.000 2.325 146 Q HA 0.405 4.745 4.340 -0.000 0.000 0.262 146 Q C -0.894 175.199 176.000 0.155 0.000 0.968 146 Q CA -0.568 55.423 55.803 0.313 0.000 0.877 146 Q CB 1.363 30.272 28.738 0.284 0.000 1.253 146 Q HN 0.268 nan 8.270 nan 0.000 0.448 147 F N 1.210 121.298 119.950 0.230 0.000 2.444 147 F HA 0.253 4.780 4.527 -0.000 0.000 0.342 147 F C 0.647 176.591 175.800 0.239 0.000 1.121 147 F CA -0.594 57.534 58.000 0.214 0.000 0.997 147 F CB 1.776 40.902 39.000 0.211 0.000 1.130 147 F HN 0.438 nan 8.300 nan 0.000 0.454 148 S N 2.798 118.690 115.700 0.320 0.000 2.617 148 S HA 0.451 4.921 4.470 -0.000 0.000 0.269 148 S C -1.148 173.677 174.600 0.375 0.000 1.292 148 S CA -0.542 57.845 58.200 0.312 0.000 1.010 148 S CB 1.162 64.474 63.200 0.187 0.000 0.944 148 S HN 0.616 nan 8.310 nan 0.000 0.536 149 Y N 1.283 121.717 120.300 0.222 0.000 2.338 149 Y HA 0.335 4.885 4.550 0.000 0.000 0.333 149 Y C -0.198 175.781 175.900 0.131 0.000 0.968 149 Y CA -0.607 57.590 58.100 0.162 0.000 1.123 149 Y CB 0.712 39.245 38.460 0.122 0.000 1.165 149 Y HN 0.860 nan 8.280 nan 0.000 0.452 150 N N 4.626 123.018 118.700 -0.514 0.000 2.699 150 N HA -0.219 4.521 4.740 -0.000 0.000 0.256 150 N C 0.893 176.214 175.510 -0.315 0.000 0.993 150 N CA 1.819 54.557 53.050 -0.520 0.000 0.759 150 N CB -1.045 37.050 38.487 -0.653 0.000 0.906 150 N HN 1.312 nan 8.380 nan 0.000 0.541 151 G N -2.892 105.770 108.800 -0.230 0.000 2.176 151 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.253 151 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.253 151 G C -0.168 174.560 174.900 -0.288 0.000 0.979 151 G CA 0.305 45.228 45.100 -0.296 0.000 0.641 151 G HN 0.403 nan 8.290 nan 0.000 0.530 152 W N 1.125 122.470 121.300 0.075 0.000 2.529 152 W HA 0.673 5.333 4.660 0.000 0.000 0.321 152 W C 0.416 177.061 176.519 0.210 0.000 1.047 152 W CA -0.983 56.456 57.345 0.157 0.000 1.216 152 W CB 1.058 30.619 29.460 0.168 0.000 1.357 152 W HN 0.070 nan 8.180 nan 0.000 0.489 153 E N 1.456 121.944 120.200 0.481 0.000 2.331 153 E HA 0.422 4.772 4.350 -0.000 0.000 0.272 153 E C -0.809 176.159 176.600 0.613 0.000 1.036 153 E CA -0.365 56.309 56.400 0.458 0.000 0.864 153 E CB 1.503 31.413 29.700 0.350 0.000 1.035 153 E HN 0.135 nan 8.360 nan 0.000 0.408 154 V N 4.231 124.441 119.914 0.493 0.000 2.841 154 V HA 0.476 4.596 4.120 -0.000 0.000 0.310 154 V C -0.224 175.858 176.094 -0.020 0.000 1.090 154 V CA -0.757 61.738 62.300 0.326 0.000 0.930 154 V CB 1.567 33.482 31.823 0.153 0.000 1.014 154 V HN 0.546 nan 8.190 nan 0.000 0.425 155 I N -0.057 120.336 120.570 -0.296 0.000 3.002 155 I HA 0.786 4.956 4.170 -0.000 0.000 0.310 155 I C -1.570 174.046 176.117 -0.835 0.000 1.087 155 I CA -0.823 60.133 61.300 -0.575 0.000 1.017 155 I CB 2.518 40.121 38.000 -0.661 0.000 1.226 155 I HN 0.413 nan 8.210 nan 0.000 0.443 156 F N 2.064 121.695 119.950 -0.532 0.000 2.529 156 F HA 0.693 5.220 4.527 0.000 0.000 0.320 156 F C -0.348 174.782 175.800 -1.116 0.000 1.118 156 F CA -0.547 56.935 58.000 -0.864 0.000 0.915 156 F CB 2.008 40.188 39.000 -1.367 0.000 1.161 156 F HN 0.512 nan 8.300 nan 0.000 0.445 157 C N 2.995 121.954 119.300 -0.568 0.000 2.797 157 C HA 0.542 5.002 4.460 -0.000 0.000 0.306 157 C C -0.700 174.023 174.990 -0.445 0.000 1.207 157 C CA -0.993 57.736 59.018 -0.483 0.000 1.507 157 C CB 1.728 29.352 27.740 -0.195 0.000 2.028 157 C HN 0.507 nan 8.230 nan 0.000 0.475 158 L N 3.384 124.254 121.223 -0.589 0.000 2.477 158 L HA 0.348 4.688 4.340 -0.000 0.000 0.272 158 L C 1.019 177.398 176.870 -0.818 0.000 1.157 158 L CA 0.992 55.298 54.840 -0.891 0.000 0.889 158 L CB -0.139 40.836 42.059 -1.806 0.000 1.158 158 L HN 0.960 nan 8.230 nan 0.000 0.473 159 T N 0.966 115.349 114.554 -0.284 0.000 2.912 159 T HA 0.975 5.325 4.350 -0.000 0.000 0.288 159 T C -0.318 174.627 174.700 0.408 0.000 1.030 159 T CA -0.378 61.792 62.100 0.116 0.000 1.020 159 T CB 2.334 71.291 68.868 0.149 0.000 1.056 159 T HN 0.758 nan 8.240 nan 0.000 0.480 160 A N 0.972 124.152 122.820 0.600 0.000 2.568 160 A HA 0.717 5.037 4.320 -0.000 0.000 0.291 160 A C -1.674 176.183 177.584 0.454 0.000 1.159 160 A CA -0.793 51.636 52.037 0.653 0.000 0.679 160 A CB 1.546 21.055 19.000 0.849 0.000 1.285 160 A HN 0.810 nan 8.150 nan 0.000 0.428 161 D N 0.082 120.721 120.400 0.399 0.000 2.414 161 D HA 0.508 5.148 4.640 -0.000 0.000 0.232 161 D C -2.016 173.885 176.300 -0.665 0.000 1.070 161 D CA -1.706 52.229 54.000 -0.108 0.000 0.839 161 D CB 1.765 42.529 40.800 -0.061 0.000 1.079 161 D HN 0.040 nan 8.370 nan 0.000 0.521 162 P HA 0.019 nan 4.420 nan 0.000 0.221 162 P C -0.230 176.629 177.300 -0.735 0.000 1.150 162 P CA 0.724 62.852 63.100 -1.620 0.000 0.800 162 P CB 0.251 31.078 31.700 -1.456 0.000 0.787 163 N N -0.807 117.581 118.700 -0.519 0.000 2.546 163 N HA 0.372 5.112 4.740 -0.000 0.000 0.286 163 N C 0.147 175.467 175.510 -0.317 0.000 1.259 163 N CA -0.302 52.549 53.050 -0.332 0.000 0.939 163 N CB 0.317 38.664 38.487 -0.234 0.000 1.243 163 N HN 0.087 nan 8.380 nan 0.000 0.511 164 A N -0.428 122.110 122.820 -0.471 0.000 3.540 164 A HA 0.787 5.107 4.320 -0.000 0.000 0.180 164 A C 1.545 178.874 177.584 -0.424 0.000 1.231 164 A CA -0.184 51.576 52.037 -0.462 0.000 0.873 164 A CB -0.507 18.094 19.000 -0.664 0.000 1.548 164 A HN 0.224 nan 8.150 nan 0.000 0.570 165 G N -1.575 107.001 108.800 -0.373 0.000 2.430 165 G HA2 0.218 4.178 3.960 -0.000 0.000 0.216 165 G HA3 0.218 4.178 3.960 -0.000 0.000 0.216 165 G C 0.387 175.235 174.900 -0.088 0.000 1.146 165 G CA 1.065 46.074 45.100 -0.152 0.000 0.793 165 G HN 0.695 nan 8.290 nan 0.000 0.537 166 Y N -0.062 120.232 120.300 -0.010 0.000 2.310 166 Y HA 0.699 5.249 4.550 -0.000 0.000 0.326 166 Y C 0.713 176.724 175.900 0.185 0.000 1.151 166 Y CA -2.075 56.060 58.100 0.058 0.000 1.195 166 Y CB 0.543 39.021 38.460 0.031 0.000 1.210 166 Y HN 0.053 nan 8.280 nan 0.000 0.483 167 G N 1.887 110.856 108.800 0.281 0.000 2.539 167 G HA2 0.093 4.053 3.960 -0.000 0.000 0.258 167 G HA3 0.093 4.053 3.960 -0.000 0.000 0.258 167 G C 0.094 175.069 174.900 0.126 0.000 1.202 167 G CA -0.599 44.648 45.100 0.244 0.000 0.851 167 G HN 0.871 nan 8.290 nan 0.000 0.556 168 F N 0.538 120.310 119.950 -0.296 0.000 2.085 168 F HA -0.207 4.320 4.527 0.000 0.000 0.299 168 F C 2.117 177.550 175.800 -0.612 0.000 1.096 168 F CA 2.396 59.818 58.000 -0.963 0.000 1.227 168 F CB 0.144 38.595 39.000 -0.916 0.000 0.983 168 F HN 0.413 nan 8.300 nan 0.000 0.482 169 D N -0.609 119.545 120.400 -0.409 0.000 2.312 169 D HA -0.130 4.510 4.640 -0.000 0.000 0.211 169 D C 1.032 177.146 176.300 -0.310 0.000 0.964 169 D CA 1.124 54.886 54.000 -0.398 0.000 0.877 169 D CB -0.339 40.296 40.800 -0.274 0.000 0.924 169 D HN 0.373 nan 8.370 nan 0.000 0.515 170 D N -0.003 120.262 120.400 -0.226 0.000 2.491 170 D HA 0.009 4.649 4.640 -0.000 0.000 0.228 170 D C 1.714 177.897 176.300 -0.196 0.000 1.183 170 D CA -0.132 53.788 54.000 -0.133 0.000 0.827 170 D CB 0.078 40.873 40.800 -0.009 0.000 0.989 170 D HN 0.201 nan 8.370 nan 0.000 0.494 171 R N -0.787 119.426 120.500 -0.478 0.000 2.240 171 R HA -0.020 4.320 4.340 -0.000 0.000 0.203 171 R C 1.064 177.114 176.300 -0.417 0.000 1.011 171 R CA 0.505 56.305 56.100 -0.500 0.000 1.007 171 R CB -0.454 29.445 30.300 -0.669 0.000 0.911 171 R HN 0.266 nan 8.270 nan 0.000 0.468 172 H N 1.528 120.450 119.070 -0.247 0.000 2.321 172 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 172 H C 2.331 177.812 175.328 0.255 0.000 1.087 172 H CA 2.030 58.092 56.048 0.023 0.000 1.319 172 H CB -0.082 29.631 29.762 -0.083 0.000 1.379 172 H HN 0.284 nan 8.280 nan 0.000 0.501 173 V N -0.354 119.527 119.914 -0.055 0.000 2.913 173 V HA -0.148 3.972 4.120 -0.000 0.000 0.260 173 V C 0.934 176.851 176.094 -0.296 0.000 1.098 173 V CA 1.599 63.716 62.300 -0.306 0.000 1.121 173 V CB -0.882 30.530 31.823 -0.686 0.000 0.714 173 V HN 0.324 nan 8.190 nan 0.000 0.487 174 H N 0.811 119.840 119.070 -0.067 0.000 2.505 174 H HA 0.732 5.288 4.556 -0.000 0.000 0.289 174 H C 1.075 176.486 175.328 0.137 0.000 1.052 174 H CA 0.300 56.309 56.048 -0.065 0.000 1.156 174 H CB 0.030 29.513 29.762 -0.464 0.000 1.507 174 H HN 0.599 nan 8.280 nan 0.000 0.548 175 A N 1.278 124.331 122.820 0.388 0.000 2.425 175 A HA 0.482 4.802 4.320 -0.000 0.000 0.249 175 A C 0.290 178.050 177.584 0.293 0.000 1.084 175 A CA -0.101 52.222 52.037 0.476 0.000 0.781 175 A CB 0.233 19.649 19.000 0.695 0.000 1.019 175 A HN 0.451 nan 8.150 nan 0.000 0.490 176 R N 1.473 122.082 120.500 0.182 0.000 2.673 176 R HA 0.566 4.906 4.340 -0.000 0.000 0.281 176 R C -1.214 175.076 176.300 -0.016 0.000 0.991 176 R CA -0.506 55.622 56.100 0.047 0.000 0.896 176 R CB 1.235 31.480 30.300 -0.091 0.000 1.201 176 R HN 0.704 nan 8.270 nan 0.000 0.457 177 I N 2.968 123.450 120.570 -0.148 0.000 2.471 177 I HA 0.329 4.499 4.170 -0.000 0.000 0.286 177 I C 0.835 176.856 176.117 -0.161 0.000 1.079 177 I CA 0.461 61.615 61.300 -0.243 0.000 1.398 177 I CB 1.265 38.986 38.000 -0.465 0.000 1.403 177 I HN 0.724 nan 8.210 nan 0.000 0.530 178 G N 5.831 114.603 108.800 -0.047 0.000 2.685 178 G HA2 0.756 4.716 3.960 -0.000 0.000 0.298 178 G HA3 0.756 4.716 3.960 -0.000 0.000 0.298 178 G C -1.313 173.653 174.900 0.111 0.000 1.277 178 G CA -0.564 44.593 45.100 0.095 0.000 0.986 178 G HN 0.554 nan 8.290 nan 0.000 0.487 179 F N -1.495 118.374 119.950 -0.134 0.000 2.588 179 F HA 0.856 5.383 4.527 -0.000 0.000 0.314 179 F C -1.581 174.078 175.800 -0.235 0.000 1.069 179 F CA -1.648 56.268 58.000 -0.140 0.000 0.931 179 F CB 1.728 40.702 39.000 -0.043 0.000 1.260 179 F HN 0.327 nan 8.300 nan 0.000 0.465 180 F N 1.365 121.267 119.950 -0.079 0.000 2.594 180 F HA 0.725 5.252 4.527 -0.000 0.000 0.335 180 F C -0.673 175.298 175.800 0.284 0.000 1.058 180 F CA -1.027 56.933 58.000 -0.067 0.000 0.981 180 F CB 1.987 40.902 39.000 -0.141 0.000 1.289 180 F HN 0.662 nan 8.300 nan 0.000 0.490 181 Y N -0.918 119.726 120.300 0.574 0.000 2.670 181 Y HA 0.807 5.357 4.550 -0.000 0.000 0.334 181 Y C -1.169 175.072 175.900 0.568 0.000 1.185 181 Y CA -1.762 56.709 58.100 0.619 0.000 1.053 181 Y CB 1.506 40.126 38.460 0.267 0.000 1.298 181 Y HN 0.677 nan 8.280 nan 0.000 0.459 182 R N 1.468 122.360 120.500 0.654 0.000 2.690 182 R HA 0.525 4.865 4.340 -0.000 0.000 0.269 182 R C -1.760 174.862 176.300 0.537 0.000 1.037 182 R CA -0.968 55.347 56.100 0.358 0.000 0.877 182 R CB 1.833 31.903 30.300 -0.383 0.000 1.255 182 R HN 0.954 nan 8.270 nan 0.000 0.467 183 R N 0.895 121.590 120.500 0.325 0.000 2.734 183 R HA 0.411 4.751 4.340 -0.000 0.000 0.266 183 R C -0.480 175.817 176.300 -0.005 0.000 1.044 183 R CA 0.885 56.983 56.100 -0.003 0.000 1.128 183 R CB 0.631 30.846 30.300 -0.142 0.000 1.010 183 R HN 0.722 nan 8.270 nan 0.000 0.461 184 A N 1.563 124.345 122.820 -0.063 0.000 2.295 184 A HA 0.543 4.863 4.320 -0.000 0.000 0.318 184 A C 0.572 178.130 177.584 -0.044 0.000 1.134 184 A CA -0.066 51.967 52.037 -0.007 0.000 0.827 184 A CB 0.802 19.818 19.000 0.026 0.000 1.136 184 A HN 1.089 nan 8.150 nan 0.000 0.493 185 G N 0.162 108.952 108.800 -0.017 0.000 2.165 185 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.226 185 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.226 185 G C -0.280 174.603 174.900 -0.027 0.000 1.035 185 G CA 0.249 45.336 45.100 -0.022 0.000 0.744 185 G HN 0.836 nan 8.290 nan 0.000 0.501 186 I N 0.329 120.883 120.570 -0.028 0.000 2.509 186 I HA 0.372 4.542 4.170 -0.000 0.000 0.293 186 I C -1.986 174.119 176.117 -0.021 0.000 1.020 186 I CA -2.615 58.667 61.300 -0.030 0.000 1.088 186 I CB 2.061 40.035 38.000 -0.043 0.000 1.267 186 I HN -0.141 nan 8.210 nan 0.000 0.430 187 P HA 0.073 nan 4.420 nan 0.000 0.268 187 P C 0.455 177.745 177.300 -0.017 0.000 1.208 187 P CA -0.086 63.007 63.100 -0.012 0.000 0.777 187 P CB 0.826 32.516 31.700 -0.017 0.000 0.875 188 A N 2.358 125.171 122.820 -0.012 0.000 1.865 188 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 188 A C 2.135 179.711 177.584 -0.014 0.000 1.191 188 A CA 2.289 54.321 52.037 -0.009 0.000 0.623 188 A CB -1.803 17.195 19.000 -0.004 0.000 0.826 188 A HN 0.633 nan 8.150 nan 0.000 0.444 189 S N -0.719 114.964 115.700 -0.028 0.000 2.528 189 S HA -0.116 4.354 4.470 -0.000 0.000 0.244 189 S C 1.386 175.977 174.600 -0.014 0.000 0.982 189 S CA 1.261 59.447 58.200 -0.023 0.000 0.953 189 S CB -0.352 62.826 63.200 -0.037 0.000 0.754 189 S HN 0.576 nan 8.310 nan 0.000 0.529 190 R N 0.538 121.028 120.500 -0.016 0.000 2.586 190 R HA 0.324 4.664 4.340 -0.000 0.000 0.336 190 R C -0.181 176.109 176.300 -0.017 0.000 1.060 190 R CA -0.201 55.890 56.100 -0.015 0.000 1.079 190 R CB 0.509 30.799 30.300 -0.018 0.000 1.317 190 R HN 0.446 nan 8.270 nan 0.000 0.568 191 R N 0.557 121.047 120.500 -0.016 0.000 2.873 191 R HA 0.438 4.778 4.340 -0.000 0.000 0.264 191 R C -2.602 173.696 176.300 -0.004 0.000 1.026 191 R CA -2.166 53.919 56.100 -0.025 0.000 1.002 191 R CB 0.205 30.470 30.300 -0.058 0.000 1.174 191 R HN -0.172 nan 8.270 nan 0.000 0.488 192 P HA -0.137 nan 4.420 nan 0.000 0.266 192 P C 0.958 178.283 177.300 0.042 0.000 1.186 192 P CA 0.074 63.183 63.100 0.016 0.000 0.767 192 P CB 0.514 32.221 31.700 0.012 0.000 0.820 193 V N 2.962 122.910 119.914 0.057 0.000 2.439 193 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 193 V C 1.581 177.753 176.094 0.129 0.000 1.074 193 V CA 2.501 64.864 62.300 0.105 0.000 1.076 193 V CB -0.954 30.912 31.823 0.072 0.000 0.664 193 V HN 0.734 nan 8.190 nan 0.000 0.461 194 N N -1.000 117.740 118.700 0.066 0.000 2.370 194 N HA 0.166 4.906 4.740 -0.000 0.000 0.198 194 N C 1.316 176.924 175.510 0.164 0.000 1.156 194 N CA 0.929 54.025 53.050 0.076 0.000 0.839 194 N CB 0.803 39.310 38.487 0.033 0.000 0.989 194 N HN 0.658 nan 8.380 nan 0.000 0.468 195 G N 0.246 109.120 108.800 0.125 0.000 2.234 195 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.235 195 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.235 195 G C 0.783 175.540 174.900 -0.239 0.000 0.997 195 G CA 0.028 45.146 45.100 0.031 0.000 0.623 195 G HN 1.078 nan 8.290 nan 0.000 0.514 196 G N -0.755 107.996 108.800 -0.080 0.000 2.249 196 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.273 196 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.273 196 G C 0.260 175.101 174.900 -0.099 0.000 1.036 196 G CA 0.637 45.687 45.100 -0.082 0.000 0.824 196 G HN 1.177 nan 8.290 nan 0.000 0.504 197 W N 0.887 122.211 121.300 0.041 0.000 2.345 197 W HA 0.515 5.175 4.660 0.000 0.000 0.308 197 W C 1.173 177.743 176.519 0.086 0.000 1.273 197 W CA -0.005 57.373 57.345 0.055 0.000 1.243 197 W CB 0.956 30.381 29.460 -0.058 0.000 1.260 197 W HN 0.348 nan 8.180 nan 0.000 0.509 198 T N 1.560 116.216 114.554 0.170 0.000 2.806 198 T HA 0.243 4.593 4.350 -0.000 0.000 0.290 198 T C -0.622 173.964 174.700 -0.190 0.000 0.966 198 T CA -0.613 61.456 62.100 -0.052 0.000 1.060 198 T CB 0.544 69.259 68.868 -0.255 0.000 0.927 198 T HN 0.392 nan 8.240 nan 0.000 0.485 199 Y N 2.355 122.493 120.300 -0.271 0.000 2.526 199 Y HA 0.393 4.943 4.550 -0.000 0.000 0.330 199 Y C 1.303 176.756 175.900 -0.744 0.000 1.156 199 Y CA -0.398 57.229 58.100 -0.789 0.000 1.419 199 Y CB 0.534 38.648 38.460 -0.578 0.000 1.250 199 Y HN 0.931 nan 8.280 nan 0.000 0.540 200 G N 3.149 111.169 108.800 -1.300 0.000 3.020 200 G HA2 0.415 4.375 3.960 -0.000 0.000 0.217 200 G HA3 0.415 4.375 3.960 -0.000 0.000 0.217 200 G C 0.463 174.652 174.900 -1.186 0.000 1.144 200 G CA 0.355 44.698 45.100 -1.262 0.000 0.760 200 G HN 1.268 nan 8.290 nan 0.000 0.548 201 G N -0.122 107.576 108.800 -1.838 0.000 2.582 201 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.222 201 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.222 201 G C -0.563 174.016 174.900 -0.536 0.000 1.311 201 G CA -0.744 43.600 45.100 -1.260 0.000 0.915 201 G HN 0.407 nan 8.290 nan 0.000 0.528 202 H N -0.228 118.793 119.070 -0.081 0.000 2.790 202 H HA 0.291 4.847 4.556 0.000 0.000 0.358 202 H C 1.510 176.888 175.328 0.084 0.000 1.103 202 H CA 0.321 56.377 56.048 0.014 0.000 1.426 202 H CB 1.333 31.113 29.762 0.031 0.000 1.424 202 H HN 0.480 nan 8.280 nan 0.000 0.599 203 L N 2.505 123.722 121.223 -0.009 0.000 2.072 203 L HA 0.077 4.417 4.340 -0.000 0.000 0.205 203 L C 0.314 177.169 176.870 -0.026 0.000 1.079 203 L CA 1.406 56.103 54.840 -0.239 0.000 0.752 203 L CB -0.164 41.393 42.059 -0.836 0.000 0.906 203 L HN 0.391 nan 8.230 nan 0.000 0.436 204 F N 0.729 120.709 119.950 0.050 0.000 2.399 204 F HA 0.434 4.961 4.527 -0.000 0.000 0.328 204 F C -1.662 174.253 175.800 0.193 0.000 1.084 204 F CA -2.695 55.394 58.000 0.148 0.000 1.053 204 F CB 0.073 39.132 39.000 0.099 0.000 1.209 204 F HN -0.076 nan 8.300 nan 0.000 0.502 205 P HA 0.026 nan 4.420 nan 0.000 0.268 205 P C -0.414 177.022 177.300 0.228 0.000 1.205 205 P CA -0.177 63.092 63.100 0.280 0.000 0.771 205 P CB 0.801 32.644 31.700 0.238 0.000 0.858 206 D N 1.157 121.658 120.400 0.169 0.000 2.347 206 D HA -0.017 4.623 4.640 -0.000 0.000 0.215 206 D C 1.674 178.026 176.300 0.087 0.000 0.976 206 D CA 0.640 54.709 54.000 0.115 0.000 0.884 206 D CB -0.886 39.976 40.800 0.102 0.000 0.915 206 D HN 0.514 nan 8.370 nan 0.000 0.526 207 G N -0.361 108.493 108.800 0.089 0.000 3.189 207 G HA2 0.327 4.287 3.960 -0.000 0.000 0.225 207 G HA3 0.327 4.287 3.960 -0.000 0.000 0.225 207 G C 1.287 176.201 174.900 0.024 0.000 1.159 207 G CA 0.299 45.438 45.100 0.066 0.000 0.763 207 G HN 0.388 nan 8.290 nan 0.000 0.549 208 A N 1.131 123.946 122.820 -0.007 0.000 1.887 208 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 208 A C 2.629 179.863 177.584 -0.582 0.000 1.198 208 A CA 1.807 53.775 52.037 -0.116 0.000 0.628 208 A CB -0.531 18.536 19.000 0.111 0.000 0.847 208 A HN 0.598 nan 8.150 nan 0.000 0.449 209 S N 0.230 115.537 115.700 -0.655 0.000 2.423 209 S HA 0.118 4.588 4.470 -0.000 0.000 0.231 209 S C 1.939 176.431 174.600 -0.179 0.000 1.014 209 S CA 1.131 58.959 58.200 -0.620 0.000 0.965 209 S CB -0.422 62.697 63.200 -0.136 0.000 0.785 209 S HN 0.807 nan 8.310 nan 0.000 0.495 210 A N 1.147 123.920 122.820 -0.078 0.000 2.066 210 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 210 A C 2.228 179.846 177.584 0.058 0.000 1.157 210 A CA 1.156 53.220 52.037 0.044 0.000 0.670 210 A CB -0.720 18.340 19.000 0.100 0.000 0.804 210 A HN 0.600 nan 8.150 nan 0.000 0.453 211 Q N -0.450 119.338 119.800 -0.021 0.000 2.045 211 Q HA -0.188 4.152 4.340 -0.000 0.000 0.206 211 Q C 2.026 178.000 176.000 -0.045 0.000 0.991 211 Q CA 2.190 57.988 55.803 -0.007 0.000 0.851 211 Q CB -0.544 28.184 28.738 -0.017 0.000 0.911 211 Q HN 0.446 nan 8.270 nan 0.000 0.418 212 V N -0.186 119.650 119.914 -0.131 0.000 2.311 212 V HA -0.305 3.815 4.120 -0.000 0.000 0.256 212 V C 1.304 177.112 176.094 -0.476 0.000 1.077 212 V CA 2.037 64.144 62.300 -0.322 0.000 1.067 212 V CB -0.608 30.958 31.823 -0.429 0.000 0.659 212 V HN 0.451 nan 8.190 nan 0.000 0.451 213 Y N -0.847 119.428 120.300 -0.042 0.000 2.493 213 Y HA 0.498 5.048 4.550 -0.000 0.000 0.275 213 Y C 1.986 177.971 175.900 0.140 0.000 1.183 213 Y CA 0.214 58.322 58.100 0.014 0.000 1.258 213 Y CB -0.494 37.895 38.460 -0.119 0.000 1.108 213 Y HN 0.142 nan 8.280 nan 0.000 0.521 214 A N 0.617 123.537 122.820 0.165 0.000 1.940 214 A HA -0.276 4.044 4.320 -0.000 0.000 0.221 214 A C 2.560 180.219 177.584 0.126 0.000 1.190 214 A CA 2.206 54.330 52.037 0.145 0.000 0.647 214 A CB -1.307 17.734 19.000 0.068 0.000 0.821 214 A HN 0.544 nan 8.150 nan 0.000 0.457 215 G N -0.835 108.025 108.800 0.099 0.000 2.432 215 G HA2 0.024 3.984 3.960 -0.000 0.000 0.219 215 G HA3 0.024 3.984 3.960 -0.000 0.000 0.219 215 G C 0.929 175.879 174.900 0.082 0.000 1.135 215 G CA 1.016 46.159 45.100 0.071 0.000 0.767 215 G HN 0.808 nan 8.290 nan 0.000 0.550 216 Q N -1.000 118.892 119.800 0.154 0.000 2.712 216 Q HA 0.564 4.904 4.340 -0.000 0.000 0.267 216 Q C -1.337 174.712 176.000 0.082 0.000 1.062 216 Q CA -0.788 55.099 55.803 0.140 0.000 0.888 216 Q CB 0.828 29.682 28.738 0.194 0.000 1.374 216 Q HN -0.048 nan 8.270 nan 0.000 0.498 217 T N 1.709 116.299 114.554 0.059 0.000 2.744 217 T HA 0.540 4.890 4.350 -0.000 0.000 0.291 217 T C -1.144 173.579 174.700 0.038 0.000 0.957 217 T CA -0.437 61.635 62.100 -0.047 0.000 1.002 217 T CB -0.179 68.680 68.868 -0.016 0.000 0.919 217 T HN 0.527 nan 8.240 nan 0.000 0.468 218 Y N -1.180 119.110 120.300 -0.018 0.000 2.604 218 Y HA 0.513 5.063 4.550 -0.000 0.000 0.331 218 Y C 0.806 176.702 175.900 -0.007 0.000 1.158 218 Y CA -1.228 56.850 58.100 -0.037 0.000 1.056 218 Y CB 0.495 38.886 38.460 -0.114 0.000 1.330 218 Y HN 0.461 nan 8.280 nan 0.000 0.457 219 T N -2.312 112.361 114.554 0.198 0.000 3.044 219 T HA 0.309 4.659 4.350 -0.000 0.000 0.255 219 T C -0.016 174.811 174.700 0.211 0.000 1.073 219 T CA 0.409 62.592 62.100 0.138 0.000 1.125 219 T CB -0.139 68.785 68.868 0.093 0.000 0.908 219 T HN 0.646 nan 8.240 nan 0.000 0.480 220 N N 1.127 120.001 118.700 0.290 0.000 2.308 220 N HA 0.253 4.993 4.740 -0.000 0.000 0.283 220 N C -1.943 173.606 175.510 0.066 0.000 1.105 220 N CA -0.537 52.628 53.050 0.191 0.000 0.840 220 N CB 2.535 41.045 38.487 0.039 0.000 1.633 220 N HN 0.148 nan 8.380 nan 0.000 0.476 221 Q N 1.591 121.354 119.800 -0.062 0.000 2.337 221 Q HA 0.749 5.089 4.340 -0.000 0.000 0.270 221 Q C -1.868 174.086 176.000 -0.077 0.000 1.043 221 Q CA -0.570 55.054 55.803 -0.298 0.000 0.794 221 Q CB 2.384 30.819 28.738 -0.504 0.000 1.281 221 Q HN 0.783 nan 8.270 nan 0.000 0.446 222 A N 3.414 126.188 122.820 -0.077 0.000 2.566 222 A HA 0.668 4.988 4.320 -0.000 0.000 0.292 222 A C -1.430 176.209 177.584 0.091 0.000 1.112 222 A CA -0.699 51.373 52.037 0.059 0.000 0.707 222 A CB 1.493 20.599 19.000 0.176 0.000 1.302 222 A HN 0.761 nan 8.150 nan 0.000 0.409 223 E N 0.713 121.068 120.200 0.258 0.000 2.113 223 E HA 0.408 4.758 4.350 -0.000 0.000 0.273 223 E C -1.491 175.466 176.600 0.595 0.000 0.924 223 E CA -0.260 56.365 56.400 0.375 0.000 0.764 223 E CB 1.272 31.076 29.700 0.172 0.000 1.104 223 E HN 0.550 nan 8.360 nan 0.000 0.406 224 W N 1.125 122.629 121.300 0.340 0.000 2.703 224 W HA 0.316 4.976 4.660 -0.000 0.000 0.359 224 W C 0.603 177.280 176.519 0.262 0.000 1.168 224 W CA -1.316 56.190 57.345 0.269 0.000 1.177 224 W CB 0.775 30.386 29.460 0.252 0.000 1.434 224 W HN 0.402 nan 8.180 nan 0.000 0.618 225 S N 0.149 116.074 115.700 0.375 0.000 2.608 225 S HA 0.836 5.306 4.470 -0.000 0.000 0.261 225 S C 0.135 174.604 174.600 -0.217 0.000 1.314 225 S CA 0.417 58.653 58.200 0.060 0.000 0.992 225 S CB 1.487 64.735 63.200 0.080 0.000 0.935 225 S HN 0.861 nan 8.310 nan 0.000 0.564 226 G N 0.028 108.289 108.800 -0.899 0.000 2.725 226 G HA2 0.541 4.501 3.960 -0.000 0.000 0.098 226 G HA3 0.541 4.501 3.960 -0.000 0.000 0.098 226 G C -0.929 173.298 174.900 -1.122 0.000 1.188 226 G CA -0.044 44.670 45.100 -0.643 0.000 1.237 226 G HN 1.726 nan 8.290 nan 0.000 0.596 227 S N -1.190 114.073 115.700 -0.728 0.000 2.596 227 S HA 0.764 5.234 4.470 -0.000 0.000 0.270 227 S C -1.234 173.303 174.600 -0.104 0.000 1.155 227 S CA -0.392 57.473 58.200 -0.557 0.000 0.827 227 S CB 1.771 64.890 63.200 -0.134 0.000 1.130 227 S HN 1.146 nan 8.310 nan 0.000 0.467 228 S N 0.801 116.571 115.700 0.117 0.000 2.707 228 S HA 0.571 5.041 4.470 -0.000 0.000 0.312 228 S C -0.552 174.121 174.600 0.121 0.000 1.116 228 S CA -0.754 57.453 58.200 0.012 0.000 1.078 228 S CB 1.010 64.008 63.200 -0.337 0.000 0.997 228 S HN 0.744 nan 8.310 nan 0.000 0.477 229 R N 3.140 123.685 120.500 0.074 0.000 2.294 229 R HA 0.460 4.800 4.340 -0.000 0.000 0.319 229 R C -0.885 175.442 176.300 0.045 0.000 0.984 229 R CA -0.615 55.553 56.100 0.113 0.000 0.861 229 R CB 0.568 30.994 30.300 0.211 0.000 1.104 229 R HN 0.644 nan 8.270 nan 0.000 0.451 230 L N 6.741 127.972 121.223 0.013 0.000 2.283 230 L HA 0.128 4.468 4.340 -0.000 0.000 0.287 230 L C 0.553 177.356 176.870 -0.111 0.000 1.073 230 L CA -0.426 54.371 54.840 -0.072 0.000 0.822 230 L CB 1.038 42.994 42.059 -0.172 0.000 1.186 230 L HN 0.934 nan 8.230 nan 0.000 0.436 231 M N 2.985 122.537 119.600 -0.080 0.000 2.193 231 M HA -0.036 4.444 4.480 -0.000 0.000 0.265 231 M C 0.525 176.765 176.300 -0.100 0.000 1.071 231 M CA 1.187 56.448 55.300 -0.065 0.000 1.140 231 M CB -0.388 32.183 32.600 -0.047 0.000 1.369 231 M HN 0.587 nan 8.290 nan 0.000 0.423 232 Q N 1.060 120.791 119.800 -0.116 0.000 2.363 232 Q HA 0.391 4.731 4.340 -0.000 0.000 0.265 232 Q C 0.559 176.463 176.000 -0.161 0.000 1.032 232 Q CA -0.213 55.513 55.803 -0.128 0.000 0.746 232 Q CB 0.906 29.599 28.738 -0.075 0.000 1.237 232 Q HN 0.497 nan 8.270 nan 0.000 0.475 233 I N -1.183 119.218 120.570 -0.281 0.000 3.176 233 I HA -0.080 4.090 4.170 -0.000 0.000 0.275 233 I C 0.299 176.376 176.117 -0.067 0.000 1.298 233 I CA 0.790 61.890 61.300 -0.334 0.000 1.445 233 I CB -0.170 37.532 38.000 -0.497 0.000 1.075 233 I HN 0.607 nan 8.210 nan 0.000 0.482 234 H N 0.900 119.978 119.070 0.014 0.000 2.469 234 H HA 0.555 5.111 4.556 0.000 0.000 0.286 234 H C 0.764 176.127 175.328 0.057 0.000 1.106 234 H CA -0.336 55.742 56.048 0.050 0.000 1.055 234 H CB 0.497 30.280 29.762 0.036 0.000 1.618 234 H HN 0.498 nan 8.280 nan 0.000 0.559 235 G N 0.450 109.336 108.800 0.144 0.000 2.975 235 G HA2 0.051 4.011 3.960 -0.000 0.000 0.291 235 G HA3 0.051 4.011 3.960 -0.000 0.000 0.291 235 G C -0.151 174.796 174.900 0.078 0.000 1.334 235 G CA -0.796 44.364 45.100 0.101 0.000 0.843 235 G HN 0.296 nan 8.290 nan 0.000 0.548 236 N N -1.223 117.447 118.700 -0.051 0.000 2.204 236 N HA 0.144 4.884 4.740 -0.000 0.000 0.219 236 N C -0.091 175.245 175.510 -0.289 0.000 1.151 236 N CA -0.167 52.716 53.050 -0.279 0.000 0.867 236 N CB 0.668 38.941 38.487 -0.356 0.000 1.043 236 N HN 0.215 nan 8.380 nan 0.000 0.516 237 T N 0.869 115.322 114.554 -0.168 0.000 2.743 237 T HA 0.415 4.765 4.350 -0.000 0.000 0.293 237 T C -0.371 174.268 174.700 -0.101 0.000 0.945 237 T CA -0.369 61.648 62.100 -0.139 0.000 1.030 237 T CB 1.527 70.335 68.868 -0.101 0.000 0.912 237 T HN -0.076 nan 8.240 nan 0.000 0.483 238 V N 3.059 122.934 119.914 -0.065 0.000 2.448 238 V HA 0.509 4.629 4.120 -0.000 0.000 0.295 238 V C 0.184 176.275 176.094 -0.004 0.000 1.025 238 V CA -0.855 61.449 62.300 0.007 0.000 0.859 238 V CB 1.970 33.878 31.823 0.141 0.000 0.988 238 V HN 0.861 nan 8.190 nan 0.000 0.431 239 S N 4.398 120.043 115.700 -0.093 0.000 2.423 239 S HA 0.508 4.978 4.470 -0.000 0.000 0.317 239 S C -0.497 173.833 174.600 -0.450 0.000 1.065 239 S CA -0.464 57.569 58.200 -0.279 0.000 1.111 239 S CB 0.605 63.603 63.200 -0.338 0.000 0.968 239 S HN 0.495 nan 8.310 nan 0.000 0.474 240 V N 6.729 126.412 119.914 -0.384 0.000 2.432 240 V HA 0.424 4.544 4.120 -0.000 0.000 0.271 240 V C -0.597 175.246 176.094 -0.419 0.000 1.046 240 V CA -0.380 61.704 62.300 -0.360 0.000 0.945 240 V CB 0.075 31.705 31.823 -0.323 0.000 0.992 240 V HN 0.760 nan 8.190 nan 0.000 0.471 241 F N 6.234 126.172 119.950 -0.018 0.000 2.427 241 F HA 0.707 5.234 4.527 -0.000 0.000 0.346 241 F C -0.010 175.790 175.800 0.001 0.000 1.120 241 F CA -0.642 57.323 58.000 -0.060 0.000 1.033 241 F CB 1.116 40.008 39.000 -0.180 0.000 1.126 241 F HN 0.607 nan 8.300 nan 0.000 0.462 242 Y N -1.233 119.097 120.300 0.051 0.000 2.728 242 Y HA 0.759 5.309 4.550 -0.000 0.000 0.330 242 Y C -1.140 174.799 175.900 0.066 0.000 1.234 242 Y CA -1.477 56.652 58.100 0.048 0.000 1.070 242 Y CB 1.070 39.635 38.460 0.175 0.000 1.300 242 Y HN 0.284 nan 8.280 nan 0.000 0.467 243 T N 2.239 116.867 114.554 0.122 0.000 2.753 243 T HA 0.193 4.543 4.350 -0.000 0.000 0.297 243 T C -1.321 173.420 174.700 0.068 0.000 0.981 243 T CA -0.359 61.762 62.100 0.034 0.000 0.956 243 T CB 0.365 69.364 68.868 0.219 0.000 0.936 243 T HN 0.556 nan 8.240 nan 0.000 0.463 244 D N 3.636 123.939 120.400 -0.162 0.000 2.347 244 D HA 0.356 4.996 4.640 -0.000 0.000 0.235 244 D C -0.111 176.210 176.300 0.034 0.000 1.149 244 D CA -0.429 53.603 54.000 0.052 0.000 0.850 244 D CB 0.726 41.517 40.800 -0.015 0.000 1.061 244 D HN 0.378 nan 8.370 nan 0.000 0.487 245 V N 0.961 120.761 119.914 -0.191 0.000 2.715 245 V HA 0.982 5.102 4.120 -0.000 0.000 0.310 245 V C -0.473 175.141 176.094 -0.799 0.000 1.054 245 V CA -1.111 60.848 62.300 -0.569 0.000 0.928 245 V CB 1.448 32.656 31.823 -1.025 0.000 1.007 245 V HN 0.600 nan 8.190 nan 0.000 0.437 246 A N 3.588 125.747 122.820 -1.102 0.000 2.381 246 A HA 0.908 5.228 4.320 -0.000 0.000 0.299 246 A C -1.276 175.755 177.584 -0.921 0.000 1.049 246 A CA -0.420 50.960 52.037 -1.095 0.000 0.715 246 A CB 1.085 19.121 19.000 -1.607 0.000 1.222 246 A HN 0.795 nan 8.150 nan 0.000 0.428 247 F N 1.249 121.031 119.950 -0.281 0.000 2.522 247 F HA 0.505 5.032 4.527 -0.000 0.000 0.324 247 F C 0.698 176.486 175.800 -0.021 0.000 1.077 247 F CA -0.504 57.420 58.000 -0.126 0.000 0.944 247 F CB 2.222 41.158 39.000 -0.108 0.000 1.175 247 F HN 0.646 nan 8.300 nan 0.000 0.468 248 N N 2.854 121.657 118.700 0.172 0.000 2.746 248 N HA 0.361 5.101 4.740 -0.000 0.000 0.250 248 N C -1.228 174.345 175.510 0.105 0.000 1.146 248 N CA -0.445 52.677 53.050 0.121 0.000 0.828 248 N CB 0.498 39.029 38.487 0.074 0.000 1.158 248 N HN 0.674 nan 8.380 nan 0.000 0.519 249 R N 1.053 121.614 120.500 0.102 0.000 2.664 249 R HA 0.251 4.591 4.340 -0.000 0.000 0.286 249 R C -0.079 176.251 176.300 0.050 0.000 0.967 249 R CA -0.757 55.388 56.100 0.075 0.000 0.933 249 R CB 1.318 31.652 30.300 0.056 0.000 1.146 249 R HN 0.537 nan 8.270 nan 0.000 0.468 250 D N 1.512 121.937 120.400 0.041 0.000 2.469 250 D HA 0.092 4.732 4.640 -0.000 0.000 0.278 250 D C 0.748 177.066 176.300 0.029 0.000 1.231 250 D CA -0.429 53.590 54.000 0.032 0.000 1.075 250 D CB 0.171 40.988 40.800 0.029 0.000 1.121 250 D HN 0.410 nan 8.370 nan 0.000 0.571 251 A N -0.732 122.104 122.820 0.025 0.000 2.067 251 A HA -0.135 4.184 4.320 -0.000 0.000 0.219 251 A C 1.199 178.796 177.584 0.021 0.000 1.158 251 A CA 0.833 52.885 52.037 0.024 0.000 0.661 251 A CB -0.630 18.383 19.000 0.021 0.000 0.801 251 A HN 0.529 nan 8.150 nan 0.000 0.452 252 N N -0.825 117.887 118.700 0.021 0.000 2.273 252 N HA 0.343 5.083 4.740 -0.000 0.000 0.231 252 N C 0.709 176.229 175.510 0.017 0.000 1.134 252 N CA 0.750 53.811 53.050 0.017 0.000 0.856 252 N CB 0.588 39.086 38.487 0.019 0.000 1.068 252 N HN 0.572 nan 8.380 nan 0.000 0.510 253 A N -0.133 122.697 122.820 0.017 0.000 3.153 253 A HA -0.241 4.079 4.320 -0.000 0.000 0.265 253 A C 0.179 177.785 177.584 0.036 0.000 1.212 253 A CA 0.730 52.774 52.037 0.011 0.000 1.018 253 A CB -1.969 17.024 19.000 -0.012 0.000 1.130 253 A HN 0.397 nan 8.150 nan 0.000 0.873 254 N N 0.654 119.383 118.700 0.049 0.000 2.503 254 N HA 0.290 5.030 4.740 -0.000 0.000 0.267 254 N C -0.076 175.474 175.510 0.067 0.000 1.214 254 N CA -0.083 53.009 53.050 0.070 0.000 0.959 254 N CB 0.098 38.622 38.487 0.060 0.000 1.142 254 N HN 0.636 nan 8.380 nan 0.000 0.455 255 N N 0.365 119.106 118.700 0.067 0.000 2.520 255 N HA 0.190 4.930 4.740 -0.000 0.000 0.273 255 N C 1.021 176.549 175.510 0.030 0.000 1.155 255 N CA -0.279 52.804 53.050 0.055 0.000 0.967 255 N CB 1.335 39.843 38.487 0.036 0.000 1.092 255 N HN 0.465 nan 8.380 nan 0.000 0.457 256 I N 0.014 120.604 120.570 0.033 0.000 2.628 256 I HA -0.042 4.128 4.170 -0.000 0.000 0.255 256 I C 0.918 177.041 176.117 0.010 0.000 1.119 256 I CA 0.722 62.035 61.300 0.021 0.000 1.448 256 I CB -0.070 37.944 38.000 0.024 0.000 1.133 256 I HN 0.577 nan 8.210 nan 0.000 0.438 257 T N -1.796 112.765 114.554 0.012 0.000 2.907 257 T HA 0.506 4.856 4.350 -0.000 0.000 0.290 257 T C -2.793 171.903 174.700 -0.005 0.000 1.066 257 T CA -2.154 59.945 62.100 -0.002 0.000 1.012 257 T CB 1.613 70.482 68.868 0.001 0.000 1.184 257 T HN -0.278 nan 8.240 nan 0.000 0.522 258 P HA 0.348 nan 4.420 nan 0.000 0.271 258 P C -2.503 174.798 177.300 0.001 0.000 1.218 258 P CA -1.073 62.024 63.100 -0.005 0.000 0.780 258 P CB -0.748 30.937 31.700 -0.025 0.000 0.901 259 P HA 0.027 nan 4.420 nan 0.000 0.269 259 P C -0.613 176.642 177.300 -0.075 0.000 1.211 259 P CA 0.388 63.376 63.100 -0.188 0.000 0.781 259 P CB 0.378 31.930 31.700 -0.247 0.000 0.877 260 Q N 0.243 119.878 119.800 -0.275 0.000 2.340 260 Q HA 0.702 5.042 4.340 -0.000 0.000 0.268 260 Q C -1.097 174.834 176.000 -0.114 0.000 1.031 260 Q CA -0.854 54.910 55.803 -0.064 0.000 0.804 260 Q CB 2.513 31.246 28.738 -0.008 0.000 1.286 260 Q HN 0.433 nan 8.270 nan 0.000 0.448 261 A N 3.669 126.564 122.820 0.125 0.000 2.343 261 A HA 0.741 5.061 4.320 -0.000 0.000 0.308 261 A C -0.889 176.814 177.584 0.198 0.000 1.092 261 A CA -0.529 51.573 52.037 0.108 0.000 0.751 261 A CB 0.726 19.833 19.000 0.178 0.000 1.203 261 A HN 0.735 nan 8.150 nan 0.000 0.452 262 I N 3.559 124.206 120.570 0.129 0.000 2.468 262 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 262 I C -0.544 175.557 176.117 -0.026 0.000 1.039 262 I CA -0.409 60.926 61.300 0.059 0.000 1.074 262 I CB 1.807 39.762 38.000 -0.076 0.000 1.228 262 I HN 0.559 nan 8.210 nan 0.000 0.436 263 I N 5.702 126.282 120.570 0.017 0.000 2.533 263 I HA 0.127 4.297 4.170 -0.000 0.000 0.284 263 I C 0.114 176.090 176.117 -0.236 0.000 1.109 263 I CA 0.767 61.957 61.300 -0.184 0.000 1.412 263 I CB 0.656 38.465 38.000 -0.318 0.000 1.396 263 I HN 0.546 nan 8.210 nan 0.000 0.543 264 T N 6.067 120.418 114.554 -0.338 0.000 2.893 264 T HA 0.252 4.602 4.350 -0.000 0.000 0.293 264 T C -0.706 173.878 174.700 -0.192 0.000 1.027 264 T CA -0.603 61.300 62.100 -0.329 0.000 0.988 264 T CB 2.083 70.598 68.868 -0.588 0.000 1.043 264 T HN 0.544 nan 8.240 nan 0.000 0.461 265 Q N 1.737 121.492 119.800 -0.074 0.000 2.256 265 Q HA 0.592 4.932 4.340 -0.000 0.000 0.257 265 Q C -1.243 174.657 176.000 -0.168 0.000 0.936 265 Q CA -0.584 55.142 55.803 -0.127 0.000 0.903 265 Q CB 0.976 29.689 28.738 -0.041 0.000 1.263 265 Q HN 0.729 nan 8.270 nan 0.000 0.440 266 T N 3.502 117.912 114.554 -0.240 0.000 2.841 266 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 266 T C -0.452 174.201 174.700 -0.078 0.000 0.991 266 T CA -0.696 61.223 62.100 -0.301 0.000 0.966 266 T CB 0.783 69.228 68.868 -0.704 0.000 0.962 266 T HN 0.443 nan 8.240 nan 0.000 0.438 267 L N 2.272 123.457 121.223 -0.063 0.000 2.375 267 L HA 0.845 5.185 4.340 -0.000 0.000 0.271 267 L C 0.947 177.714 176.870 -0.171 0.000 1.107 267 L CA 0.025 54.844 54.840 -0.035 0.000 0.806 267 L CB 0.864 42.861 42.059 -0.103 0.000 1.146 267 L HN 0.974 nan 8.230 nan 0.000 0.447 268 G N 1.247 109.814 108.800 -0.388 0.000 2.870 268 G HA2 0.677 4.637 3.960 -0.000 0.000 0.299 268 G HA3 0.677 4.637 3.960 -0.000 0.000 0.299 268 G C -1.409 173.207 174.900 -0.473 0.000 1.324 268 G CA -0.877 43.650 45.100 -0.954 0.000 0.808 268 G HN 0.375 nan 8.290 nan 0.000 0.535 269 R N -0.318 119.913 120.500 -0.449 0.000 2.534 269 R HA 0.451 4.791 4.340 -0.000 0.000 0.301 269 R C -0.738 175.215 176.300 -0.578 0.000 0.961 269 R CA -0.715 55.128 56.100 -0.428 0.000 0.871 269 R CB 2.706 32.763 30.300 -0.406 0.000 1.170 269 R HN 0.498 nan 8.270 nan 0.000 0.446 270 I N 3.109 123.266 120.570 -0.688 0.000 2.575 270 I HA 0.161 4.331 4.170 -0.000 0.000 0.285 270 I C -0.491 174.764 176.117 -1.438 0.000 1.085 270 I CA -0.047 60.578 61.300 -1.124 0.000 1.403 270 I CB 0.397 37.796 38.000 -1.002 0.000 1.409 270 I HN 0.556 nan 8.210 nan 0.000 0.557 271 H N 5.595 124.009 119.070 -1.093 0.000 2.851 271 H HA 0.797 5.353 4.556 -0.000 0.000 0.372 271 H C -1.115 173.678 175.328 -0.892 0.000 1.158 271 H CA -0.817 54.605 56.048 -1.043 0.000 1.159 271 H CB 1.929 30.546 29.762 -1.909 0.000 1.757 271 H HN 0.708 nan 8.280 nan 0.000 0.546 272 A N 1.688 124.307 122.820 -0.336 0.000 2.612 272 A HA 0.515 4.835 4.320 -0.000 0.000 0.293 272 A C -1.023 176.606 177.584 0.075 0.000 1.075 272 A CA -0.648 51.316 52.037 -0.122 0.000 0.680 272 A CB 1.979 21.119 19.000 0.232 0.000 1.279 272 A HN 0.741 nan 8.150 nan 0.000 0.411 273 D N -0.648 119.892 120.400 0.234 0.000 2.887 273 D HA 0.461 5.101 4.640 -0.000 0.000 0.221 273 D C 0.346 176.930 176.300 0.472 0.000 1.276 273 D CA -0.178 53.899 54.000 0.128 0.000 1.078 273 D CB -0.219 40.630 40.800 0.082 0.000 1.217 273 D HN 0.259 nan 8.370 nan 0.000 0.631 274 F N -0.359 119.887 119.950 0.493 0.000 2.512 274 F HA 0.227 4.754 4.527 -0.000 0.000 0.296 274 F C 1.819 177.995 175.800 0.627 0.000 1.110 274 F CA 0.377 58.662 58.000 0.476 0.000 1.446 274 F CB 0.107 39.289 39.000 0.303 0.000 1.092 274 F HN 0.156 nan 8.300 nan 0.000 0.554 275 N N -1.804 117.373 118.700 0.795 0.000 2.382 275 N HA 0.013 4.753 4.740 -0.000 0.000 0.200 275 N C -0.221 175.611 175.510 0.537 0.000 1.122 275 N CA 0.392 53.848 53.050 0.677 0.000 0.870 275 N CB 0.615 39.376 38.487 0.456 0.000 1.176 275 N HN 0.288 nan 8.380 nan 0.000 0.474 276 H N -1.232 117.883 119.070 0.075 0.000 3.094 276 H HA 0.351 4.907 4.556 -0.000 0.000 0.346 276 H C -1.535 173.430 175.328 -0.605 0.000 1.238 276 H CA -0.587 55.212 56.048 -0.415 0.000 1.209 276 H CB 0.730 30.480 29.762 -0.020 0.000 1.911 276 H HN -0.350 nan 8.280 nan 0.000 0.540 277 V N 2.449 121.524 119.914 -1.398 0.000 2.617 277 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 277 V C -0.294 175.678 176.094 -0.202 0.000 1.048 277 V CA -0.120 61.654 62.300 -0.877 0.000 0.964 277 V CB 0.958 32.228 31.823 -0.921 0.000 1.004 277 V HN 0.913 nan 8.190 nan 0.000 0.466 278 W N 3.477 124.486 121.300 -0.484 0.000 2.959 278 W HA 0.807 5.467 4.660 -0.000 0.000 0.358 278 W C -2.466 173.744 176.519 -0.514 0.000 1.228 278 W CA -1.343 55.858 57.345 -0.240 0.000 1.183 278 W CB 0.975 30.408 29.460 -0.046 0.000 1.467 278 W HN 0.335 nan 8.180 nan 0.000 0.578 279 F N 1.554 121.604 119.950 0.166 0.000 2.576 279 F HA 0.714 5.241 4.527 0.000 0.000 0.313 279 F C 0.444 176.356 175.800 0.186 0.000 1.078 279 F CA -0.616 57.407 58.000 0.037 0.000 0.921 279 F CB 2.743 41.788 39.000 0.075 0.000 1.232 279 F HN 0.529 nan 8.300 nan 0.000 0.459 280 T N -0.926 113.747 114.554 0.199 0.000 2.907 280 T HA 0.873 5.223 4.350 -0.000 0.000 0.290 280 T C 0.105 174.654 174.700 -0.252 0.000 1.066 280 T CA -0.313 61.840 62.100 0.088 0.000 1.012 280 T CB 1.516 70.474 68.868 0.150 0.000 1.184 280 T HN 1.432 nan 8.240 nan 0.000 0.522 281 G N 1.138 109.836 108.800 -0.170 0.000 2.498 281 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.245 281 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.245 281 G C 0.134 174.906 174.900 -0.214 0.000 1.204 281 G CA -0.025 44.905 45.100 -0.283 0.000 0.933 281 G HN 1.745 nan 8.290 nan 0.000 0.574 282 F N -0.228 119.677 119.950 -0.076 0.000 3.091 282 F HA -0.265 4.262 4.527 -0.000 0.000 0.288 282 F C 1.989 177.703 175.800 -0.143 0.000 0.907 282 F CA 1.557 59.418 58.000 -0.231 0.000 1.028 282 F CB -2.252 36.722 39.000 -0.044 0.000 1.022 282 F HN 1.007 nan 8.300 nan 0.000 0.665 283 T N -2.971 111.604 114.554 0.035 0.000 3.039 283 T HA 0.468 4.818 4.350 -0.000 0.000 0.250 283 T C 0.925 175.687 174.700 0.102 0.000 1.052 283 T CA 0.533 62.696 62.100 0.105 0.000 1.125 283 T CB 0.457 69.362 68.868 0.062 0.000 0.908 283 T HN 0.508 nan 8.240 nan 0.000 0.473 284 A N 2.532 125.339 122.820 -0.022 0.000 2.444 284 A HA 0.430 4.750 4.320 -0.000 0.000 0.332 284 A C -0.511 177.000 177.584 -0.122 0.000 1.430 284 A CA -0.669 51.352 52.037 -0.025 0.000 0.975 284 A CB -0.389 18.585 19.000 -0.043 0.000 1.147 284 A HN 0.547 nan 8.150 nan 0.000 0.524 285 H N 2.089 121.121 119.070 -0.064 0.000 2.705 285 H HA 0.224 4.780 4.556 -0.000 0.000 0.291 285 H C -0.396 174.883 175.328 -0.080 0.000 1.085 285 H CA 0.218 56.220 56.048 -0.077 0.000 1.357 285 H CB 0.995 30.715 29.762 -0.070 0.000 1.419 285 H HN 0.478 nan 8.280 nan 0.000 0.462 286 T N 6.632 121.176 114.554 -0.018 0.000 2.756 286 T HA 0.198 4.548 4.350 -0.000 0.000 0.290 286 T C -2.356 172.312 174.700 -0.053 0.000 0.985 286 T CA -1.578 60.504 62.100 -0.031 0.000 0.955 286 T CB 1.249 70.104 68.868 -0.022 0.000 0.930 286 T HN 0.353 nan 8.240 nan 0.000 0.451 287 P HA 0.123 nan 4.420 nan 0.000 0.263 287 P C 0.028 177.289 177.300 -0.065 0.000 1.195 287 P CA -0.210 62.826 63.100 -0.106 0.000 0.762 287 P CB 0.588 32.212 31.700 -0.127 0.000 0.799 288 L N 3.871 125.046 121.223 -0.080 0.000 2.347 288 L HA 0.320 4.660 4.340 -0.000 0.000 0.196 288 L C 0.692 177.485 176.870 -0.128 0.000 1.072 288 L CA 1.252 56.064 54.840 -0.047 0.000 0.817 288 L CB -0.614 41.376 42.059 -0.114 0.000 1.029 288 L HN 0.296 nan 8.230 nan 0.000 0.478 289 L N -0.488 120.631 121.223 -0.174 0.000 2.472 289 L HA 0.483 4.823 4.340 -0.000 0.000 0.260 289 L C -1.279 175.606 176.870 0.025 0.000 0.963 289 L CA -0.552 54.169 54.840 -0.197 0.000 0.829 289 L CB 2.316 44.149 42.059 -0.376 0.000 1.348 289 L HN 0.181 nan 8.230 nan 0.000 0.408 290 Q N 1.437 121.259 119.800 0.037 0.000 2.391 290 Q HA 0.574 4.914 4.340 -0.000 0.000 0.279 290 Q C -2.952 172.958 176.000 -0.150 0.000 1.028 290 Q CA -2.062 53.627 55.803 -0.189 0.000 0.836 290 Q CB 2.526 31.172 28.738 -0.154 0.000 1.414 290 Q HN 0.192 nan 8.270 nan 0.000 0.397 291 P HA -0.042 nan 4.420 nan 0.000 0.264 291 P C -0.382 176.845 177.300 -0.121 0.000 1.193 291 P CA 0.299 63.168 63.100 -0.386 0.000 0.763 291 P CB 0.643 32.032 31.700 -0.519 0.000 0.810 292 D N 1.752 122.152 120.400 -0.001 0.000 2.349 292 D HA 0.023 4.663 4.640 -0.000 0.000 0.215 292 D C 1.434 177.708 176.300 -0.043 0.000 1.016 292 D CA 0.628 54.651 54.000 0.038 0.000 0.870 292 D CB -0.699 40.192 40.800 0.152 0.000 0.917 292 D HN 0.599 nan 8.370 nan 0.000 0.524 293 G N -0.442 108.305 108.800 -0.088 0.000 2.168 293 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.263 293 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.263 293 G C 0.860 175.711 174.900 -0.081 0.000 0.977 293 G CA 0.646 45.692 45.100 -0.091 0.000 0.659 293 G HN 0.401 nan 8.290 nan 0.000 0.533 294 V N -0.985 118.875 119.914 -0.090 0.000 2.948 294 V HA 0.289 4.409 4.120 -0.000 0.000 0.234 294 V C 2.189 178.177 176.094 -0.176 0.000 1.205 294 V CA 1.192 63.434 62.300 -0.097 0.000 1.234 294 V CB 0.006 31.800 31.823 -0.048 0.000 1.020 294 V HN 0.171 nan 8.190 nan 0.000 0.491 295 L N -0.980 120.080 121.223 -0.272 0.000 2.298 295 L HA 0.294 4.634 4.340 -0.000 0.000 0.209 295 L C 0.020 176.313 176.870 -0.961 0.000 1.084 295 L CA 1.067 55.550 54.840 -0.595 0.000 0.816 295 L CB -0.550 41.124 42.059 -0.643 0.000 0.967 295 L HN 0.324 nan 8.230 nan 0.000 0.460 296 Y N -0.710 119.487 120.300 -0.172 0.000 2.373 296 Y HA 0.428 4.978 4.550 -0.000 0.000 0.336 296 Y C 0.439 176.309 175.900 -0.049 0.000 0.979 296 Y CA -1.098 56.967 58.100 -0.059 0.000 1.080 296 Y CB 1.188 39.653 38.460 0.008 0.000 1.190 296 Y HN -0.047 nan 8.280 nan 0.000 0.446 297 Q N 3.579 123.466 119.800 0.145 0.000 2.300 297 Q HA 0.063 4.403 4.340 -0.000 0.000 0.280 297 Q C -0.410 175.564 176.000 -0.043 0.000 1.033 297 Q CA -0.113 55.733 55.803 0.070 0.000 0.903 297 Q CB 0.519 29.350 28.738 0.155 0.000 1.195 297 Q HN 0.818 nan 8.270 nan 0.000 0.386 298 N N 2.476 121.015 118.700 -0.268 0.000 2.530 298 N HA 0.322 5.062 4.740 -0.000 0.000 0.283 298 N C 0.737 175.736 175.510 -0.852 0.000 1.238 298 N CA -0.169 52.476 53.050 -0.675 0.000 0.971 298 N CB 0.265 38.485 38.487 -0.446 0.000 1.195 298 N HN 0.468 nan 8.380 nan 0.000 0.583 299 G N -1.031 107.107 108.800 -1.102 0.000 2.408 299 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.217 299 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.217 299 G C 1.333 176.080 174.900 -0.254 0.000 1.150 299 G CA 1.079 45.786 45.100 -0.655 0.000 0.776 299 G HN 0.795 nan 8.290 nan 0.000 0.542 300 A N 0.621 123.301 122.820 -0.233 0.000 1.908 300 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 300 A C 2.332 179.860 177.584 -0.093 0.000 1.181 300 A CA 2.037 53.995 52.037 -0.132 0.000 0.627 300 A CB -0.408 18.521 19.000 -0.119 0.000 0.818 300 A HN 0.472 nan 8.150 nan 0.000 0.445 301 Q N -1.691 118.047 119.800 -0.104 0.000 2.137 301 Q HA -0.024 4.316 4.340 -0.000 0.000 0.198 301 Q C 0.076 176.085 176.000 0.015 0.000 0.960 301 Q CA 0.957 56.736 55.803 -0.041 0.000 0.847 301 Q CB 0.118 28.829 28.738 -0.045 0.000 0.915 301 Q HN 0.586 nan 8.270 nan 0.000 0.448 302 N N -0.263 118.451 118.700 0.022 0.000 2.572 302 N HA -0.014 4.726 4.740 -0.000 0.000 0.287 302 N C -0.309 175.278 175.510 0.128 0.000 1.136 302 N CA -0.112 53.010 53.050 0.120 0.000 0.900 302 N CB 1.285 39.917 38.487 0.242 0.000 1.484 302 N HN 0.173 nan 8.380 nan 0.000 0.526 303 E N 2.038 122.200 120.200 -0.064 0.000 2.204 303 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 303 E C 0.017 176.559 176.600 -0.096 0.000 0.990 303 E CA 1.196 57.510 56.400 -0.144 0.000 0.821 303 E CB -0.272 29.180 29.700 -0.412 0.000 0.750 303 E HN 0.450 nan 8.360 nan 0.000 0.477 304 F N 1.584 121.679 119.950 0.243 0.000 2.692 304 F HA 0.194 4.721 4.527 -0.000 0.000 0.303 304 F C 0.450 176.359 175.800 0.181 0.000 1.114 304 F CA -1.105 57.003 58.000 0.180 0.000 1.361 304 F CB -0.841 38.239 39.000 0.133 0.000 1.063 304 F HN -0.026 nan 8.300 nan 0.000 0.550 305 F N 0.662 120.744 119.950 0.221 0.000 2.629 305 F HA 0.164 4.691 4.527 0.000 0.000 0.369 305 F C -0.024 175.930 175.800 0.257 0.000 1.125 305 F CA -0.758 57.369 58.000 0.210 0.000 1.330 305 F CB 0.045 39.130 39.000 0.141 0.000 1.071 305 F HN -0.109 nan 8.300 nan 0.000 0.595 306 N N 3.621 122.366 118.700 0.076 0.000 2.430 306 N HA 0.576 5.316 4.740 -0.000 0.000 0.292 306 N C -1.738 173.931 175.510 0.265 0.000 1.051 306 N CA -0.548 52.536 53.050 0.056 0.000 0.917 306 N CB 1.400 39.984 38.487 0.163 0.000 1.164 306 N HN 0.700 nan 8.380 nan 0.000 0.484 307 F N 2.599 122.572 119.950 0.038 0.000 3.306 307 F HA 0.365 4.892 4.527 0.000 0.000 0.370 307 F C -1.171 174.726 175.800 0.161 0.000 1.251 307 F CA -0.398 57.723 58.000 0.201 0.000 1.276 307 F CB 0.554 39.775 39.000 0.368 0.000 1.682 307 F HN 0.611 nan 8.300 nan 0.000 0.697 308 R N 2.674 123.110 120.500 -0.106 0.000 2.789 308 R HA 0.513 4.853 4.340 -0.000 0.000 0.279 308 R C -1.749 174.536 176.300 -0.026 0.000 1.010 308 R CA -0.926 55.168 56.100 -0.011 0.000 0.855 308 R CB 0.691 31.136 30.300 0.242 0.000 1.312 308 R HN 0.192 nan 8.270 nan 0.000 0.479 309 D N 0.125 120.534 120.400 0.015 0.000 2.897 309 D HA -0.064 4.576 4.640 -0.000 0.000 0.250 309 D C -2.442 173.858 176.300 0.001 0.000 1.086 309 D CA 0.624 54.632 54.000 0.014 0.000 0.799 309 D CB -0.766 40.072 40.800 0.063 0.000 1.043 309 D HN 0.458 nan 8.370 nan 0.000 0.427 310 P HA 0.353 nan 4.420 nan 0.000 0.276 310 P C -0.548 176.761 177.300 0.015 0.000 1.230 310 P CA -0.312 62.733 63.100 -0.092 0.000 0.776 310 P CB 0.525 32.063 31.700 -0.269 0.000 0.888 311 F N 2.895 122.807 119.950 -0.063 0.000 2.539 311 F HA 0.483 5.010 4.527 -0.000 0.000 0.318 311 F C -0.386 175.462 175.800 0.081 0.000 1.135 311 F CA -0.156 57.869 58.000 0.042 0.000 0.915 311 F CB 1.780 40.862 39.000 0.138 0.000 1.176 311 F HN 0.357 nan 8.300 nan 0.000 0.440 312 T N 2.686 116.978 114.554 -0.435 0.000 2.950 312 T HA 0.883 5.233 4.350 -0.000 0.000 0.288 312 T C -0.959 173.683 174.700 -0.098 0.000 1.035 312 T CA -0.521 61.442 62.100 -0.227 0.000 1.028 312 T CB 2.098 70.735 68.868 -0.385 0.000 1.109 312 T HN 0.880 nan 8.240 nan 0.000 0.514 313 F N -2.226 117.725 119.950 0.001 0.000 2.799 313 F HA 0.683 5.210 4.527 -0.000 0.000 0.316 313 F C -1.178 174.759 175.800 0.228 0.000 1.155 313 F CA -1.249 56.822 58.000 0.119 0.000 0.916 313 F CB 1.095 40.245 39.000 0.251 0.000 1.294 313 F HN 0.832 nan 8.300 nan 0.000 0.447 314 E N 1.082 121.476 120.200 0.323 0.000 2.216 314 E HA 0.263 4.613 4.350 -0.000 0.000 0.279 314 E C -1.234 175.570 176.600 0.341 0.000 0.997 314 E CA -0.772 55.761 56.400 0.222 0.000 0.817 314 E CB 1.246 31.107 29.700 0.267 0.000 1.096 314 E HN 0.720 nan 8.360 nan 0.000 0.393 315 D N 5.662 126.251 120.400 0.314 0.000 2.451 315 D HA -0.018 4.622 4.640 -0.000 0.000 0.254 315 D C -1.460 175.024 176.300 0.307 0.000 1.204 315 D CA -1.418 52.849 54.000 0.444 0.000 0.896 315 D CB 1.135 42.245 40.800 0.517 0.000 1.136 315 D HN 0.255 nan 8.370 nan 0.000 0.499 316 P HA -0.182 nan 4.420 nan 0.000 0.219 316 P C 0.345 177.683 177.300 0.062 0.000 1.146 316 P CA 1.318 64.463 63.100 0.075 0.000 0.808 316 P CB 0.194 31.911 31.700 0.029 0.000 0.779 317 K N -1.834 118.607 120.400 0.070 0.000 2.374 317 K HA 0.101 4.421 4.320 -0.000 0.000 0.196 317 K C -0.218 176.157 176.600 -0.375 0.000 1.023 317 K CA 0.063 56.269 56.287 -0.134 0.000 1.103 317 K CB 0.075 32.468 32.500 -0.177 0.000 0.848 317 K HN 0.371 nan 8.250 nan 0.000 0.528 318 H N -0.085 119.062 119.070 0.129 0.000 3.239 318 H HA 0.194 4.750 4.556 -0.000 0.000 0.320 318 H C -2.789 172.597 175.328 0.097 0.000 1.074 318 H CA -1.975 54.134 56.048 0.101 0.000 1.553 318 H CB 1.271 31.094 29.762 0.101 0.000 1.752 318 H HN -0.083 nan 8.280 nan 0.000 0.513 319 P HA 0.100 nan 4.420 nan 0.000 0.269 319 P C 1.181 178.539 177.300 0.097 0.000 1.215 319 P CA 1.091 64.274 63.100 0.138 0.000 0.780 319 P CB 0.947 32.711 31.700 0.107 0.000 0.898 320 G N 0.428 109.261 108.800 0.055 0.000 2.317 320 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.227 320 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.227 320 G C -0.030 174.829 174.900 -0.068 0.000 1.042 320 G CA 0.132 45.227 45.100 -0.007 0.000 0.623 320 G HN 0.749 nan 8.290 nan 0.000 0.509 321 V N 1.330 121.209 119.914 -0.059 0.000 2.394 321 V HA 0.785 4.905 4.120 -0.000 0.000 0.282 321 V C -0.384 175.547 176.094 -0.270 0.000 1.031 321 V CA -0.536 61.644 62.300 -0.200 0.000 0.881 321 V CB 1.188 32.898 31.823 -0.188 0.000 0.982 321 V HN 0.380 nan 8.190 nan 0.000 0.451 322 N N 5.035 123.460 118.700 -0.457 0.000 2.314 322 N HA 0.639 5.379 4.740 -0.000 0.000 0.294 322 N C -1.855 173.352 175.510 -0.505 0.000 1.029 322 N CA -0.400 52.416 53.050 -0.390 0.000 0.845 322 N CB 1.810 40.136 38.487 -0.269 0.000 1.321 322 N HN 0.727 nan 8.380 nan 0.000 0.481 323 Y N 0.894 121.008 120.300 -0.310 0.000 2.509 323 Y HA 0.532 5.082 4.550 -0.000 0.000 0.341 323 Y C -0.027 175.764 175.900 -0.182 0.000 1.038 323 Y CA -0.974 57.006 58.100 -0.200 0.000 1.089 323 Y CB 1.659 39.884 38.460 -0.392 0.000 1.241 323 Y HN 0.231 nan 8.280 nan 0.000 0.468 324 M N 2.530 122.265 119.600 0.225 0.000 2.464 324 M HA 0.750 5.230 4.480 -0.000 0.000 0.308 324 M C -2.290 174.200 176.300 0.316 0.000 1.127 324 M CA -0.812 54.513 55.300 0.041 0.000 0.913 324 M CB 1.838 34.084 32.600 -0.589 0.000 1.689 324 M HN 0.569 nan 8.290 nan 0.000 0.445 325 V N 5.897 126.043 119.914 0.386 0.000 2.769 325 V HA 0.876 4.996 4.120 -0.000 0.000 0.312 325 V C -1.441 174.796 176.094 0.239 0.000 1.061 325 V CA -0.285 62.173 62.300 0.265 0.000 0.931 325 V CB 2.198 34.197 31.823 0.293 0.000 1.010 325 V HN 0.914 nan 8.190 nan 0.000 0.433 326 F N 1.760 121.673 119.950 -0.062 0.000 2.773 326 F HA 0.585 5.112 4.527 -0.000 0.000 0.314 326 F C -0.825 174.884 175.800 -0.152 0.000 1.160 326 F CA -1.063 56.841 58.000 -0.160 0.000 0.920 326 F CB 1.439 40.238 39.000 -0.335 0.000 1.323 326 F HN 0.535 nan 8.300 nan 0.000 0.457 327 E N 0.973 121.199 120.200 0.044 0.000 2.259 327 E HA 0.614 4.964 4.350 -0.000 0.000 0.281 327 E C -0.393 176.272 176.600 0.108 0.000 1.027 327 E CA -0.338 56.074 56.400 0.020 0.000 0.838 327 E CB 1.233 30.977 29.700 0.074 0.000 1.066 327 E HN 0.996 nan 8.360 nan 0.000 0.401 328 G N 3.179 112.057 108.800 0.131 0.000 3.086 328 G HA2 0.352 4.312 3.960 -0.000 0.000 0.282 328 G HA3 0.352 4.312 3.960 -0.000 0.000 0.282 328 G C -1.077 174.004 174.900 0.302 0.000 1.343 328 G CA -0.631 44.683 45.100 0.357 0.000 0.895 328 G HN 0.571 nan 8.290 nan 0.000 0.557 329 N N -0.611 118.306 118.700 0.362 0.000 2.229 329 N HA 0.414 5.154 4.740 -0.000 0.000 0.298 329 N C -0.758 174.851 175.510 0.165 0.000 1.114 329 N CA -0.369 52.823 53.050 0.236 0.000 0.776 329 N CB 2.121 40.763 38.487 0.259 0.000 1.501 329 N HN 0.383 nan 8.380 nan 0.000 0.474 330 T N 1.156 115.752 114.554 0.070 0.000 2.871 330 T HA 0.162 4.512 4.350 -0.000 0.000 0.296 330 T C 0.788 175.485 174.700 -0.005 0.000 0.998 330 T CA -0.162 61.929 62.100 -0.015 0.000 1.162 330 T CB 0.145 68.996 68.868 -0.029 0.000 0.947 330 T HN 0.546 nan 8.240 nan 0.000 0.536 331 A N 3.008 125.786 122.820 -0.071 0.000 2.536 331 A HA 0.568 4.888 4.320 -0.000 0.000 0.234 331 A C 1.092 178.648 177.584 -0.046 0.000 1.076 331 A CA 0.364 52.363 52.037 -0.064 0.000 0.769 331 A CB -0.608 18.319 19.000 -0.122 0.000 1.020 331 A HN 1.717 nan 8.150 nan 0.000 0.508 332 G N -0.511 108.267 108.800 -0.036 0.000 2.459 332 G HA2 0.305 4.265 3.960 -0.000 0.000 0.685 332 G HA3 0.305 4.265 3.960 -0.000 0.000 0.685 332 G C -0.690 174.207 174.900 -0.005 0.000 1.303 332 G CA -0.209 44.874 45.100 -0.028 0.000 0.907 332 G HN 1.090 nan 8.290 nan 0.000 0.632 333 Q N -0.084 119.713 119.800 -0.005 0.000 2.330 333 Q HA 0.411 4.751 4.340 -0.000 0.000 0.279 333 Q C 1.153 177.181 176.000 0.046 0.000 1.024 333 Q CA 0.115 55.928 55.803 0.017 0.000 0.900 333 Q CB 0.442 29.187 28.738 0.011 0.000 1.221 333 Q HN 0.691 nan 8.270 nan 0.000 0.396 334 R N 1.950 122.507 120.500 0.095 0.000 2.538 334 R HA 0.192 4.532 4.340 -0.000 0.000 0.282 334 R C 0.560 176.945 176.300 0.142 0.000 1.009 334 R CA 1.383 57.581 56.100 0.163 0.000 1.063 334 R CB -0.161 30.296 30.300 0.262 0.000 0.945 334 R HN 0.892 nan 8.270 nan 0.000 0.414 335 G N 2.425 111.213 108.800 -0.019 0.000 2.136 335 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.242 335 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.242 335 G C -0.297 174.593 174.900 -0.018 0.000 0.989 335 G CA 0.042 45.055 45.100 -0.144 0.000 0.682 335 G HN 0.522 nan 8.290 nan 0.000 0.522 336 V N 0.964 120.835 119.914 -0.071 0.000 2.385 336 V HA 0.639 4.759 4.120 -0.000 0.000 0.269 336 V C 1.039 176.924 176.094 -0.349 0.000 1.043 336 V CA -0.058 62.140 62.300 -0.170 0.000 0.906 336 V CB 1.295 33.057 31.823 -0.101 0.000 0.995 336 V HN 1.096 nan 8.190 nan 0.000 0.467 337 A N 4.993 127.387 122.820 -0.710 0.000 2.981 337 A HA 0.266 4.586 4.320 -0.000 0.000 0.280 337 A C 0.876 178.233 177.584 -0.379 0.000 1.743 337 A CA -0.251 51.211 52.037 -0.958 0.000 1.430 337 A CB -0.758 17.509 19.000 -1.221 0.000 1.085 337 A HN 0.929 nan 8.150 nan 0.000 0.597 338 N N 0.288 118.859 118.700 -0.214 0.000 2.351 338 N HA 0.103 4.843 4.740 -0.000 0.000 0.254 338 N C -0.412 175.054 175.510 -0.074 0.000 1.241 338 N CA -0.284 52.691 53.050 -0.124 0.000 0.883 338 N CB -0.935 37.490 38.487 -0.103 0.000 1.202 338 N HN 0.292 nan 8.380 nan 0.000 0.512 339 c N 0.993 119.561 118.600 -0.053 0.000 2.656 339 c HA 0.684 5.254 4.570 -0.000 0.000 0.391 339 c C 1.167 175.240 174.090 -0.029 0.000 1.300 339 c CA -0.153 56.161 56.329 -0.025 0.000 2.302 339 c CB 0.518 43.033 42.510 0.009 0.000 2.655 339 c HN 0.651 nan 8.230 nan 0.000 0.656 340 T N -1.266 113.272 114.554 -0.027 0.000 2.864 340 T HA 0.331 4.681 4.350 -0.000 0.000 0.289 340 T C 0.699 175.391 174.700 -0.013 0.000 1.082 340 T CA -0.502 61.585 62.100 -0.022 0.000 1.009 340 T CB 1.093 69.943 68.868 -0.031 0.000 1.234 340 T HN 0.595 nan 8.240 nan 0.000 0.526 341 E N 0.352 120.552 120.200 0.000 0.000 2.171 341 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 341 E C 2.325 178.915 176.600 -0.018 0.000 0.997 341 E CA 1.558 57.967 56.400 0.014 0.000 0.810 341 E CB -0.802 28.917 29.700 0.032 0.000 0.738 341 E HN 0.784 nan 8.360 nan 0.000 0.467 342 A N 1.886 124.689 122.820 -0.028 0.000 1.940 342 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 342 A C 1.768 179.317 177.584 -0.058 0.000 1.176 342 A CA 1.772 53.783 52.037 -0.042 0.000 0.631 342 A CB -0.302 18.670 19.000 -0.047 0.000 0.814 342 A HN 0.090 nan 8.150 nan 0.000 0.446 343 D N -0.497 119.868 120.400 -0.058 0.000 2.219 343 D HA -0.055 4.585 4.640 -0.000 0.000 0.205 343 D C 1.693 177.922 176.300 -0.118 0.000 0.970 343 D CA 0.795 54.755 54.000 -0.067 0.000 0.851 343 D CB -0.140 40.630 40.800 -0.050 0.000 0.943 343 D HN 0.330 nan 8.370 nan 0.000 0.488 344 L N -0.015 121.121 121.223 -0.144 0.000 2.034 344 L HA 0.124 4.464 4.340 -0.000 0.000 0.203 344 L C 1.955 178.494 176.870 -0.552 0.000 1.074 344 L CA 1.599 56.245 54.840 -0.324 0.000 0.748 344 L CB -0.844 41.131 42.059 -0.140 0.000 0.905 344 L HN 0.222 nan 8.230 nan 0.000 0.439 345 G N -1.794 106.816 108.800 -0.316 0.000 2.143 345 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 345 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 345 G C 0.175 174.948 174.900 -0.212 0.000 0.991 345 G CA -0.148 44.817 45.100 -0.224 0.000 0.689 345 G HN 0.089 nan 8.290 nan 0.000 0.522 346 F N 1.114 121.083 119.950 0.032 0.000 2.518 346 F HA 0.463 4.990 4.527 -0.000 0.000 0.359 346 F C 1.602 177.416 175.800 0.023 0.000 1.118 346 F CA -0.256 57.764 58.000 0.032 0.000 1.287 346 F CB 0.484 39.501 39.000 0.028 0.000 1.132 346 F HN 0.069 nan 8.300 nan 0.000 0.587 347 R N 2.694 123.332 120.500 0.230 0.000 2.582 347 R HA 0.292 4.632 4.340 -0.000 0.000 0.271 347 R C -2.282 174.087 176.300 0.115 0.000 1.078 347 R CA -1.599 54.579 56.100 0.130 0.000 1.127 347 R CB -0.111 30.251 30.300 0.104 0.000 1.038 347 R HN 0.306 nan 8.270 nan 0.000 0.500 348 P HA 0.016 nan 4.420 nan 0.000 0.266 348 P C -0.782 176.542 177.300 0.039 0.000 1.195 348 P CA 0.153 63.286 63.100 0.055 0.000 0.768 348 P CB 0.319 32.042 31.700 0.040 0.000 0.838 349 N N -0.922 117.791 118.700 0.022 0.000 2.714 349 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 349 N C -0.289 175.217 175.510 -0.007 0.000 1.117 349 N CA 0.735 53.787 53.050 0.003 0.000 0.719 349 N CB -1.403 37.087 38.487 0.006 0.000 1.081 349 N HN 0.531 nan 8.380 nan 0.000 0.557 350 D N -0.000 120.393 120.400 -0.011 0.000 2.371 350 D HA 0.085 4.725 4.640 -0.000 0.000 0.256 350 D C -1.083 175.166 176.300 -0.085 0.000 1.193 350 D CA -1.731 52.250 54.000 -0.032 0.000 0.881 350 D CB 0.969 41.754 40.800 -0.025 0.000 1.143 350 D HN 0.071 nan 8.370 nan 0.000 0.473 351 P HA -0.086 nan 4.420 nan 0.000 0.218 351 P C -0.260 176.963 177.300 -0.129 0.000 1.148 351 P CA 1.115 64.166 63.100 -0.083 0.000 0.822 351 P CB 0.239 31.904 31.700 -0.058 0.000 0.784 352 N N -1.351 117.257 118.700 -0.154 0.000 2.401 352 N HA 0.339 5.079 4.740 -0.000 0.000 0.264 352 N C -0.244 175.066 175.510 -0.334 0.000 1.238 352 N CA -0.274 52.654 53.050 -0.203 0.000 0.889 352 N CB 0.395 38.778 38.487 -0.173 0.000 1.196 352 N HN 0.041 nan 8.380 nan 0.000 0.511 353 A N 0.671 123.191 122.820 -0.499 0.000 2.351 353 A HA 0.337 4.657 4.320 -0.000 0.000 0.257 353 A C 0.268 177.426 177.584 -0.710 0.000 1.087 353 A CA -0.316 51.051 52.037 -1.117 0.000 0.798 353 A CB 0.496 18.847 19.000 -1.082 0.000 1.033 353 A HN 0.305 nan 8.150 nan 0.000 0.488 354 E N -0.050 119.729 120.200 -0.701 0.000 2.280 354 E HA 0.482 4.832 4.350 -0.000 0.000 0.264 354 E C 0.131 176.708 176.600 -0.039 0.000 1.064 354 E CA -0.486 55.816 56.400 -0.163 0.000 0.900 354 E CB 0.910 30.651 29.700 0.068 0.000 1.123 354 E HN 0.732 nan 8.360 nan 0.000 0.418 355 T N -1.020 113.542 114.554 0.014 0.000 2.918 355 T HA 0.149 4.499 4.350 -0.000 0.000 0.283 355 T C 0.850 175.602 174.700 0.087 0.000 1.001 355 T CA -0.805 61.323 62.100 0.047 0.000 1.041 355 T CB 0.925 69.804 68.868 0.017 0.000 1.028 355 T HN 0.344 nan 8.240 nan 0.000 0.511 356 L N 1.053 122.325 121.223 0.082 0.000 2.013 356 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 356 L C 2.758 179.661 176.870 0.055 0.000 1.073 356 L CA 2.036 56.917 54.840 0.069 0.000 0.753 356 L CB -1.247 40.838 42.059 0.045 0.000 0.890 356 L HN 0.912 nan 8.230 nan 0.000 0.432 357 Q N -0.163 119.661 119.800 0.039 0.000 2.020 357 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 357 Q C 2.067 178.096 176.000 0.050 0.000 0.982 357 Q CA 2.053 57.877 55.803 0.034 0.000 0.838 357 Q CB -0.196 28.554 28.738 0.020 0.000 0.899 357 Q HN 0.607 nan 8.270 nan 0.000 0.423 358 E N -0.969 119.258 120.200 0.045 0.000 2.082 358 E HA -0.270 4.080 4.350 -0.000 0.000 0.215 358 E C 1.926 178.570 176.600 0.072 0.000 1.048 358 E CA 2.043 58.472 56.400 0.050 0.000 0.869 358 E CB -0.372 29.351 29.700 0.037 0.000 0.773 358 E HN 0.197 nan 8.360 nan 0.000 0.466 359 V N 0.898 120.863 119.914 0.086 0.000 2.287 359 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 359 V C 2.290 178.463 176.094 0.132 0.000 1.053 359 V CA 1.412 63.772 62.300 0.101 0.000 1.027 359 V CB -0.461 31.427 31.823 0.108 0.000 0.646 359 V HN 0.227 nan 8.190 nan 0.000 0.447 360 L N 0.113 121.418 121.223 0.135 0.000 2.013 360 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 360 L C 2.244 179.284 176.870 0.283 0.000 1.073 360 L CA 2.026 56.992 54.840 0.209 0.000 0.753 360 L CB -1.411 40.686 42.059 0.063 0.000 0.890 360 L HN 0.372 nan 8.230 nan 0.000 0.432 361 D N -1.237 119.263 120.400 0.167 0.000 2.178 361 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 361 D C 2.298 178.681 176.300 0.139 0.000 0.974 361 D CA 0.996 55.089 54.000 0.156 0.000 0.841 361 D CB 0.012 40.868 40.800 0.093 0.000 0.953 361 D HN 0.168 nan 8.370 nan 0.000 0.478 362 S N -0.551 115.214 115.700 0.108 0.000 2.434 362 S HA -0.199 4.271 4.470 -0.000 0.000 0.243 362 S C 1.692 176.323 174.600 0.053 0.000 1.045 362 S CA 1.577 59.822 58.200 0.074 0.000 1.019 362 S CB -0.360 62.881 63.200 0.068 0.000 0.811 362 S HN 0.577 nan 8.310 nan 0.000 0.485 363 G N -0.434 108.403 108.800 0.062 0.000 2.143 363 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.249 363 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.249 363 G C 0.726 175.487 174.900 -0.231 0.000 0.981 363 G CA 0.472 45.484 45.100 -0.146 0.000 0.665 363 G HN 0.858 nan 8.290 nan 0.000 0.528 364 A N -0.125 122.667 122.820 -0.048 0.000 2.178 364 A HA 0.256 4.576 4.320 -0.000 0.000 0.218 364 A C 1.772 179.354 177.584 -0.004 0.000 1.157 364 A CA 1.924 53.960 52.037 -0.002 0.000 0.689 364 A CB -0.649 18.383 19.000 0.053 0.000 0.787 364 A HN 1.622 nan 8.150 nan 0.000 0.465 365 Y N -4.377 115.916 120.300 -0.012 0.000 2.578 365 Y HA 0.179 4.729 4.550 -0.000 0.000 0.297 365 Y C 1.447 177.236 175.900 -0.185 0.000 1.176 365 Y CA -0.001 58.035 58.100 -0.107 0.000 1.315 365 Y CB -0.792 37.570 38.460 -0.163 0.000 1.031 365 Y HN 0.268 nan 8.280 nan 0.000 0.524 366 Y N 0.722 120.865 120.300 -0.263 0.000 2.519 366 Y HA 0.056 4.606 4.550 -0.000 0.000 0.287 366 Y C 0.543 176.426 175.900 -0.028 0.000 1.128 366 Y CA 0.180 58.207 58.100 -0.122 0.000 1.282 366 Y CB 0.167 38.511 38.460 -0.193 0.000 1.027 366 Y HN 0.133 nan 8.280 nan 0.000 0.551 367 Q N 1.047 120.892 119.800 0.074 0.000 2.421 367 Q HA 0.253 4.593 4.340 -0.000 0.000 0.242 367 Q C -0.614 175.405 176.000 0.032 0.000 1.024 367 Q CA 0.075 55.907 55.803 0.047 0.000 0.891 367 Q CB 0.699 29.445 28.738 0.014 0.000 1.222 367 Q HN 0.115 nan 8.270 nan 0.000 0.483 368 K N 1.268 121.699 120.400 0.051 0.000 3.301 368 K HA 0.464 4.784 4.320 -0.000 0.000 0.170 368 K C -0.822 175.812 176.600 0.057 0.000 1.061 368 K CA -0.383 55.931 56.287 0.043 0.000 0.807 368 K CB 1.184 33.716 32.500 0.054 0.000 0.889 368 K HN 0.556 nan 8.250 nan 0.000 0.564 369 A N 2.059 124.906 122.820 0.044 0.000 2.386 369 A HA 0.383 4.703 4.320 -0.000 0.000 0.248 369 A C 0.121 177.733 177.584 0.046 0.000 1.082 369 A CA -0.112 51.961 52.037 0.061 0.000 0.789 369 A CB 0.170 19.200 19.000 0.050 0.000 1.025 369 A HN 0.669 nan 8.150 nan 0.000 0.490 370 N N -0.455 118.277 118.700 0.053 0.000 2.610 370 N HA 0.542 5.282 4.740 -0.000 0.000 0.264 370 N C -1.526 173.965 175.510 -0.033 0.000 1.348 370 N CA -0.730 52.326 53.050 0.010 0.000 0.819 370 N CB 0.852 39.347 38.487 0.012 0.000 1.521 370 N HN 0.396 nan 8.380 nan 0.000 0.497 371 I N 0.300 120.803 120.570 -0.111 0.000 2.362 371 I HA 0.545 4.715 4.170 -0.000 0.000 0.289 371 I C 0.699 176.660 176.117 -0.259 0.000 0.994 371 I CA -0.853 60.319 61.300 -0.214 0.000 1.158 371 I CB 1.502 39.360 38.000 -0.237 0.000 1.315 371 I HN 0.738 nan 8.210 nan 0.000 0.451 372 G N 5.776 114.189 108.800 -0.645 0.000 2.488 372 G HA2 0.682 4.642 3.960 -0.000 0.000 0.318 372 G HA3 0.682 4.642 3.960 -0.000 0.000 0.318 372 G C -1.472 173.068 174.900 -0.601 0.000 1.188 372 G CA -0.420 44.226 45.100 -0.757 0.000 0.944 372 G HN 0.388 nan 8.290 nan 0.000 0.495 373 L N 0.268 121.476 121.223 -0.025 0.000 2.408 373 L HA 0.843 5.183 4.340 -0.000 0.000 0.268 373 L C -0.089 177.095 176.870 0.523 0.000 0.986 373 L CA -0.489 54.506 54.840 0.259 0.000 0.820 373 L CB 1.857 44.064 42.059 0.247 0.000 1.303 373 L HN 0.867 nan 8.230 nan 0.000 0.411 374 A N 4.926 128.072 122.820 0.543 0.000 2.469 374 A HA 0.828 5.148 4.320 -0.000 0.000 0.299 374 A C -1.569 176.335 177.584 0.533 0.000 1.098 374 A CA -0.556 51.784 52.037 0.505 0.000 0.737 374 A CB 1.443 20.649 19.000 0.344 0.000 1.312 374 A HN 0.783 nan 8.150 nan 0.000 0.414 375 I N 0.747 121.565 120.570 0.414 0.000 2.545 375 I HA 0.663 4.833 4.170 -0.000 0.000 0.292 375 I C 0.351 176.353 176.117 -0.192 0.000 1.040 375 I CA -0.823 60.533 61.300 0.093 0.000 1.068 375 I CB 1.734 39.693 38.000 -0.068 0.000 1.251 375 I HN 0.866 nan 8.210 nan 0.000 0.424 376 A N 4.448 126.742 122.820 -0.876 0.000 2.488 376 A HA 0.261 4.581 4.320 -0.000 0.000 0.249 376 A C 0.906 178.076 177.584 -0.690 0.000 1.083 376 A CA 0.094 51.286 52.037 -1.408 0.000 0.768 376 A CB 0.128 18.178 19.000 -1.583 0.000 1.017 376 A HN 0.862 nan 8.150 nan 0.000 0.496 377 T N 1.320 115.544 114.554 -0.550 0.000 3.023 377 T HA 0.022 4.372 4.350 -0.000 0.000 0.266 377 T C 0.369 174.899 174.700 -0.283 0.000 1.093 377 T CA 1.440 63.349 62.100 -0.319 0.000 1.129 377 T CB -0.321 68.414 68.868 -0.221 0.000 0.899 377 T HN 0.941 nan 8.240 nan 0.000 0.491 378 D N -0.636 119.563 120.400 -0.335 0.000 2.664 378 D HA 0.242 4.882 4.640 -0.000 0.000 0.292 378 D C 0.689 176.835 176.300 -0.258 0.000 1.214 378 D CA -0.519 53.334 54.000 -0.244 0.000 0.932 378 D CB 0.650 41.344 40.800 -0.176 0.000 1.420 378 D HN -0.015 nan 8.370 nan 0.000 0.471 379 S N -1.404 114.192 115.700 -0.173 0.000 2.515 379 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 379 S C 1.730 176.267 174.600 -0.106 0.000 0.987 379 S CA 1.308 59.426 58.200 -0.136 0.000 0.936 379 S CB -1.099 62.047 63.200 -0.091 0.000 0.766 379 S HN 0.750 nan 8.310 nan 0.000 0.528 380 T N -0.158 114.332 114.554 -0.107 0.000 2.951 380 T HA 0.059 4.409 4.350 -0.000 0.000 0.268 380 T C 0.914 175.606 174.700 -0.015 0.000 1.073 380 T CA 0.792 62.855 62.100 -0.060 0.000 1.134 380 T CB -0.667 68.165 68.868 -0.060 0.000 0.884 380 T HN 0.286 nan 8.240 nan 0.000 0.479 381 L N 0.913 122.084 121.223 -0.086 0.000 4.696 381 L HA -0.191 4.149 4.340 -0.000 0.000 0.425 381 L C 1.764 178.812 176.870 0.297 0.000 1.115 381 L CA 0.936 55.807 54.840 0.051 0.000 0.996 381 L CB -2.778 39.531 42.059 0.417 0.000 2.077 381 L HN 0.680 nan 8.230 nan 0.000 0.792 382 S N -2.981 112.768 115.700 0.082 0.000 2.548 382 S HA 0.236 4.706 4.470 -0.000 0.000 0.215 382 S C 0.740 175.399 174.600 0.098 0.000 0.976 382 S CA 0.094 58.368 58.200 0.123 0.000 0.908 382 S CB 0.381 63.597 63.200 0.027 0.000 0.781 382 S HN 0.467 nan 8.310 nan 0.000 0.519 383 K N 0.454 120.812 120.400 -0.071 0.000 2.507 383 K HA 0.524 4.844 4.320 -0.000 0.000 0.251 383 K C -1.873 174.506 176.600 -0.369 0.000 0.943 383 K CA -0.567 55.656 56.287 -0.106 0.000 0.794 383 K CB 1.561 33.974 32.500 -0.146 0.000 1.188 383 K HN 0.246 nan 8.250 nan 0.000 0.428 384 W N 1.305 122.519 121.300 -0.142 0.000 3.335 384 W HA 0.551 5.211 4.660 -0.000 0.000 0.335 384 W C -0.801 175.598 176.519 -0.201 0.000 1.164 384 W CA -0.536 56.703 57.345 -0.178 0.000 1.010 384 W CB 1.125 30.452 29.460 -0.223 0.000 1.524 384 W HN 0.208 nan 8.180 nan 0.000 0.605 385 K N 1.323 121.765 120.400 0.070 0.000 2.578 385 K HA 0.216 4.536 4.320 -0.000 0.000 0.263 385 K C -1.704 174.956 176.600 0.101 0.000 0.973 385 K CA -0.516 55.768 56.287 -0.005 0.000 0.909 385 K CB 0.624 33.136 32.500 0.021 0.000 1.326 385 K HN 0.250 nan 8.250 nan 0.000 0.440 386 F N 3.408 123.499 119.950 0.235 0.000 2.496 386 F HA 0.315 4.842 4.527 -0.000 0.000 0.344 386 F C 0.775 176.756 175.800 0.303 0.000 1.155 386 F CA 0.159 58.357 58.000 0.329 0.000 1.302 386 F CB 0.412 39.666 39.000 0.422 0.000 1.159 386 F HN 0.270 nan 8.300 nan 0.000 0.595 387 L N 0.126 121.711 121.223 0.604 0.000 2.257 387 L HA 0.446 4.786 4.340 -0.000 0.000 0.257 387 L C -0.009 177.076 176.870 0.359 0.000 1.033 387 L CA -1.172 53.905 54.840 0.395 0.000 0.835 387 L CB 1.781 44.044 42.059 0.340 0.000 1.398 387 L HN 0.387 nan 8.230 nan 0.000 0.429 388 S N 1.312 117.130 115.700 0.197 0.000 2.573 388 S HA 0.160 4.630 4.470 -0.000 0.000 0.277 388 S C -2.348 172.316 174.600 0.107 0.000 1.346 388 S CA -0.681 57.565 58.200 0.076 0.000 1.034 388 S CB 0.250 63.459 63.200 0.015 0.000 0.879 388 S HN 0.309 nan 8.310 nan 0.000 0.528 389 P HA 0.107 nan 4.420 nan 0.000 0.268 389 P C 0.637 177.940 177.300 0.006 0.000 1.204 389 P CA -0.113 63.012 63.100 0.042 0.000 0.768 389 P CB 0.432 32.099 31.700 -0.055 0.000 0.842 390 L N 2.544 123.782 121.223 0.025 0.000 2.017 390 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 390 L C 1.207 178.100 176.870 0.039 0.000 1.073 390 L CA 1.595 56.482 54.840 0.079 0.000 0.745 390 L CB -0.337 41.771 42.059 0.081 0.000 0.894 390 L HN 0.354 nan 8.230 nan 0.000 0.432 391 I N -0.894 119.624 120.570 -0.087 0.000 2.619 391 I HA 0.175 4.345 4.170 -0.000 0.000 0.292 391 I C -0.367 175.679 176.117 -0.118 0.000 1.100 391 I CA -0.375 60.833 61.300 -0.152 0.000 1.043 391 I CB 2.252 40.008 38.000 -0.407 0.000 1.239 391 I HN -0.025 nan 8.210 nan 0.000 0.420 392 S N 3.933 119.586 115.700 -0.077 0.000 2.532 392 S HA 0.824 5.294 4.470 -0.000 0.000 0.301 392 S C -0.162 174.453 174.600 0.026 0.000 1.083 392 S CA -0.576 57.600 58.200 -0.039 0.000 1.025 392 S CB 2.117 65.277 63.200 -0.067 0.000 1.056 392 S HN 0.732 nan 8.310 nan 0.000 0.494 393 A N 2.364 125.207 122.820 0.038 0.000 2.855 393 A HA 0.405 4.725 4.320 -0.000 0.000 0.301 393 A C -0.139 177.418 177.584 -0.045 0.000 1.076 393 A CA -0.817 51.239 52.037 0.032 0.000 1.004 393 A CB -0.582 18.480 19.000 0.104 0.000 1.152 393 A HN 0.743 nan 8.150 nan 0.000 0.531 394 N N -0.165 118.516 118.700 -0.032 0.000 2.412 394 N HA 0.114 4.854 4.740 -0.000 0.000 0.258 394 N C 0.774 176.258 175.510 -0.043 0.000 1.236 394 N CA 0.550 53.583 53.050 -0.028 0.000 0.882 394 N CB 0.233 38.705 38.487 -0.025 0.000 1.066 394 N HN 0.471 nan 8.380 nan 0.000 0.465 395 c N 0.864 119.450 118.600 -0.023 0.000 4.497 395 c HA -0.134 4.436 4.570 -0.000 0.000 0.268 395 c C 1.557 175.614 174.090 -0.056 0.000 1.343 395 c CA 0.480 56.800 56.329 -0.015 0.000 1.742 395 c CB -2.122 40.387 42.510 -0.001 0.000 1.450 395 c HN 0.675 nan 8.230 nan 0.000 0.733 396 V N -1.579 118.267 119.914 -0.113 0.000 3.103 396 V HA 0.394 4.514 4.120 -0.000 0.000 0.229 396 V C 0.510 176.502 176.094 -0.171 0.000 1.304 396 V CA 1.193 63.373 62.300 -0.200 0.000 1.298 396 V CB 0.319 31.852 31.823 -0.483 0.000 1.093 396 V HN 0.625 nan 8.190 nan 0.000 0.489 397 N N -0.536 118.033 118.700 -0.218 0.000 2.636 397 N HA 0.165 4.905 4.740 -0.000 0.000 0.261 397 N C -1.071 174.371 175.510 -0.113 0.000 1.195 397 N CA -0.047 52.846 53.050 -0.261 0.000 0.902 397 N CB 2.583 40.717 38.487 -0.588 0.000 1.627 397 N HN 0.093 nan 8.380 nan 0.000 0.491 398 D N 0.395 120.755 120.400 -0.066 0.000 2.379 398 D HA 0.180 4.820 4.640 -0.000 0.000 0.208 398 D C -0.641 175.687 176.300 0.046 0.000 1.065 398 D CA 0.844 54.854 54.000 0.017 0.000 0.848 398 D CB 0.601 41.430 40.800 0.047 0.000 0.949 398 D HN 0.348 nan 8.370 nan 0.000 0.509 399 Q N 0.087 119.898 119.800 0.019 0.000 2.303 399 Q HA 0.328 4.668 4.340 -0.000 0.000 0.267 399 Q C -1.211 174.810 176.000 0.036 0.000 1.011 399 Q CA -0.488 55.352 55.803 0.062 0.000 0.740 399 Q CB 2.039 30.848 28.738 0.119 0.000 1.250 399 Q HN 0.052 nan 8.270 nan 0.000 0.458 400 T N -0.129 114.457 114.554 0.053 0.000 3.053 400 T HA 0.426 4.776 4.350 -0.000 0.000 0.363 400 T C -0.151 174.573 174.700 0.040 0.000 1.239 400 T CA -0.793 61.331 62.100 0.041 0.000 1.071 400 T CB 0.738 69.622 68.868 0.028 0.000 1.089 400 T HN 0.354 nan 8.240 nan 0.000 0.527 401 E N 1.721 121.954 120.200 0.056 0.000 2.280 401 E HA 0.416 4.766 4.350 -0.000 0.000 0.264 401 E C -0.050 176.575 176.600 0.043 0.000 1.064 401 E CA -1.276 55.166 56.400 0.071 0.000 0.900 401 E CB 0.824 30.595 29.700 0.119 0.000 1.123 401 E HN 0.467 nan 8.360 nan 0.000 0.418 402 R N 0.329 120.867 120.500 0.063 0.000 3.034 402 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 402 R C -2.241 174.072 176.300 0.021 0.000 0.861 402 R CA -0.078 56.064 56.100 0.069 0.000 0.588 402 R CB -1.768 28.594 30.300 0.104 0.000 1.035 402 R HN 0.367 nan 8.270 nan 0.000 0.488 403 P HA -0.037 nan 4.420 nan 0.000 0.271 403 P C -0.552 176.631 177.300 -0.195 0.000 1.216 403 P CA 0.307 63.350 63.100 -0.095 0.000 0.771 403 P CB 0.940 32.578 31.700 -0.104 0.000 0.864 404 Q N 1.345 120.927 119.800 -0.363 0.000 2.389 404 Q HA 0.618 4.958 4.340 -0.000 0.000 0.277 404 Q C -1.200 174.433 176.000 -0.611 0.000 1.082 404 Q CA -1.252 54.038 55.803 -0.856 0.000 0.810 404 Q CB 2.126 30.315 28.738 -0.914 0.000 1.374 404 Q HN 0.262 nan 8.270 nan 0.000 0.422 405 V N 1.500 120.991 119.914 -0.705 0.000 2.427 405 V HA 0.655 4.775 4.120 -0.000 0.000 0.286 405 V C -1.726 174.235 176.094 -0.223 0.000 1.034 405 V CA -0.351 61.713 62.300 -0.394 0.000 0.893 405 V CB 1.143 32.720 31.823 -0.411 0.000 0.982 405 V HN 0.846 nan 8.190 nan 0.000 0.452 406 Y N 5.714 125.902 120.300 -0.187 0.000 2.373 406 Y HA 0.696 5.246 4.550 -0.000 0.000 0.336 406 Y C -0.961 174.955 175.900 0.027 0.000 0.979 406 Y CA -1.016 57.053 58.100 -0.051 0.000 1.080 406 Y CB 1.839 40.334 38.460 0.058 0.000 1.190 406 Y HN 0.812 nan 8.280 nan 0.000 0.446 407 L N 6.537 127.532 121.223 -0.380 0.000 2.289 407 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 407 L C -1.018 175.698 176.870 -0.258 0.000 1.049 407 L CA -0.646 54.017 54.840 -0.295 0.000 0.804 407 L CB 1.053 42.898 42.059 -0.356 0.000 1.195 407 L HN 0.711 nan 8.230 nan 0.000 0.428 408 H N 3.007 122.029 119.070 -0.080 0.000 3.087 408 H HA 0.259 4.815 4.556 -0.000 0.000 0.348 408 H C -0.395 174.991 175.328 0.096 0.000 1.092 408 H CA -0.813 55.228 56.048 -0.012 0.000 1.285 408 H CB 1.005 30.794 29.762 0.045 0.000 1.875 408 H HN 0.559 nan 8.280 nan 0.000 0.512 409 N N 3.248 121.661 118.700 -0.478 0.000 2.708 409 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 409 N C 0.963 176.401 175.510 -0.120 0.000 1.017 409 N CA 1.851 54.718 53.050 -0.305 0.000 0.742 409 N CB -1.308 36.997 38.487 -0.303 0.000 0.943 409 N HN 1.183 nan 8.380 nan 0.000 0.539 410 G N -1.592 107.134 108.800 -0.122 0.000 2.179 410 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.257 410 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.257 410 G C -0.008 174.847 174.900 -0.076 0.000 1.010 410 G CA 1.049 46.087 45.100 -0.103 0.000 0.736 410 G HN 0.610 nan 8.290 nan 0.000 0.513 411 K N -1.087 119.281 120.400 -0.053 0.000 2.350 411 K HA 0.588 4.908 4.320 -0.000 0.000 0.241 411 K C -1.166 175.380 176.600 -0.091 0.000 0.994 411 K CA -1.051 55.221 56.287 -0.026 0.000 0.839 411 K CB 1.564 34.016 32.500 -0.081 0.000 1.244 411 K HN 0.044 nan 8.250 nan 0.000 0.443 412 Y N 0.938 121.196 120.300 -0.071 0.000 2.385 412 Y HA 0.256 4.806 4.550 0.000 0.000 0.341 412 Y C -0.536 175.310 175.900 -0.089 0.000 0.965 412 Y CA -0.506 57.600 58.100 0.010 0.000 1.180 412 Y CB 0.441 38.948 38.460 0.078 0.000 1.139 412 Y HN 0.370 nan 8.280 nan 0.000 0.502 413 Y N 3.233 123.548 120.300 0.026 0.000 2.334 413 Y HA 0.546 5.096 4.550 -0.000 0.000 0.328 413 Y C -0.018 175.599 175.900 -0.472 0.000 1.130 413 Y CA -0.806 57.133 58.100 -0.269 0.000 1.163 413 Y CB 1.220 39.416 38.460 -0.440 0.000 1.207 413 Y HN 0.376 nan 8.280 nan 0.000 0.471 414 I N 3.946 124.187 120.570 -0.548 0.000 2.382 414 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 414 I C -1.197 174.588 176.117 -0.553 0.000 1.002 414 I CA -0.424 60.543 61.300 -0.555 0.000 1.135 414 I CB 0.652 38.227 38.000 -0.708 0.000 1.288 414 I HN 0.381 nan 8.210 nan 0.000 0.448 415 F N 3.970 123.812 119.950 -0.179 0.000 2.458 415 F HA 0.689 5.216 4.527 -0.000 0.000 0.330 415 F C 0.541 176.241 175.800 -0.167 0.000 1.082 415 F CA -0.582 57.302 58.000 -0.194 0.000 0.995 415 F CB 2.043 40.852 39.000 -0.319 0.000 1.170 415 F HN 0.235 nan 8.300 nan 0.000 0.478 416 T N 3.672 118.296 114.554 0.117 0.000 2.840 416 T HA 0.677 5.027 4.350 -0.000 0.000 0.317 416 T C -1.347 173.404 174.700 0.084 0.000 1.401 416 T CA -0.653 61.480 62.100 0.054 0.000 1.028 416 T CB 0.997 69.881 68.868 0.027 0.000 1.317 416 T HN 0.615 nan 8.240 nan 0.000 0.495 417 I N 0.309 120.900 120.570 0.035 0.000 2.797 417 I HA 0.946 5.116 4.170 -0.000 0.000 0.307 417 I C -0.520 175.632 176.117 0.059 0.000 1.033 417 I CA -0.695 60.615 61.300 0.018 0.000 1.071 417 I CB 2.111 39.970 38.000 -0.235 0.000 1.255 417 I HN 0.628 nan 8.210 nan 0.000 0.445 418 S N 1.397 117.186 115.700 0.148 0.000 2.588 418 S HA 0.488 4.958 4.470 -0.000 0.000 0.269 418 S C -1.428 173.291 174.600 0.198 0.000 1.157 418 S CA -0.619 57.632 58.200 0.084 0.000 0.824 418 S CB 1.509 64.616 63.200 -0.154 0.000 1.126 418 S HN 0.794 nan 8.310 nan 0.000 0.464 419 H N 1.712 120.917 119.070 0.225 0.000 2.479 419 H HA 0.382 4.938 4.556 -0.000 0.000 0.335 419 H C 1.044 176.503 175.328 0.219 0.000 1.142 419 H CA -0.420 55.748 56.048 0.199 0.000 1.234 419 H CB 1.477 31.267 29.762 0.048 0.000 1.503 419 H HN 0.718 nan 8.280 nan 0.000 0.510 420 R N 1.281 122.054 120.500 0.455 0.000 2.096 420 R HA -0.155 4.185 4.340 -0.000 0.000 0.240 420 R C 1.630 178.166 176.300 0.392 0.000 1.139 420 R CA 2.468 58.855 56.100 0.479 0.000 0.952 420 R CB -0.602 29.856 30.300 0.263 0.000 0.854 420 R HN 0.695 nan 8.270 nan 0.000 0.436 421 T N -3.812 110.897 114.554 0.259 0.000 3.160 421 T HA -0.011 4.339 4.350 -0.000 0.000 0.257 421 T C 1.482 176.244 174.700 0.103 0.000 1.147 421 T CA 1.147 63.334 62.100 0.145 0.000 1.064 421 T CB 0.029 68.930 68.868 0.055 0.000 0.949 421 T HN 0.238 nan 8.240 nan 0.000 0.526 422 T N 0.397 115.027 114.554 0.127 0.000 3.054 422 T HA 0.393 4.743 4.350 -0.000 0.000 0.255 422 T C -0.087 174.596 174.700 -0.029 0.000 1.035 422 T CA -0.687 61.437 62.100 0.040 0.000 0.941 422 T CB -0.440 68.470 68.868 0.071 0.000 1.026 422 T HN 0.315 nan 8.240 nan 0.000 0.533 423 F N 2.006 121.974 119.950 0.029 0.000 2.426 423 F HA 0.580 5.107 4.527 -0.000 0.000 0.309 423 F C 1.042 176.825 175.800 -0.027 0.000 1.246 423 F CA -0.612 57.373 58.000 -0.025 0.000 1.229 423 F CB 0.390 39.378 39.000 -0.020 0.000 1.255 423 F HN 0.045 nan 8.300 nan 0.000 0.558 424 A N 0.696 123.636 122.820 0.201 0.000 2.269 424 A HA 0.728 5.048 4.320 -0.000 0.000 0.319 424 A C -0.573 177.060 177.584 0.081 0.000 1.110 424 A CA -0.475 51.616 52.037 0.091 0.000 0.847 424 A CB 0.180 19.208 19.000 0.047 0.000 1.161 424 A HN 0.955 nan 8.150 nan 0.000 0.497 425 A N -0.310 122.539 122.820 0.048 0.000 2.567 425 A HA 0.444 4.764 4.320 -0.000 0.000 0.240 425 A C 1.609 179.216 177.584 0.038 0.000 1.053 425 A CA 1.070 53.129 52.037 0.037 0.000 0.755 425 A CB -0.934 18.083 19.000 0.028 0.000 0.978 425 A HN 2.756 nan 8.150 nan 0.000 0.507 426 G N 0.772 109.589 108.800 0.029 0.000 2.253 426 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.251 426 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.251 426 G C 0.205 175.116 174.900 0.019 0.000 0.998 426 G CA 0.282 45.400 45.100 0.030 0.000 0.621 426 G HN 1.605 nan 8.290 nan 0.000 0.524 427 V N 0.568 120.480 119.914 -0.003 0.000 2.628 427 V HA 0.755 4.875 4.120 -0.000 0.000 0.306 427 V C -0.739 175.218 176.094 -0.228 0.000 1.045 427 V CA -0.403 61.848 62.300 -0.083 0.000 0.905 427 V CB 1.996 33.786 31.823 -0.055 0.000 0.997 427 V HN 0.316 nan 8.190 nan 0.000 0.436 428 D N 1.628 121.788 120.400 -0.400 0.000 2.990 428 D HA 0.739 5.379 4.640 -0.000 0.000 0.227 428 D C -0.248 175.681 176.300 -0.618 0.000 1.249 428 D CA 0.189 53.910 54.000 -0.465 0.000 0.891 428 D CB 2.164 42.864 40.800 -0.167 0.000 1.647 428 D HN 0.890 nan 8.370 nan 0.000 0.530 429 G N 1.817 110.174 108.800 -0.738 0.000 2.649 429 G HA2 0.642 4.602 3.960 -0.000 0.000 0.290 429 G HA3 0.642 4.602 3.960 -0.000 0.000 0.290 429 G C -3.051 171.962 174.900 0.188 0.000 1.426 429 G CA -1.176 43.789 45.100 -0.225 0.000 0.794 429 G HN 0.301 nan 8.290 nan 0.000 0.483 430 P HA 0.333 nan 4.420 nan 0.000 0.278 430 P C -0.888 176.636 177.300 0.373 0.000 1.266 430 P CA -0.415 62.813 63.100 0.213 0.000 0.807 430 P CB 1.186 32.930 31.700 0.073 0.000 1.094 431 D N -0.689 119.863 120.400 0.254 0.000 2.455 431 D HA 0.457 5.097 4.640 -0.000 0.000 0.241 431 D C 1.014 177.471 176.300 0.262 0.000 1.138 431 D CA 1.531 55.734 54.000 0.339 0.000 0.877 431 D CB 0.095 41.077 40.800 0.303 0.000 1.187 431 D HN 0.709 nan 8.370 nan 0.000 0.451 432 G N -0.265 108.714 108.800 0.297 0.000 2.332 432 G HA2 0.167 4.127 3.960 -0.000 0.000 0.265 432 G HA3 0.167 4.127 3.960 -0.000 0.000 0.265 432 G C -1.562 173.312 174.900 -0.044 0.000 1.329 432 G CA -0.330 44.769 45.100 -0.001 0.000 0.949 432 G HN 0.635 nan 8.290 nan 0.000 0.476 433 V N 0.253 119.957 119.914 -0.350 0.000 2.435 433 V HA 0.847 4.966 4.120 -0.000 0.000 0.290 433 V C -1.179 174.688 176.094 -0.378 0.000 1.030 433 V CA -0.803 61.342 62.300 -0.259 0.000 0.881 433 V CB 0.900 32.484 31.823 -0.398 0.000 0.983 433 V HN 0.761 nan 8.190 nan 0.000 0.445 434 Y N 3.867 124.086 120.300 -0.136 0.000 2.509 434 Y HA 0.889 5.439 4.550 0.000 0.000 0.341 434 Y C 0.670 176.419 175.900 -0.252 0.000 1.038 434 Y CA -0.091 57.859 58.100 -0.250 0.000 1.089 434 Y CB 2.599 40.866 38.460 -0.321 0.000 1.241 434 Y HN 0.884 nan 8.280 nan 0.000 0.468 435 G N 1.115 109.633 108.800 -0.470 0.000 2.690 435 G HA2 0.716 4.676 3.960 -0.000 0.000 0.293 435 G HA3 0.716 4.676 3.960 -0.000 0.000 0.293 435 G C -2.222 172.028 174.900 -1.083 0.000 1.399 435 G CA -0.722 44.093 45.100 -0.476 0.000 0.890 435 G HN 0.297 nan 8.290 nan 0.000 0.485 436 F N -0.358 119.338 119.950 -0.424 0.000 2.591 436 F HA 0.675 5.202 4.527 -0.000 0.000 0.309 436 F C -0.191 175.417 175.800 -0.320 0.000 1.098 436 F CA -1.025 56.763 58.000 -0.354 0.000 0.937 436 F CB 2.436 41.153 39.000 -0.471 0.000 1.250 436 F HN 0.446 nan 8.300 nan 0.000 0.447 437 V N 1.595 121.504 119.914 -0.008 0.000 2.823 437 V HA 1.018 5.138 4.120 -0.000 0.000 0.312 437 V C -0.552 175.610 176.094 0.115 0.000 1.072 437 V CA -0.037 62.147 62.300 -0.194 0.000 0.937 437 V CB 1.660 33.170 31.823 -0.522 0.000 1.013 437 V HN 1.039 nan 8.190 nan 0.000 0.430 438 G N 3.218 112.052 108.800 0.056 0.000 2.606 438 G HA2 0.387 4.347 3.960 -0.000 0.000 0.300 438 G HA3 0.387 4.347 3.960 -0.000 0.000 0.300 438 G C -0.806 174.046 174.900 -0.080 0.000 1.360 438 G CA -0.079 44.951 45.100 -0.117 0.000 0.783 438 G HN 0.510 nan 8.290 nan 0.000 0.484 439 D N -0.474 119.821 120.400 -0.174 0.000 2.339 439 D HA 0.327 4.967 4.640 -0.000 0.000 0.217 439 D C 1.048 177.211 176.300 -0.228 0.000 1.050 439 D CA 1.171 55.117 54.000 -0.090 0.000 0.856 439 D CB 1.053 41.767 40.800 -0.144 0.000 0.922 439 D HN 0.679 nan 8.370 nan 0.000 0.518 440 G N -0.812 107.662 108.800 -0.542 0.000 2.645 440 G HA2 0.332 4.292 3.960 -0.000 0.000 0.292 440 G HA3 0.332 4.292 3.960 -0.000 0.000 0.292 440 G C 0.539 174.934 174.900 -0.841 0.000 1.415 440 G CA -0.713 43.761 45.100 -1.044 0.000 0.785 440 G HN -0.026 nan 8.290 nan 0.000 0.483 441 I N -0.520 119.655 120.570 -0.658 0.000 2.226 441 I HA -0.010 4.160 4.170 -0.000 0.000 0.245 441 I C 1.699 177.865 176.117 0.082 0.000 1.100 441 I CA 1.087 62.313 61.300 -0.124 0.000 1.374 441 I CB 0.139 38.084 38.000 -0.091 0.000 1.057 441 I HN 0.345 nan 8.210 nan 0.000 0.413 442 R N 1.399 121.854 120.500 -0.076 0.000 2.272 442 R HA 0.362 4.702 4.340 -0.000 0.000 0.323 442 R C -0.876 175.299 176.300 -0.209 0.000 1.002 442 R CA -0.251 55.850 56.100 0.001 0.000 0.900 442 R CB 0.874 31.210 30.300 0.060 0.000 1.151 442 R HN 0.115 nan 8.270 nan 0.000 0.507 443 S N 1.641 116.940 115.700 -0.668 0.000 2.740 443 S HA 0.215 4.685 4.470 -0.000 0.000 0.300 443 S C -0.684 173.651 174.600 -0.442 0.000 1.147 443 S CA -1.044 56.748 58.200 -0.680 0.000 0.871 443 S CB 1.439 64.087 63.200 -0.921 0.000 1.173 443 S HN 0.570 nan 8.310 nan 0.000 0.510 444 D N 0.756 121.024 120.400 -0.219 0.000 2.600 444 D HA 0.238 4.878 4.640 -0.000 0.000 0.226 444 D C -0.945 175.389 176.300 0.058 0.000 1.119 444 D CA -0.466 53.610 54.000 0.127 0.000 1.051 444 D CB -1.225 39.666 40.800 0.152 0.000 1.106 444 D HN 0.346 nan 8.370 nan 0.000 0.491 445 F N 1.258 121.272 119.950 0.106 0.000 2.602 445 F HA 0.044 4.571 4.527 -0.000 0.000 0.367 445 F C 1.272 176.988 175.800 -0.141 0.000 1.126 445 F CA -0.030 57.959 58.000 -0.018 0.000 1.321 445 F CB 0.629 39.598 39.000 -0.052 0.000 1.094 445 F HN 0.133 nan 8.300 nan 0.000 0.594 446 Q N 5.915 125.787 119.800 0.120 0.000 2.340 446 Q HA 0.384 4.724 4.340 -0.000 0.000 0.259 446 Q C -2.746 173.248 176.000 -0.011 0.000 0.964 446 Q CA -2.429 53.367 55.803 -0.012 0.000 0.900 446 Q CB 1.432 30.203 28.738 0.056 0.000 1.228 446 Q HN 0.102 nan 8.270 nan 0.000 0.449 447 P HA -0.001 nan 4.420 nan 0.000 0.268 447 P C -0.760 176.391 177.300 -0.248 0.000 1.204 447 P CA -0.119 62.779 63.100 -0.336 0.000 0.768 447 P CB 0.506 32.094 31.700 -0.187 0.000 0.842 448 M N 3.015 122.390 119.600 -0.375 0.000 2.240 448 M HA 0.116 4.596 4.480 -0.000 0.000 0.333 448 M C -0.125 176.063 176.300 -0.187 0.000 1.110 448 M CA 0.700 55.869 55.300 -0.219 0.000 1.173 448 M CB -0.786 31.687 32.600 -0.213 0.000 1.458 448 M HN 0.355 nan 8.290 nan 0.000 0.458 449 N N 3.355 121.929 118.700 -0.210 0.000 2.402 449 N HA -0.234 4.506 4.740 -0.000 0.000 0.292 449 N C -1.233 174.120 175.510 -0.261 0.000 1.488 449 N CA 1.113 53.945 53.050 -0.365 0.000 0.667 449 N CB -1.295 36.998 38.487 -0.324 0.000 0.954 449 N HN 0.828 nan 8.380 nan 0.000 0.478 450 Y N -1.509 118.710 120.300 -0.136 0.000 4.409 450 Y HA -0.268 4.282 4.550 -0.000 0.000 0.228 450 Y C 1.585 177.491 175.900 0.011 0.000 1.108 450 Y CA 1.120 59.145 58.100 -0.125 0.000 1.955 450 Y CB -1.878 36.330 38.460 -0.420 0.000 1.615 450 Y HN 1.058 nan 8.280 nan 0.000 0.665 451 G N -0.422 108.445 108.800 0.110 0.000 2.233 451 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.270 451 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.270 451 G C 0.960 175.987 174.900 0.211 0.000 1.011 451 G CA 1.138 46.332 45.100 0.157 0.000 0.762 451 G HN 1.170 nan 8.290 nan 0.000 0.511 452 S N -1.849 113.960 115.700 0.182 0.000 2.456 452 S HA 0.420 4.890 4.470 -0.000 0.000 0.224 452 S C 2.307 177.102 174.600 0.325 0.000 1.035 452 S CA 1.531 59.904 58.200 0.287 0.000 0.940 452 S CB 0.290 63.641 63.200 0.252 0.000 0.799 452 S HN 2.301 nan 8.310 nan 0.000 0.508 453 G N 0.615 109.387 108.800 -0.047 0.000 2.254 453 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.225 453 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.225 453 G C -0.122 174.629 174.900 -0.248 0.000 1.003 453 G CA 0.030 44.852 45.100 -0.463 0.000 0.622 453 G HN 0.715 nan 8.290 nan 0.000 0.507 454 L N 2.672 123.849 121.223 -0.076 0.000 2.418 454 L HA 0.701 5.041 4.340 -0.000 0.000 0.274 454 L C 1.354 178.011 176.870 -0.354 0.000 1.135 454 L CA 1.670 56.283 54.840 -0.379 0.000 0.870 454 L CB 1.094 43.028 42.059 -0.209 0.000 1.154 454 L HN 0.138 nan 8.230 nan 0.000 0.462 455 T N 4.463 118.750 114.554 -0.445 0.000 3.045 455 T HA 0.276 4.626 4.350 -0.000 0.000 0.239 455 T C 0.309 174.792 174.700 -0.361 0.000 1.008 455 T CA 0.364 62.264 62.100 -0.334 0.000 1.143 455 T CB 0.079 68.787 68.868 -0.266 0.000 0.894 455 T HN 0.566 nan 8.240 nan 0.000 0.451 456 M N 1.014 120.351 119.600 -0.439 0.000 2.294 456 M HA 0.551 5.031 4.480 -0.000 0.000 0.280 456 M C -1.795 174.256 176.300 -0.415 0.000 1.085 456 M CA -0.509 54.554 55.300 -0.396 0.000 0.969 456 M CB 1.777 34.122 32.600 -0.426 0.000 1.770 456 M HN 0.275 nan 8.290 nan 0.000 0.485 457 G N 2.535 111.162 108.800 -0.289 0.000 2.473 457 G HA2 0.488 4.448 3.960 -0.000 0.000 0.321 457 G HA3 0.488 4.448 3.960 -0.000 0.000 0.321 457 G C -0.957 173.864 174.900 -0.131 0.000 1.200 457 G CA -0.652 44.326 45.100 -0.202 0.000 0.963 457 G HN 0.706 nan 8.290 nan 0.000 0.483 458 N N 1.033 119.694 118.700 -0.065 0.000 2.416 458 N HA 0.175 4.915 4.740 -0.000 0.000 0.246 458 N C -2.310 173.162 175.510 -0.063 0.000 1.260 458 N CA -0.885 52.141 53.050 -0.041 0.000 0.897 458 N CB 0.782 39.256 38.487 -0.021 0.000 1.110 458 N HN 0.197 nan 8.380 nan 0.000 0.439 459 P HA 0.076 nan 4.420 nan 0.000 0.269 459 P C -0.815 176.442 177.300 -0.073 0.000 1.252 459 P CA 0.208 63.276 63.100 -0.054 0.000 0.780 459 P CB 0.054 31.733 31.700 -0.035 0.000 0.829 460 T N 2.044 116.555 114.554 -0.072 0.000 2.893 460 T HA 0.247 4.597 4.350 -0.000 0.000 0.293 460 T C -0.818 173.847 174.700 -0.058 0.000 1.027 460 T CA -0.457 61.590 62.100 -0.087 0.000 0.988 460 T CB 1.548 70.359 68.868 -0.095 0.000 1.043 460 T HN 0.230 nan 8.240 nan 0.000 0.461 461 D N 2.417 122.785 120.400 -0.053 0.000 2.428 461 D HA 0.233 4.873 4.640 -0.000 0.000 0.221 461 D C 0.860 177.141 176.300 -0.032 0.000 1.123 461 D CA -0.562 53.417 54.000 -0.035 0.000 0.869 461 D CB 0.512 41.297 40.800 -0.025 0.000 1.032 461 D HN 0.429 nan 8.370 nan 0.000 0.506 462 L N 3.011 124.217 121.223 -0.029 0.000 2.610 462 L HA 0.023 4.363 4.340 -0.000 0.000 0.232 462 L C 1.122 177.983 176.870 -0.014 0.000 1.149 462 L CA 0.336 55.160 54.840 -0.026 0.000 0.872 462 L CB -0.303 41.737 42.059 -0.031 0.000 0.992 462 L HN 0.281 nan 8.230 nan 0.000 0.447 463 N N -0.818 117.876 118.700 -0.010 0.000 2.467 463 N HA -0.037 4.703 4.740 -0.000 0.000 0.184 463 N C 0.594 176.103 175.510 -0.002 0.000 1.106 463 N CA 0.520 53.569 53.050 -0.002 0.000 0.892 463 N CB 0.293 38.779 38.487 -0.001 0.000 0.969 463 N HN 0.322 nan 8.380 nan 0.000 0.454 464 T N -2.986 111.565 114.554 -0.005 0.000 2.907 464 T HA 0.732 5.082 4.350 -0.000 0.000 0.290 464 T C -0.274 174.427 174.700 0.002 0.000 1.066 464 T CA -1.165 60.934 62.100 -0.001 0.000 1.012 464 T CB 1.734 70.601 68.868 -0.002 0.000 1.184 464 T HN -0.008 nan 8.240 nan 0.000 0.522 465 A N 0.506 123.330 122.820 0.008 0.000 2.483 465 A HA 0.610 4.930 4.320 -0.000 0.000 0.238 465 A C 1.715 179.315 177.584 0.028 0.000 1.070 465 A CA 0.007 52.053 52.037 0.016 0.000 0.770 465 A CB -0.575 18.433 19.000 0.014 0.000 1.008 465 A HN 1.497 nan 8.150 nan 0.000 0.497 466 A N 2.346 125.193 122.820 0.046 0.000 1.930 466 A HA 0.406 4.726 4.320 -0.000 0.000 0.217 466 A C 1.864 179.564 177.584 0.193 0.000 1.175 466 A CA 1.793 53.885 52.037 0.091 0.000 0.627 466 A CB -1.330 17.744 19.000 0.123 0.000 0.815 466 A HN 2.883 nan 8.150 nan 0.000 0.443 467 G N -1.496 107.367 108.800 0.105 0.000 2.740 467 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.250 467 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.250 467 G C 0.150 175.018 174.900 -0.054 0.000 1.358 467 G CA 0.550 45.672 45.100 0.036 0.000 0.897 467 G HN 1.719 nan 8.290 nan 0.000 0.567 468 T N -3.076 111.216 114.554 -0.436 0.000 2.924 468 T HA 0.591 4.941 4.350 -0.000 0.000 0.291 468 T C 1.185 175.125 174.700 -1.266 0.000 1.045 468 T CA 0.598 62.108 62.100 -0.985 0.000 1.015 468 T CB 1.933 69.944 68.868 -1.429 0.000 1.103 468 T HN 1.071 nan 8.240 nan 0.000 0.496 469 D N 1.357 120.692 120.400 -1.775 0.000 2.191 469 D HA -0.237 4.403 4.640 -0.000 0.000 0.195 469 D C 1.306 177.370 176.300 -0.393 0.000 1.003 469 D CA 1.752 55.134 54.000 -1.030 0.000 0.867 469 D CB -0.801 39.619 40.800 -0.634 0.000 0.926 469 D HN 0.729 nan 8.370 nan 0.000 0.450 470 F N -1.143 118.651 119.950 -0.259 0.000 2.776 470 F HA 0.394 4.921 4.527 -0.000 0.000 0.300 470 F C 0.073 175.821 175.800 -0.086 0.000 1.116 470 F CA -0.529 57.398 58.000 -0.121 0.000 1.375 470 F CB 0.070 39.010 39.000 -0.100 0.000 1.109 470 F HN -0.207 nan 8.300 nan 0.000 0.585 471 D N 1.685 121.887 120.400 -0.329 0.000 3.118 471 D HA 0.232 4.872 4.640 -0.000 0.000 0.286 471 D C -2.836 173.374 176.300 -0.150 0.000 1.255 471 D CA -1.645 52.269 54.000 -0.143 0.000 0.748 471 D CB 0.755 41.490 40.800 -0.108 0.000 1.332 471 D HN -0.075 nan 8.370 nan 0.000 0.575 472 P HA 0.098 nan 4.420 nan 0.000 0.271 472 P C 0.081 177.395 177.300 0.023 0.000 1.220 472 P CA -0.215 62.891 63.100 0.010 0.000 0.768 472 P CB 1.451 33.193 31.700 0.071 0.000 0.848 473 S N 4.527 120.251 115.700 0.039 0.000 2.562 473 S HA 0.146 4.616 4.470 -0.000 0.000 0.281 473 S C -0.940 173.679 174.600 0.031 0.000 1.333 473 S CA -1.015 57.202 58.200 0.028 0.000 1.052 473 S CB -0.051 63.166 63.200 0.028 0.000 0.884 473 S HN 0.341 nan 8.310 nan 0.000 0.506 474 P HA 0.002 nan 4.420 nan 0.000 0.220 474 P C -0.085 177.226 177.300 0.018 0.000 1.148 474 P CA 0.942 64.054 63.100 0.021 0.000 0.803 474 P CB -0.040 31.669 31.700 0.016 0.000 0.782 475 D N -0.593 119.817 120.400 0.015 0.000 2.460 475 D HA 0.125 4.765 4.640 -0.000 0.000 0.229 475 D C 0.418 176.722 176.300 0.008 0.000 1.170 475 D CA 0.438 54.444 54.000 0.010 0.000 0.827 475 D CB -0.057 40.747 40.800 0.007 0.000 0.973 475 D HN 0.195 nan 8.370 nan 0.000 0.496 476 Q N 0.835 120.642 119.800 0.013 0.000 2.375 476 Q HA 0.214 4.554 4.340 -0.000 0.000 0.271 476 Q C -0.536 175.466 176.000 0.003 0.000 1.074 476 Q CA -0.819 54.986 55.803 0.003 0.000 0.808 476 Q CB 1.218 29.966 28.738 0.016 0.000 1.327 476 Q HN -0.133 nan 8.270 nan 0.000 0.441 477 N N 4.401 123.088 118.700 -0.020 0.000 2.294 477 N HA -0.038 4.702 4.740 -0.000 0.000 0.263 477 N C -1.755 173.754 175.510 -0.003 0.000 1.281 477 N CA -0.329 52.710 53.050 -0.019 0.000 0.846 477 N CB 0.890 39.352 38.487 -0.042 0.000 1.061 477 N HN 0.520 nan 8.380 nan 0.000 0.478 478 P HA 0.046 nan 4.420 nan 0.000 0.245 478 P C 0.184 177.528 177.300 0.073 0.000 1.212 478 P CA 0.690 63.827 63.100 0.062 0.000 0.774 478 P CB 0.310 32.045 31.700 0.059 0.000 0.999 479 R N -0.885 119.635 120.500 0.033 0.000 2.565 479 R HA 0.364 4.704 4.340 -0.000 0.000 0.347 479 R C 1.786 178.067 176.300 -0.032 0.000 1.010 479 R CA 0.079 56.198 56.100 0.033 0.000 1.126 479 R CB 0.149 30.469 30.300 0.032 0.000 1.331 479 R HN -0.004 nan 8.270 nan 0.000 0.552 480 A N 0.477 123.216 122.820 -0.135 0.000 2.076 480 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 480 A C 0.941 178.210 177.584 -0.524 0.000 1.160 480 A CA 1.190 53.001 52.037 -0.377 0.000 0.653 480 A CB -0.226 18.418 19.000 -0.593 0.000 0.801 480 A HN 0.275 nan 8.150 nan 0.000 0.455 481 F N -0.730 119.245 119.950 0.042 0.000 2.805 481 F HA 0.152 4.679 4.527 -0.000 0.000 0.317 481 F C 1.860 177.678 175.800 0.030 0.000 1.146 481 F CA 0.024 58.050 58.000 0.043 0.000 1.265 481 F CB 0.093 39.103 39.000 0.017 0.000 0.992 481 F HN 0.397 nan 8.300 nan 0.000 0.511 482 Q N 0.805 120.683 119.800 0.130 0.000 2.167 482 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 482 Q C 0.439 176.441 176.000 0.002 0.000 0.970 482 Q CA 1.292 57.140 55.803 0.074 0.000 0.855 482 Q CB 0.026 28.795 28.738 0.053 0.000 0.911 482 Q HN 0.330 nan 8.270 nan 0.000 0.438 483 S N -1.655 114.049 115.700 0.007 0.000 2.564 483 S HA 0.647 5.117 4.470 -0.000 0.000 0.274 483 S C -1.426 173.095 174.600 -0.132 0.000 1.124 483 S CA -0.890 57.219 58.200 -0.151 0.000 0.869 483 S CB 1.758 64.891 63.200 -0.112 0.000 1.105 483 S HN 0.353 nan 8.310 nan 0.000 0.472 484 Y N 0.873 120.724 120.300 -0.750 0.000 2.689 484 Y HA 0.646 5.196 4.550 -0.000 0.000 0.333 484 Y C 0.556 176.076 175.900 -0.635 0.000 1.190 484 Y CA 0.068 57.817 58.100 -0.586 0.000 1.063 484 Y CB 1.707 39.950 38.460 -0.362 0.000 1.294 484 Y HN 1.382 nan 8.280 nan 0.000 0.466 485 S N 2.028 117.229 115.700 -0.833 0.000 3.698 485 S HA -0.188 4.282 4.470 -0.000 0.000 0.338 485 S C -0.586 173.921 174.600 -0.155 0.000 1.089 485 S CA 0.639 58.685 58.200 -0.257 0.000 0.991 485 S CB -2.016 61.415 63.200 0.385 0.000 0.909 485 S HN 0.744 nan 8.310 nan 0.000 0.485 486 H N 0.012 118.964 119.070 -0.196 0.000 2.929 486 H HA 0.291 4.847 4.556 -0.000 0.000 0.358 486 H C -0.038 175.291 175.328 0.003 0.000 1.111 486 H CA 1.171 57.158 56.048 -0.102 0.000 1.409 486 H CB 0.331 29.971 29.762 -0.202 0.000 1.373 486 H HN 0.550 nan 8.280 nan 0.000 0.610 487 Y N 0.836 121.140 120.300 0.007 0.000 2.399 487 Y HA 0.225 4.775 4.550 -0.000 0.000 0.327 487 Y C -1.483 174.365 175.900 -0.086 0.000 1.111 487 Y CA -0.676 57.417 58.100 -0.012 0.000 1.047 487 Y CB 1.012 39.525 38.460 0.088 0.000 1.259 487 Y HN 0.322 nan 8.280 nan 0.000 0.434 488 V N 7.700 127.186 119.914 -0.713 0.000 2.385 488 V HA 0.334 4.454 4.120 -0.000 0.000 0.269 488 V C 0.236 176.066 176.094 -0.441 0.000 1.043 488 V CA -0.205 61.709 62.300 -0.644 0.000 0.906 488 V CB 0.735 31.925 31.823 -1.055 0.000 0.995 488 V HN 0.820 nan 8.190 nan 0.000 0.467 489 M N 6.095 125.653 119.600 -0.070 0.000 2.369 489 M HA 0.454 4.934 4.480 -0.000 0.000 0.291 489 M C -2.427 174.001 176.300 0.214 0.000 1.178 489 M CA -1.843 53.578 55.300 0.202 0.000 0.996 489 M CB 0.644 33.397 32.600 0.255 0.000 1.472 489 M HN 0.269 nan 8.290 nan 0.000 0.496 490 P HA 0.055 nan 4.420 nan 0.000 0.265 490 P C 0.559 177.938 177.300 0.132 0.000 1.193 490 P CA 0.938 64.174 63.100 0.227 0.000 0.765 490 P CB 0.336 32.131 31.700 0.158 0.000 0.823 491 G N 2.472 111.341 108.800 0.116 0.000 2.176 491 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.253 491 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.253 491 G C 0.820 175.653 174.900 -0.111 0.000 0.979 491 G CA 0.306 45.413 45.100 0.011 0.000 0.641 491 G HN 1.038 nan 8.290 nan 0.000 0.530 492 G N -0.795 107.917 108.800 -0.146 0.000 2.160 492 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.251 492 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.251 492 G C 0.439 175.115 174.900 -0.374 0.000 1.008 492 G CA 0.531 45.397 45.100 -0.389 0.000 0.724 492 G HN 1.426 nan 8.290 nan 0.000 0.514 493 L N 0.046 121.113 121.223 -0.260 0.000 2.453 493 L HA 0.439 4.779 4.340 -0.000 0.000 0.272 493 L C 0.512 177.263 176.870 -0.199 0.000 1.182 493 L CA -0.396 54.293 54.840 -0.251 0.000 0.858 493 L CB 1.199 43.196 42.059 -0.104 0.000 1.120 493 L HN -0.033 nan 8.230 nan 0.000 0.474 494 V N 2.351 122.154 119.914 -0.185 0.000 2.407 494 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 494 V C -0.258 175.846 176.094 0.017 0.000 1.018 494 V CA -0.735 61.500 62.300 -0.109 0.000 0.842 494 V CB 1.641 33.351 31.823 -0.188 0.000 0.996 494 V HN 0.840 nan 8.190 nan 0.000 0.426 495 E N 4.075 124.329 120.200 0.090 0.000 2.212 495 E HA 0.898 5.248 4.350 -0.000 0.000 0.270 495 E C -0.327 176.312 176.600 0.065 0.000 0.956 495 E CA -0.577 55.883 56.400 0.100 0.000 0.825 495 E CB 2.142 31.926 29.700 0.140 0.000 1.167 495 E HN 0.724 nan 8.360 nan 0.000 0.400 496 S N 0.436 116.136 115.700 -0.001 0.000 2.636 496 S HA 0.658 5.128 4.470 -0.000 0.000 0.266 496 S C -1.257 173.334 174.600 -0.015 0.000 1.147 496 S CA -1.111 56.992 58.200 -0.161 0.000 0.815 496 S CB 0.073 62.881 63.200 -0.653 0.000 1.119 496 S HN 0.907 nan 8.310 nan 0.000 0.470 497 F N 0.034 119.934 119.950 -0.084 0.000 2.538 497 F HA 0.844 5.371 4.527 -0.000 0.000 0.325 497 F C -0.675 175.119 175.800 -0.009 0.000 1.066 497 F CA -1.495 56.505 58.000 0.002 0.000 0.946 497 F CB 0.701 39.772 39.000 0.117 0.000 1.199 497 F HN 0.597 nan 8.300 nan 0.000 0.473 498 I N 3.043 123.661 120.570 0.081 0.000 2.471 498 I HA 0.080 4.250 4.170 -0.000 0.000 0.286 498 I C 0.234 176.420 176.117 0.115 0.000 1.079 498 I CA 0.190 61.431 61.300 -0.099 0.000 1.398 498 I CB 0.791 38.518 38.000 -0.456 0.000 1.403 498 I HN 0.789 nan 8.210 nan 0.000 0.530 499 D N 4.016 124.444 120.400 0.046 0.000 2.648 499 D HA 0.052 4.692 4.640 -0.000 0.000 0.261 499 D C 0.121 176.496 176.300 0.124 0.000 1.261 499 D CA 0.954 55.086 54.000 0.219 0.000 1.011 499 D CB 0.633 41.564 40.800 0.219 0.000 1.092 499 D HN 0.435 nan 8.370 nan 0.000 0.417 500 T N 0.749 115.390 114.554 0.145 0.000 2.847 500 T HA 0.554 4.904 4.350 -0.000 0.000 0.291 500 T C -0.885 173.918 174.700 0.171 0.000 0.998 500 T CA -0.586 61.606 62.100 0.154 0.000 0.967 500 T CB 2.104 71.071 68.868 0.164 0.000 0.954 500 T HN -0.100 nan 8.240 nan 0.000 0.441 501 V N 3.901 123.934 119.914 0.198 0.000 2.350 501 V HA 0.359 4.479 4.120 -0.000 0.000 0.285 501 V C 0.266 176.464 176.094 0.173 0.000 1.014 501 V CA -0.893 61.529 62.300 0.203 0.000 0.831 501 V CB 0.980 32.974 31.823 0.285 0.000 1.000 501 V HN 1.035 nan 8.190 nan 0.000 0.433 502 E N 4.014 124.291 120.200 0.128 0.000 2.246 502 E HA -0.264 4.086 4.350 -0.000 0.000 0.173 502 E C 0.134 176.783 176.600 0.082 0.000 1.532 502 E CA 0.443 56.899 56.400 0.093 0.000 0.672 502 E CB -0.980 28.767 29.700 0.077 0.000 1.078 502 E HN 0.922 nan 8.360 nan 0.000 0.338 503 N N 0.630 119.380 118.700 0.084 0.000 2.714 503 N HA -0.212 4.528 4.740 -0.000 0.000 0.253 503 N C -0.988 174.558 175.510 0.060 0.000 1.024 503 N CA 1.325 54.415 53.050 0.066 0.000 0.726 503 N CB -0.183 38.334 38.487 0.049 0.000 0.908 503 N HN 0.401 nan 8.380 nan 0.000 0.542 504 R N 0.774 121.324 120.500 0.084 0.000 2.603 504 R HA 0.207 4.547 4.340 -0.000 0.000 0.280 504 R C -0.833 175.545 176.300 0.130 0.000 1.185 504 R CA -0.605 55.545 56.100 0.082 0.000 1.039 504 R CB 0.782 31.122 30.300 0.065 0.000 1.247 504 R HN 0.068 nan 8.270 nan 0.000 0.413 505 R N 0.658 121.181 120.500 0.039 0.000 2.583 505 R HA 0.653 4.993 4.340 -0.000 0.000 0.268 505 R C 0.363 176.648 176.300 -0.025 0.000 1.101 505 R CA -0.712 55.327 56.100 -0.101 0.000 1.180 505 R CB 0.974 31.051 30.300 -0.373 0.000 1.128 505 R HN 0.724 nan 8.270 nan 0.000 0.568 506 G N -1.285 107.379 108.800 -0.227 0.000 2.684 506 G HA2 0.424 4.384 3.960 -0.000 0.000 0.289 506 G HA3 0.424 4.384 3.960 -0.000 0.000 0.289 506 G C -0.669 174.116 174.900 -0.192 0.000 1.416 506 G CA -0.597 44.468 45.100 -0.058 0.000 1.235 506 G HN 0.573 nan 8.290 nan 0.000 0.576 507 G N 0.476 109.223 108.800 -0.087 0.000 3.515 507 G HA2 0.515 4.475 3.960 -0.000 0.000 0.288 507 G HA3 0.515 4.475 3.960 -0.000 0.000 0.288 507 G C -0.116 174.929 174.900 0.242 0.000 1.012 507 G CA 0.177 45.391 45.100 0.191 0.000 1.689 507 G HN 0.792 nan 8.290 nan 0.000 0.572 508 T N 0.557 115.214 114.554 0.172 0.000 2.802 508 T HA 0.458 4.808 4.350 -0.000 0.000 0.311 508 T C -1.159 173.608 174.700 0.110 0.000 1.405 508 T CA -0.582 61.578 62.100 0.100 0.000 1.016 508 T CB 1.160 70.088 68.868 0.100 0.000 1.352 508 T HN 0.018 nan 8.240 nan 0.000 0.498 509 L N 2.685 123.951 121.223 0.072 0.000 2.397 509 L HA 0.683 5.023 4.340 -0.000 0.000 0.271 509 L C 0.978 177.947 176.870 0.164 0.000 1.148 509 L CA 0.030 54.936 54.840 0.110 0.000 0.825 509 L CB 0.407 42.504 42.059 0.063 0.000 1.117 509 L HN 0.876 nan 8.230 nan 0.000 0.456 510 A N 5.413 128.299 122.820 0.110 0.000 2.287 510 A HA 0.681 5.001 4.320 -0.000 0.000 0.273 510 A C -2.306 175.287 177.584 0.015 0.000 1.091 510 A CA -1.369 50.707 52.037 0.066 0.000 0.817 510 A CB -0.363 18.618 19.000 -0.031 0.000 1.069 510 A HN 0.600 nan 8.150 nan 0.000 0.492 511 P HA 0.118 nan 4.420 nan 0.000 0.264 511 P C -0.222 177.027 177.300 -0.084 0.000 1.193 511 P CA 0.423 63.311 63.100 -0.353 0.000 0.763 511 P CB 0.171 31.589 31.700 -0.470 0.000 0.810 512 T N 2.592 117.148 114.554 0.005 0.000 2.916 512 T HA 0.330 4.680 4.350 -0.000 0.000 0.303 512 T C 0.501 175.284 174.700 0.139 0.000 1.025 512 T CA -0.048 62.103 62.100 0.086 0.000 1.142 512 T CB 0.049 69.009 68.868 0.153 0.000 0.947 512 T HN 0.297 nan 8.240 nan 0.000 0.544 513 V N 1.568 121.499 119.914 0.028 0.000 3.155 513 V HA 0.820 4.940 4.120 -0.000 0.000 0.313 513 V C -0.586 175.304 176.094 -0.339 0.000 1.162 513 V CA -1.438 60.841 62.300 -0.035 0.000 1.048 513 V CB 2.181 33.976 31.823 -0.046 0.000 1.092 513 V HN 0.797 nan 8.190 nan 0.000 0.447 514 R N 0.496 120.725 120.500 -0.451 0.000 2.628 514 R HA 0.759 5.099 4.340 -0.000 0.000 0.288 514 R C -1.569 174.514 176.300 -0.362 0.000 0.980 514 R CA -0.450 55.312 56.100 -0.563 0.000 0.891 514 R CB 2.178 31.926 30.300 -0.919 0.000 1.188 514 R HN 1.259 nan 8.270 nan 0.000 0.450 515 V N 2.904 122.593 119.914 -0.375 0.000 2.409 515 V HA 0.563 4.683 4.120 -0.000 0.000 0.291 515 V C -0.280 175.622 176.094 -0.320 0.000 1.020 515 V CA -0.903 61.195 62.300 -0.336 0.000 0.848 515 V CB 1.469 33.057 31.823 -0.392 0.000 0.990 515 V HN 0.739 nan 8.190 nan 0.000 0.430 516 R N 5.208 125.569 120.500 -0.232 0.000 2.442 516 R HA 0.525 4.865 4.340 -0.000 0.000 0.291 516 R C -0.709 175.473 176.300 -0.197 0.000 1.069 516 R CA -0.066 55.922 56.100 -0.186 0.000 1.022 516 R CB 1.016 31.250 30.300 -0.109 0.000 0.976 516 R HN 0.770 nan 8.270 nan 0.000 0.443 517 I N 1.769 122.214 120.570 -0.209 0.000 2.436 517 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 517 I C -0.422 175.717 176.117 0.037 0.000 1.010 517 I CA -0.520 60.669 61.300 -0.185 0.000 1.098 517 I CB 2.041 39.777 38.000 -0.440 0.000 1.266 517 I HN 0.602 nan 8.210 nan 0.000 0.434 518 A N 5.821 128.685 122.820 0.073 0.000 2.476 518 A HA 0.607 4.927 4.320 -0.000 0.000 0.280 518 A C -0.049 177.617 177.584 0.137 0.000 1.081 518 A CA -0.343 51.769 52.037 0.124 0.000 0.753 518 A CB 1.227 20.259 19.000 0.054 0.000 1.248 518 A HN 0.688 nan 8.150 nan 0.000 0.424 519 Q N 0.996 120.920 119.800 0.208 0.000 1.786 519 Q HA -0.269 4.071 4.340 -0.000 0.000 0.369 519 Q C 0.507 176.605 176.000 0.163 0.000 0.796 519 Q CA 2.024 57.918 55.803 0.151 0.000 0.877 519 Q CB -0.910 27.866 28.738 0.063 0.000 3.276 519 Q HN 1.206 nan 8.270 nan 0.000 0.718 520 N N 1.620 120.357 118.700 0.061 0.000 2.276 520 N HA 0.427 5.167 4.740 -0.000 0.000 0.212 520 N C -0.181 175.313 175.510 -0.026 0.000 1.127 520 N CA 0.753 53.819 53.050 0.027 0.000 0.834 520 N CB 0.668 39.149 38.487 -0.010 0.000 1.014 520 N HN 0.528 nan 8.380 nan 0.000 0.491 521 A N 0.071 122.879 122.820 -0.020 0.000 2.515 521 A HA 0.792 5.112 4.320 -0.000 0.000 0.296 521 A C -0.546 176.986 177.584 -0.086 0.000 1.094 521 A CA -0.495 51.475 52.037 -0.111 0.000 0.718 521 A CB 1.522 20.426 19.000 -0.161 0.000 1.307 521 A HN 0.329 nan 8.150 nan 0.000 0.408 522 S N -0.708 114.905 115.700 -0.145 0.000 2.607 522 S HA 0.921 5.391 4.470 -0.000 0.000 0.273 522 S C -0.714 173.787 174.600 -0.165 0.000 1.148 522 S CA -0.123 57.985 58.200 -0.154 0.000 0.833 522 S CB 1.647 64.736 63.200 -0.185 0.000 1.130 522 S HN 2.444 nan 8.310 nan 0.000 0.470 523 A N 1.005 123.728 122.820 -0.161 0.000 2.488 523 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 523 A C -0.734 176.759 177.584 -0.152 0.000 1.044 523 A CA -0.732 51.221 52.037 -0.141 0.000 0.693 523 A CB 1.421 20.358 19.000 -0.104 0.000 1.272 523 A HN 1.165 nan 8.150 nan 0.000 0.402 524 V N 2.496 122.324 119.914 -0.144 0.000 2.540 524 V HA 0.036 4.156 4.120 -0.000 0.000 0.297 524 V C 0.329 176.364 176.094 -0.099 0.000 1.024 524 V CA 0.418 62.635 62.300 -0.139 0.000 1.105 524 V CB 0.785 32.539 31.823 -0.116 0.000 0.938 524 V HN 0.858 nan 8.190 nan 0.000 0.482 525 D N 4.967 125.306 120.400 -0.101 0.000 2.422 525 D HA 0.171 4.811 4.640 -0.000 0.000 0.227 525 D C 0.763 177.071 176.300 0.013 0.000 1.190 525 D CA -0.034 53.937 54.000 -0.048 0.000 0.905 525 D CB 0.769 41.531 40.800 -0.063 0.000 1.034 525 D HN 0.482 nan 8.370 nan 0.000 0.507 526 L N 3.592 124.819 121.223 0.006 0.000 2.610 526 L HA 0.035 4.375 4.340 -0.000 0.000 0.232 526 L C 2.237 179.127 176.870 0.032 0.000 1.149 526 L CA 0.166 55.017 54.840 0.020 0.000 0.872 526 L CB -0.099 41.959 42.059 -0.000 0.000 0.992 526 L HN 0.354 nan 8.230 nan 0.000 0.447 527 R N -0.791 119.734 120.500 0.043 0.000 2.317 527 R HA -0.028 4.312 4.340 -0.000 0.000 0.208 527 R C 0.234 176.573 176.300 0.065 0.000 0.914 527 R CA -0.232 55.891 56.100 0.037 0.000 1.060 527 R CB -0.375 29.940 30.300 0.025 0.000 1.015 527 R HN 0.169 nan 8.270 nan 0.000 0.498 528 Y N 1.670 121.948 120.300 -0.036 0.000 2.304 528 Y HA 0.353 4.903 4.550 -0.000 0.000 0.328 528 Y C 1.287 177.165 175.900 -0.036 0.000 1.123 528 Y CA 1.081 59.160 58.100 -0.036 0.000 1.218 528 Y CB 1.018 39.450 38.460 -0.047 0.000 1.207 528 Y HN 0.387 nan 8.280 nan 0.000 0.495 529 G N 4.902 113.269 108.800 -0.721 0.000 2.634 529 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.318 529 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.318 529 G C -0.366 174.394 174.900 -0.233 0.000 1.207 529 G CA 0.769 45.536 45.100 -0.554 0.000 0.987 529 G HN 0.985 nan 8.290 nan 0.000 0.547 530 N N 1.098 119.706 118.700 -0.154 0.000 2.682 530 N HA 0.515 5.255 4.740 -0.000 0.000 0.252 530 N C 0.585 176.069 175.510 -0.043 0.000 1.081 530 N CA 0.933 53.935 53.050 -0.080 0.000 0.844 530 N CB 0.423 38.873 38.487 -0.063 0.000 1.167 530 N HN 1.934 nan 8.380 nan 0.000 0.523 531 G N 2.243 111.026 108.800 -0.027 0.000 2.283 531 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.280 531 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.280 531 G C 0.921 175.824 174.900 0.005 0.000 1.029 531 G CA 0.442 45.537 45.100 -0.008 0.000 0.840 531 G HN 1.346 nan 8.290 nan 0.000 0.505 532 G N -2.125 106.692 108.800 0.028 0.000 2.232 532 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.226 532 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.226 532 G C 0.341 175.312 174.900 0.118 0.000 0.996 532 G CA 0.232 45.384 45.100 0.087 0.000 0.626 532 G HN 1.335 nan 8.290 nan 0.000 0.509 533 L N 1.707 122.944 121.223 0.022 0.000 2.275 533 L HA 0.689 5.029 4.340 -0.000 0.000 0.288 533 L C 1.284 178.103 176.870 -0.086 0.000 1.046 533 L CA -0.148 54.678 54.840 -0.023 0.000 0.805 533 L CB 1.408 43.417 42.059 -0.083 0.000 1.193 533 L HN 0.252 nan 8.230 nan 0.000 0.426 534 G N 1.666 110.446 108.800 -0.033 0.000 2.782 534 G HA2 0.544 4.504 3.960 -0.000 0.000 0.201 534 G HA3 0.544 4.504 3.960 -0.000 0.000 0.201 534 G C -0.115 174.720 174.900 -0.109 0.000 1.374 534 G CA -0.442 44.581 45.100 -0.129 0.000 1.039 534 G HN 0.677 nan 8.290 nan 0.000 0.576 535 G N -1.597 107.180 108.800 -0.039 0.000 2.432 535 G HA2 0.415 4.375 3.960 -0.000 0.000 0.257 535 G HA3 0.415 4.375 3.960 -0.000 0.000 0.257 535 G C -0.820 174.085 174.900 0.008 0.000 1.238 535 G CA -0.376 44.724 45.100 -0.000 0.000 0.838 535 G HN 0.351 nan 8.290 nan 0.000 0.547 536 Y N 0.705 121.062 120.300 0.096 0.000 2.804 536 Y HA 0.213 4.763 4.550 -0.000 0.000 0.338 536 Y C 1.639 177.641 175.900 0.170 0.000 1.252 536 Y CA 1.465 59.633 58.100 0.114 0.000 1.576 536 Y CB 0.555 39.082 38.460 0.112 0.000 1.223 536 Y HN 1.001 nan 8.280 nan 0.000 0.536 537 G N 2.963 111.933 108.800 0.283 0.000 2.273 537 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.280 537 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.280 537 G C -0.349 174.802 174.900 0.419 0.000 1.047 537 G CA 0.096 45.379 45.100 0.305 0.000 0.869 537 G HN 0.707 nan 8.290 nan 0.000 0.502 538 D N 0.189 120.758 120.400 0.280 0.000 2.402 538 D HA 0.368 5.008 4.640 -0.000 0.000 0.235 538 D C 0.763 177.227 176.300 0.272 0.000 1.226 538 D CA -0.309 53.848 54.000 0.261 0.000 0.918 538 D CB -0.184 40.721 40.800 0.176 0.000 1.043 538 D HN 0.331 nan 8.370 nan 0.000 0.506 539 I N 6.465 127.257 120.570 0.371 0.000 2.697 539 I HA 0.222 4.392 4.170 -0.000 0.000 0.279 539 I C -2.152 174.165 176.117 0.333 0.000 1.171 539 I CA -1.699 59.796 61.300 0.325 0.000 1.135 539 I CB 1.218 39.395 38.000 0.294 0.000 1.445 539 I HN 0.147 nan 8.210 nan 0.000 0.541 540 P HA 0.336 nan 4.420 nan 0.000 0.281 540 P C -0.432 176.981 177.300 0.187 0.000 1.249 540 P CA -0.311 62.907 63.100 0.197 0.000 0.810 540 P CB 1.717 33.504 31.700 0.145 0.000 1.008 541 A N 2.608 125.525 122.820 0.163 0.000 2.322 541 A HA 0.269 4.589 4.320 -0.000 0.000 0.269 541 A C 1.163 178.782 177.584 0.060 0.000 1.094 541 A CA -0.531 51.584 52.037 0.129 0.000 0.807 541 A CB -0.138 18.938 19.000 0.127 0.000 1.047 541 A HN 0.716 nan 8.150 nan 0.000 0.487 542 N N 0.764 119.468 118.700 0.007 0.000 2.184 542 N HA 0.081 4.821 4.740 -0.000 0.000 0.206 542 N C 0.012 175.442 175.510 -0.133 0.000 1.151 542 N CA -0.035 52.998 53.050 -0.029 0.000 0.878 542 N CB 0.716 39.211 38.487 0.013 0.000 1.014 542 N HN 0.540 nan 8.380 nan 0.000 0.512 543 R N 0.135 120.458 120.500 -0.294 0.000 2.836 543 R HA 0.714 5.054 4.340 -0.000 0.000 0.269 543 R C -1.395 174.682 176.300 -0.370 0.000 1.010 543 R CA -0.704 55.096 56.100 -0.499 0.000 0.930 543 R CB 2.262 31.847 30.300 -1.191 0.000 1.218 543 R HN 0.116 nan 8.270 nan 0.000 0.473 544 A N 1.268 123.991 122.820 -0.163 0.000 2.385 544 A HA 0.251 4.571 4.320 -0.000 0.000 0.290 544 A C -1.237 176.506 177.584 0.264 0.000 1.094 544 A CA -0.668 51.413 52.037 0.073 0.000 0.729 544 A CB 1.169 20.180 19.000 0.019 0.000 1.194 544 A HN 0.551 nan 8.150 nan 0.000 0.442 545 D N 2.626 123.289 120.400 0.439 0.000 2.336 545 D HA 0.337 4.977 4.640 -0.000 0.000 0.249 545 D C -0.091 176.279 176.300 0.117 0.000 1.213 545 D CA 0.249 54.479 54.000 0.384 0.000 0.870 545 D CB 1.215 42.288 40.800 0.455 0.000 1.076 545 D HN 0.684 nan 8.370 nan 0.000 0.483 546 V N 2.869 122.802 119.914 0.031 0.000 2.384 546 V HA 0.604 4.724 4.120 -0.000 0.000 0.287 546 V C -0.783 175.251 176.094 -0.101 0.000 1.020 546 V CA -0.841 61.378 62.300 -0.134 0.000 0.850 546 V CB 1.521 33.246 31.823 -0.163 0.000 0.987 546 V HN 0.638 nan 8.190 nan 0.000 0.436 547 N N 6.525 125.140 118.700 -0.142 0.000 2.762 547 N HA 0.190 4.930 4.740 -0.000 0.000 0.252 547 N C 0.728 176.212 175.510 -0.043 0.000 1.269 547 N CA -0.609 52.415 53.050 -0.044 0.000 0.799 547 N CB 1.255 39.783 38.487 0.069 0.000 1.173 547 N HN 0.515 nan 8.380 nan 0.000 0.516 548 I N 1.416 121.949 120.570 -0.062 0.000 3.314 548 I HA -0.477 3.693 4.170 -0.000 0.000 0.192 548 I C 2.331 178.495 176.117 0.078 0.000 0.802 548 I CA 2.639 63.940 61.300 0.001 0.000 1.099 548 I CB -1.918 36.078 38.000 -0.006 0.000 0.859 548 I HN 0.573 nan 8.210 nan 0.000 0.328 549 A N 0.498 123.352 122.820 0.057 0.000 1.902 549 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 549 A C 2.466 180.098 177.584 0.080 0.000 1.181 549 A CA 2.253 54.328 52.037 0.063 0.000 0.623 549 A CB -1.328 17.701 19.000 0.048 0.000 0.818 549 A HN 0.578 nan 8.150 nan 0.000 0.443 550 G N -2.025 106.836 108.800 0.101 0.000 2.448 550 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.218 550 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.218 550 G C 1.390 176.367 174.900 0.127 0.000 1.135 550 G CA 0.779 45.954 45.100 0.124 0.000 0.784 550 G HN 0.459 nan 8.290 nan 0.000 0.543 551 F N 1.155 121.074 119.950 -0.052 0.000 2.031 551 F HA -0.054 4.472 4.527 -0.000 0.000 0.295 551 F C 2.585 178.352 175.800 -0.055 0.000 1.133 551 F CA 1.379 59.318 58.000 -0.102 0.000 1.188 551 F CB -0.072 38.825 39.000 -0.171 0.000 0.974 551 F HN 0.042 nan 8.300 nan 0.000 0.473 552 I N 0.221 120.830 120.570 0.065 0.000 2.236 552 I HA -0.391 3.779 4.170 -0.000 0.000 0.249 552 I C 2.094 178.189 176.117 -0.037 0.000 1.102 552 I CA 1.558 62.856 61.300 -0.003 0.000 1.365 552 I CB -0.613 37.420 38.000 0.055 0.000 1.051 552 I HN 0.348 nan 8.210 nan 0.000 0.420 553 Q N -0.018 119.778 119.800 -0.006 0.000 2.541 553 Q HA -0.079 4.261 4.340 -0.000 0.000 0.215 553 Q C 0.016 176.003 176.000 -0.021 0.000 0.977 553 Q CA 0.591 56.393 55.803 -0.001 0.000 0.934 553 Q CB 0.064 28.819 28.738 0.028 0.000 0.988 553 Q HN 0.514 nan 8.270 nan 0.000 0.521 554 D N 0.000 120.344 120.400 -0.093 0.000 6.856 554 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 554 D CA 0.000 53.922 54.000 -0.130 0.000 0.868 554 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 554 D HN 0.000 nan 8.370 nan 0.000 0.683