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 1g6t_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGTAMR DATA SEQUENCE PLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.585 32.600 -0.025 0.000 1.302 2 E N 1.453 121.641 120.200 -0.019 0.000 2.383 2 E HA 0.568 4.917 4.350 -0.001 0.000 0.264 2 E C -0.792 175.788 176.600 -0.032 0.000 1.050 2 E CA 0.057 56.443 56.400 -0.023 0.000 0.896 2 E CB 1.200 30.890 29.700 -0.017 0.000 0.982 2 E HN 0.676 nan 8.360 nan 0.000 0.424 3 S N 2.255 117.929 115.700 -0.042 0.000 2.570 3 S HA 0.614 5.083 4.470 -0.001 0.000 0.270 3 S C -1.236 173.311 174.600 -0.088 0.000 1.149 3 S CA -1.068 57.098 58.200 -0.056 0.000 0.837 3 S CB 1.216 64.397 63.200 -0.031 0.000 1.124 3 S HN 0.442 nan 8.310 nan 0.000 0.465 4 L N 1.246 122.390 121.223 -0.133 0.000 2.410 4 L HA 0.742 5.081 4.340 -0.001 0.000 0.270 4 L C -1.282 175.510 176.870 -0.130 0.000 0.983 4 L CA -0.192 54.532 54.840 -0.193 0.000 0.822 4 L CB 2.175 43.978 42.059 -0.427 0.000 1.285 4 L HN 0.893 nan 8.230 nan 0.000 0.409 5 T N 5.797 120.310 114.554 -0.069 0.000 2.771 5 T HA 0.505 4.854 4.350 -0.001 0.000 0.281 5 T C -0.274 174.426 174.700 -0.000 0.000 0.982 5 T CA -0.292 61.814 62.100 0.010 0.000 0.978 5 T CB 1.052 69.954 68.868 0.057 0.000 0.930 5 T HN 0.395 nan 8.240 nan 0.000 0.447 6 L N 3.741 124.987 121.223 0.039 0.000 2.282 6 L HA 0.403 4.743 4.340 -0.001 0.000 0.288 6 L C 0.693 177.613 176.870 0.084 0.000 1.033 6 L CA -0.798 54.075 54.840 0.056 0.000 0.807 6 L CB 1.215 43.333 42.059 0.099 0.000 1.209 6 L HN 0.506 nan 8.230 nan 0.000 0.423 7 Q N 3.574 123.413 119.800 0.064 0.000 2.312 7 Q HA 0.284 4.623 4.340 -0.001 0.000 0.236 7 Q C -2.189 173.856 176.000 0.075 0.000 0.965 7 Q CA -1.857 53.986 55.803 0.067 0.000 0.894 7 Q CB 0.595 29.359 28.738 0.043 0.000 1.225 7 Q HN 0.335 nan 8.270 nan 0.000 0.478 8 P HA -0.060 nan 4.420 nan 0.000 0.264 8 P C -0.946 176.389 177.300 0.058 0.000 1.183 8 P CA 0.824 63.971 63.100 0.079 0.000 0.763 8 P CB 0.326 32.071 31.700 0.076 0.000 0.807 9 I N 2.290 122.893 120.570 0.054 0.000 2.330 9 I HA 0.240 4.410 4.170 -0.001 0.000 0.289 9 I C 1.277 177.406 176.117 0.021 0.000 1.001 9 I CA -0.369 60.952 61.300 0.034 0.000 1.193 9 I CB 1.612 39.633 38.000 0.034 0.000 1.345 9 I HN 0.366 nan 8.210 nan 0.000 0.461 10 A N 6.544 129.374 122.820 0.016 0.000 1.968 10 A HA 0.055 4.375 4.320 -0.001 0.000 0.217 10 A C 1.166 178.749 177.584 -0.002 0.000 1.169 10 A CA 1.166 53.209 52.037 0.010 0.000 0.638 10 A CB 0.098 19.104 19.000 0.011 0.000 0.812 10 A HN 0.748 nan 8.150 nan 0.000 0.446 11 R N -1.554 118.942 120.500 -0.006 0.000 2.634 11 R HA 0.455 4.795 4.340 -0.001 0.000 0.263 11 R C -1.942 174.350 176.300 -0.012 0.000 1.060 11 R CA -0.206 55.886 56.100 -0.013 0.000 0.898 11 R CB 1.806 32.099 30.300 -0.011 0.000 1.253 11 R HN 0.294 nan 8.270 nan 0.000 0.461 12 V N -0.443 119.462 119.914 -0.014 0.000 2.628 12 V HA 0.837 4.957 4.120 -0.001 0.000 0.306 12 V C -0.993 175.093 176.094 -0.013 0.000 1.045 12 V CA -0.518 61.778 62.300 -0.008 0.000 0.905 12 V CB 1.831 33.662 31.823 0.012 0.000 0.997 12 V HN 0.916 nan 8.190 nan 0.000 0.436 13 D N 1.069 121.456 120.400 -0.022 0.000 2.787 13 D HA 0.684 5.324 4.640 -0.001 0.000 0.215 13 D C -0.271 176.002 176.300 -0.045 0.000 1.246 13 D CA 0.980 54.962 54.000 -0.029 0.000 0.798 13 D CB 1.740 42.524 40.800 -0.028 0.000 1.649 13 D HN 1.430 nan 8.370 nan 0.000 0.507 14 G N 0.756 109.524 108.800 -0.054 0.000 2.350 14 G HA2 0.384 4.344 3.960 -0.001 0.000 0.282 14 G HA3 0.384 4.344 3.960 -0.001 0.000 0.282 14 G C -1.383 173.466 174.900 -0.084 0.000 1.314 14 G CA -0.436 44.621 45.100 -0.072 0.000 0.915 14 G HN 0.518 nan 8.290 nan 0.000 0.499 15 T N 0.750 115.244 114.554 -0.100 0.000 2.886 15 T HA 0.663 5.012 4.350 -0.001 0.000 0.292 15 T C -0.610 174.010 174.700 -0.133 0.000 1.012 15 T CA -0.450 61.588 62.100 -0.103 0.000 0.982 15 T CB 1.434 70.246 68.868 -0.093 0.000 1.018 15 T HN 0.548 nan 8.240 nan 0.000 0.451 16 I N 3.405 123.889 120.570 -0.143 0.000 2.436 16 I HA 0.353 4.523 4.170 -0.001 0.000 0.289 16 I C -0.460 175.608 176.117 -0.081 0.000 1.010 16 I CA -0.944 60.244 61.300 -0.186 0.000 1.098 16 I CB 1.940 39.703 38.000 -0.397 0.000 1.266 16 I HN 0.552 nan 8.210 nan 0.000 0.434 17 N N 7.202 125.868 118.700 -0.057 0.000 2.420 17 N HA 0.356 5.096 4.740 -0.001 0.000 0.249 17 N C -0.202 175.303 175.510 -0.009 0.000 1.033 17 N CA -0.404 52.634 53.050 -0.021 0.000 0.944 17 N CB 1.538 40.014 38.487 -0.019 0.000 1.113 17 N HN 0.453 nan 8.380 nan 0.000 0.502 18 L N 3.616 124.840 121.223 0.002 0.000 2.483 18 L HA 0.177 4.517 4.340 -0.001 0.000 0.276 18 L C -1.434 175.388 176.870 -0.081 0.000 1.213 18 L CA -1.222 53.607 54.840 -0.017 0.000 0.843 18 L CB -0.071 41.989 42.059 0.002 0.000 1.107 18 L HN 0.250 nan 8.230 nan 0.000 0.487 19 P HA 0.088 nan 4.420 nan 0.000 0.274 19 P C -0.126 177.083 177.300 -0.151 0.000 1.246 19 P CA -0.395 62.579 63.100 -0.209 0.000 0.795 19 P CB 0.526 31.956 31.700 -0.450 0.000 1.006 20 G N 0.512 109.257 108.800 -0.091 0.000 2.614 20 G HA2 0.168 4.127 3.960 -0.001 0.000 0.239 20 G HA3 0.168 4.127 3.960 -0.001 0.000 0.239 20 G C 0.029 174.897 174.900 -0.052 0.000 1.240 20 G CA -0.285 44.783 45.100 -0.054 0.000 0.842 20 G HN 0.545 nan 8.290 nan 0.000 0.584 21 S N 0.043 115.732 115.700 -0.017 0.000 2.516 21 S HA 0.053 4.523 4.470 -0.001 0.000 0.282 21 S C 1.611 176.222 174.600 0.018 0.000 1.286 21 S CA -0.333 57.870 58.200 0.005 0.000 1.066 21 S CB 0.841 64.061 63.200 0.034 0.000 0.884 21 S HN 0.677 nan 8.310 nan 0.000 0.491 22 K N 3.761 124.172 120.400 0.018 0.000 2.057 22 K HA -0.080 4.239 4.320 -0.001 0.000 0.207 22 K C 1.897 178.515 176.600 0.031 0.000 1.049 22 K CA 1.859 58.157 56.287 0.017 0.000 0.931 22 K CB -0.671 31.841 32.500 0.021 0.000 0.714 22 K HN 0.672 nan 8.250 nan 0.000 0.440 23 S N 0.696 116.436 115.700 0.067 0.000 2.356 23 S HA -0.105 4.365 4.470 -0.001 0.000 0.223 23 S C 2.052 176.695 174.600 0.072 0.000 1.032 23 S CA 1.384 59.638 58.200 0.090 0.000 1.005 23 S CB -0.174 63.147 63.200 0.202 0.000 0.867 23 S HN 0.140 nan 8.310 nan 0.000 0.449 24 V N 1.429 121.393 119.914 0.084 0.000 2.379 24 V HA -0.115 4.005 4.120 -0.001 0.000 0.245 24 V C 2.422 178.562 176.094 0.078 0.000 1.044 24 V CA 1.658 64.019 62.300 0.102 0.000 1.036 24 V CB -0.877 31.033 31.823 0.145 0.000 0.664 24 V HN 0.401 nan 8.190 nan 0.000 0.453 25 S N 0.738 116.471 115.700 0.055 0.000 2.353 25 S HA -0.217 4.253 4.470 -0.001 0.000 0.222 25 S C 1.911 176.497 174.600 -0.024 0.000 1.035 25 S CA 1.829 60.045 58.200 0.026 0.000 1.025 25 S CB -0.463 62.741 63.200 0.005 0.000 0.902 25 S HN 0.584 nan 8.310 nan 0.000 0.440 26 N N 0.815 119.494 118.700 -0.035 0.000 2.244 26 N HA 0.049 4.788 4.740 -0.001 0.000 0.183 26 N C 1.755 177.201 175.510 -0.107 0.000 1.016 26 N CA 0.684 53.692 53.050 -0.069 0.000 0.866 26 N CB -0.190 38.264 38.487 -0.055 0.000 0.980 26 N HN 0.345 nan 8.380 nan 0.000 0.430 27 R N 0.399 120.842 120.500 -0.095 0.000 2.066 27 R HA 0.054 4.394 4.340 -0.001 0.000 0.232 27 R C 2.125 178.263 176.300 -0.269 0.000 1.131 27 R CA 1.325 57.330 56.100 -0.158 0.000 0.955 27 R CB -0.306 29.936 30.300 -0.097 0.000 0.851 27 R HN 0.151 nan 8.270 nan 0.000 0.432 28 A N 1.060 123.767 122.820 -0.189 0.000 1.933 28 A HA -0.120 4.199 4.320 -0.001 0.000 0.218 28 A C 2.149 179.564 177.584 -0.282 0.000 1.175 28 A CA 1.128 53.025 52.037 -0.234 0.000 0.628 28 A CB -0.477 18.516 19.000 -0.012 0.000 0.814 28 A HN 0.178 nan 8.150 nan 0.000 0.444 29 L N -1.219 119.887 121.223 -0.196 0.000 2.056 29 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 29 L C 2.543 179.261 176.870 -0.254 0.000 1.078 29 L CA 1.143 55.864 54.840 -0.197 0.000 0.749 29 L CB -0.425 41.530 42.059 -0.174 0.000 0.901 29 L HN 0.476 nan 8.230 nan 0.000 0.433 30 L N -0.305 120.751 121.223 -0.279 0.000 2.056 30 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 30 L C 2.241 178.854 176.870 -0.428 0.000 1.078 30 L CA 1.665 56.334 54.840 -0.285 0.000 0.749 30 L CB -0.370 41.543 42.059 -0.243 0.000 0.901 30 L HN 0.099 nan 8.230 nan 0.000 0.433 31 L N -0.625 120.183 121.223 -0.691 0.000 2.093 31 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 31 L C 2.665 178.985 176.870 -0.916 0.000 1.085 31 L CA 1.044 55.222 54.840 -1.102 0.000 0.755 31 L CB -0.973 40.019 42.059 -1.778 0.000 0.904 31 L HN 0.355 nan 8.230 nan 0.000 0.435 32 A N 0.161 122.553 122.820 -0.712 0.000 1.933 32 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 32 A C 2.514 180.045 177.584 -0.089 0.000 1.175 32 A CA 1.679 53.630 52.037 -0.144 0.000 0.628 32 A CB -0.572 18.443 19.000 0.026 0.000 0.814 32 A HN 0.398 nan 8.150 nan 0.000 0.444 33 A N -0.538 122.191 122.820 -0.150 0.000 1.968 33 A HA 0.090 4.409 4.320 -0.001 0.000 0.217 33 A C 2.061 179.595 177.584 -0.083 0.000 1.169 33 A CA 1.302 53.288 52.037 -0.085 0.000 0.638 33 A CB -0.431 18.515 19.000 -0.089 0.000 0.812 33 A HN 0.458 nan 8.150 nan 0.000 0.446 34 L N -0.772 120.379 121.223 -0.120 0.000 2.341 34 L HA 0.126 4.465 4.340 -0.001 0.000 0.214 34 L C 1.699 178.583 176.870 0.023 0.000 1.115 34 L CA 0.150 54.962 54.840 -0.047 0.000 0.820 34 L CB -0.474 41.576 42.059 -0.015 0.000 0.944 34 L HN 0.388 nan 8.230 nan 0.000 0.452 35 A N -0.830 122.019 122.820 0.049 0.000 2.327 35 A HA 0.225 4.544 4.320 -0.001 0.000 0.255 35 A C -0.674 176.943 177.584 0.055 0.000 1.099 35 A CA -0.157 51.995 52.037 0.191 0.000 0.801 35 A CB -0.077 19.116 19.000 0.323 0.000 1.062 35 A HN 0.246 nan 8.150 nan 0.000 0.496 36 H N -0.823 118.333 119.070 0.142 0.000 2.473 36 H HA 0.556 5.112 4.556 -0.001 0.000 0.327 36 H C 0.815 176.200 175.328 0.096 0.000 1.105 36 H CA 0.947 57.055 56.048 0.099 0.000 1.280 36 H CB 1.099 30.909 29.762 0.081 0.000 1.450 36 H HN 1.379 nan 8.280 nan 0.000 0.492 37 G N 1.607 110.501 108.800 0.157 0.000 2.592 37 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.684 37 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.684 37 G C -0.964 173.994 174.900 0.098 0.000 1.291 37 G CA -0.826 44.345 45.100 0.119 0.000 0.891 37 G HN 0.719 nan 8.290 nan 0.000 0.544 38 K N 0.068 120.517 120.400 0.082 0.000 2.211 38 K HA 0.655 4.975 4.320 -0.001 0.000 0.275 38 K C -0.248 176.401 176.600 0.081 0.000 1.024 38 K CA -0.290 56.044 56.287 0.078 0.000 0.887 38 K CB 0.811 33.350 32.500 0.064 0.000 1.084 38 K HN 0.548 nan 8.250 nan 0.000 0.463 39 T N 2.990 117.604 114.554 0.099 0.000 2.824 39 T HA 0.309 4.658 4.350 -0.001 0.000 0.280 39 T C -0.914 173.844 174.700 0.097 0.000 0.995 39 T CA -0.640 61.523 62.100 0.104 0.000 1.009 39 T CB 1.436 70.410 68.868 0.176 0.000 0.955 39 T HN 0.299 nan 8.240 nan 0.000 0.452 40 V N 5.165 125.132 119.914 0.089 0.000 2.334 40 V HA 0.400 4.520 4.120 -0.001 0.000 0.281 40 V C -0.225 175.936 176.094 0.110 0.000 1.016 40 V CA -0.741 61.610 62.300 0.085 0.000 0.832 40 V CB 0.902 32.763 31.823 0.064 0.000 0.999 40 V HN 0.711 nan 8.190 nan 0.000 0.439 41 L N 5.382 126.673 121.223 0.114 0.000 2.289 41 L HA 0.694 5.033 4.340 -0.001 0.000 0.285 41 L C 0.537 177.458 176.870 0.085 0.000 1.049 41 L CA -0.196 54.731 54.840 0.146 0.000 0.804 41 L CB 1.882 44.028 42.059 0.145 0.000 1.195 41 L HN 0.743 nan 8.230 nan 0.000 0.428 42 T N -1.480 113.111 114.554 0.062 0.000 2.924 42 T HA 0.296 4.645 4.350 -0.001 0.000 0.291 42 T C 0.405 175.109 174.700 0.007 0.000 1.045 42 T CA -0.756 61.358 62.100 0.024 0.000 1.015 42 T CB 1.748 70.619 68.868 0.005 0.000 1.103 42 T HN 0.780 nan 8.240 nan 0.000 0.496 43 N N -0.501 118.200 118.700 0.001 0.000 2.741 43 N HA -0.163 4.576 4.740 -0.001 0.000 0.250 43 N C -0.383 175.128 175.510 0.001 0.000 1.115 43 N CA -0.030 53.015 53.050 -0.008 0.000 0.724 43 N CB -0.825 37.647 38.487 -0.026 0.000 1.090 43 N HN 0.692 nan 8.380 nan 0.000 0.558 44 L N 1.546 122.777 121.223 0.014 0.000 2.485 44 L HA 0.227 4.566 4.340 -0.001 0.000 0.275 44 L C 0.272 177.140 176.870 -0.004 0.000 1.207 44 L CA 0.142 54.990 54.840 0.014 0.000 0.855 44 L CB 0.508 42.571 42.059 0.008 0.000 1.114 44 L HN 0.212 nan 8.230 nan 0.000 0.485 45 L N 4.147 125.364 121.223 -0.011 0.000 2.380 45 L HA 0.291 4.631 4.340 -0.001 0.000 0.273 45 L C -0.643 176.217 176.870 -0.017 0.000 1.138 45 L CA 0.188 55.015 54.840 -0.022 0.000 0.832 45 L CB 0.699 42.740 42.059 -0.029 0.000 1.124 45 L HN 0.723 nan 8.230 nan 0.000 0.454 46 D N 3.320 123.717 120.400 -0.006 0.000 2.454 46 D HA 0.538 5.178 4.640 -0.001 0.000 0.225 46 D C -0.937 175.369 176.300 0.010 0.000 1.081 46 D CA 0.128 54.128 54.000 0.000 0.000 0.864 46 D CB 0.683 41.492 40.800 0.016 0.000 1.040 46 D HN 0.709 nan 8.370 nan 0.000 0.517 47 S N 2.148 117.841 115.700 -0.012 0.000 2.643 47 S HA 0.320 4.790 4.470 -0.001 0.000 0.270 47 S C 0.381 174.946 174.600 -0.057 0.000 1.166 47 S CA -0.799 57.396 58.200 -0.008 0.000 0.815 47 S CB 1.231 64.433 63.200 0.003 0.000 1.139 47 S HN 0.099 nan 8.310 nan 0.000 0.472 48 D N 1.106 121.465 120.400 -0.069 0.000 2.123 48 D HA -0.083 4.557 4.640 -0.001 0.000 0.196 48 D C 1.036 177.244 176.300 -0.153 0.000 0.992 48 D CA 1.656 55.567 54.000 -0.149 0.000 0.833 48 D CB -0.422 40.344 40.800 -0.056 0.000 0.954 48 D HN 0.606 nan 8.370 nan 0.000 0.455 49 D N -0.041 120.337 120.400 -0.038 0.000 2.144 49 D HA -0.085 4.554 4.640 -0.001 0.000 0.199 49 D C 2.230 178.527 176.300 -0.005 0.000 0.984 49 D CA 0.343 54.358 54.000 0.024 0.000 0.834 49 D CB -0.103 40.686 40.800 -0.019 0.000 0.955 49 D HN 0.095 nan 8.370 nan 0.000 0.465 50 V N 0.558 120.445 119.914 -0.045 0.000 2.488 50 V HA -0.133 3.987 4.120 -0.001 0.000 0.246 50 V C 2.475 178.528 176.094 -0.069 0.000 1.046 50 V CA 1.173 63.442 62.300 -0.052 0.000 1.053 50 V CB -0.369 31.423 31.823 -0.051 0.000 0.679 50 V HN 0.103 nan 8.190 nan 0.000 0.458 51 R N -0.667 119.767 120.500 -0.110 0.000 2.096 51 R HA -0.188 4.151 4.340 -0.001 0.000 0.235 51 R C 2.402 178.639 176.300 -0.105 0.000 1.127 51 R CA 1.642 57.667 56.100 -0.126 0.000 0.968 51 R CB -0.298 29.889 30.300 -0.189 0.000 0.861 51 R HN 0.556 nan 8.270 nan 0.000 0.440 52 H N 0.045 119.129 119.070 0.023 0.000 2.353 52 H HA -0.142 4.413 4.556 -0.001 0.000 0.300 52 H C 1.963 177.297 175.328 0.009 0.000 1.090 52 H CA 1.868 57.937 56.048 0.036 0.000 1.327 52 H CB -0.288 29.483 29.762 0.015 0.000 1.383 52 H HN 0.240 nan 8.280 nan 0.000 0.508 53 M N 0.750 120.399 119.600 0.081 0.000 2.086 53 M HA -0.093 4.386 4.480 -0.001 0.000 0.261 53 M C 2.141 178.436 176.300 -0.010 0.000 1.067 53 M CA 1.327 56.633 55.300 0.010 0.000 1.116 53 M CB -0.689 31.885 32.600 -0.042 0.000 1.348 53 M HN 0.125 nan 8.290 nan 0.000 0.407 54 L N -0.226 120.972 121.223 -0.041 0.000 2.046 54 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 54 L C 2.045 178.995 176.870 0.132 0.000 1.077 54 L CA 1.782 56.584 54.840 -0.063 0.000 0.747 54 L CB -0.955 41.045 42.059 -0.098 0.000 0.896 54 L HN 0.478 nan 8.230 nan 0.000 0.432 55 N N -0.399 118.375 118.700 0.124 0.000 2.188 55 N HA -0.148 4.592 4.740 -0.001 0.000 0.184 55 N C 1.919 177.510 175.510 0.134 0.000 1.018 55 N CA 0.895 54.035 53.050 0.149 0.000 0.858 55 N CB -0.120 38.461 38.487 0.155 0.000 0.989 55 N HN 0.324 nan 8.380 nan 0.000 0.426 56 A N 1.293 124.180 122.820 0.112 0.000 1.898 56 A HA -0.054 4.265 4.320 -0.001 0.000 0.216 56 A C 2.129 179.757 177.584 0.073 0.000 1.181 56 A CA 0.880 52.965 52.037 0.080 0.000 0.620 56 A CB -0.613 18.417 19.000 0.049 0.000 0.819 56 A HN 0.151 nan 8.150 nan 0.000 0.442 57 L N -0.781 120.493 121.223 0.085 0.000 2.046 57 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 57 L C 2.786 179.752 176.870 0.161 0.000 1.077 57 L CA 1.745 56.649 54.840 0.107 0.000 0.747 57 L CB -1.028 41.093 42.059 0.103 0.000 0.896 57 L HN 0.332 nan 8.230 nan 0.000 0.432 58 T N 0.056 114.741 114.554 0.217 0.000 2.684 58 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 58 T C 1.988 176.725 174.700 0.062 0.000 1.036 58 T CA 1.486 63.656 62.100 0.116 0.000 1.148 58 T CB -0.237 68.686 68.868 0.091 0.000 0.863 58 T HN 0.460 nan 8.240 nan 0.000 0.436 59 A N 0.858 123.720 122.820 0.070 0.000 2.019 59 A HA 0.064 4.383 4.320 -0.001 0.000 0.219 59 A C 2.116 179.725 177.584 0.042 0.000 1.164 59 A CA 1.085 53.152 52.037 0.051 0.000 0.644 59 A CB -0.692 18.343 19.000 0.059 0.000 0.805 59 A HN 0.511 nan 8.150 nan 0.000 0.449 60 L N -1.478 119.771 121.223 0.044 0.000 2.599 60 L HA 0.180 4.520 4.340 -0.001 0.000 0.230 60 L C 1.628 178.517 176.870 0.032 0.000 1.141 60 L CA 0.592 55.452 54.840 0.032 0.000 0.877 60 L CB -0.055 42.014 42.059 0.016 0.000 1.009 60 L HN 0.584 nan 8.230 nan 0.000 0.447 61 G N -0.301 108.519 108.800 0.033 0.000 2.144 61 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 61 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 61 G C 0.142 175.057 174.900 0.025 0.000 0.988 61 G CA -0.125 44.988 45.100 0.023 0.000 0.659 61 G HN 0.058 nan 8.290 nan 0.000 0.522 62 V N 1.073 121.017 119.914 0.050 0.000 2.583 62 V HA 0.607 4.726 4.120 -0.001 0.000 0.287 62 V C 1.017 177.151 176.094 0.067 0.000 1.051 62 V CA 0.484 62.829 62.300 0.076 0.000 1.010 62 V CB 1.653 33.547 31.823 0.119 0.000 0.988 62 V HN 0.476 nan 8.190 nan 0.000 0.478 63 S N 4.523 120.250 115.700 0.046 0.000 2.480 63 S HA 0.752 5.222 4.470 -0.001 0.000 0.286 63 S C -0.965 173.677 174.600 0.070 0.000 1.180 63 S CA -0.444 57.742 58.200 -0.024 0.000 1.075 63 S CB 0.321 63.511 63.200 -0.017 0.000 0.996 63 S HN 0.743 nan 8.310 nan 0.000 0.487 64 Y N 0.145 120.451 120.300 0.010 0.000 2.677 64 Y HA 0.688 5.238 4.550 -0.001 0.000 0.334 64 Y C -0.731 175.177 175.900 0.014 0.000 1.196 64 Y CA -1.082 57.026 58.100 0.013 0.000 1.059 64 Y CB 0.642 39.110 38.460 0.012 0.000 1.315 64 Y HN 0.565 nan 8.280 nan 0.000 0.455 65 T N 0.419 115.120 114.554 0.245 0.000 2.907 65 T HA 0.833 5.182 4.350 -0.001 0.000 0.292 65 T C -1.309 173.533 174.700 0.236 0.000 1.043 65 T CA -0.803 61.393 62.100 0.159 0.000 1.003 65 T CB 1.843 70.756 68.868 0.076 0.000 1.084 65 T HN 0.842 nan 8.240 nan 0.000 0.483 66 L N 2.205 123.534 121.223 0.176 0.000 2.362 66 L HA 0.615 4.955 4.340 -0.001 0.000 0.271 66 L C 0.793 177.711 176.870 0.080 0.000 1.002 66 L CA -1.080 53.840 54.840 0.134 0.000 0.818 66 L CB 2.505 44.652 42.059 0.146 0.000 1.298 66 L HN 1.046 nan 8.230 nan 0.000 0.420 67 S N 1.067 116.803 115.700 0.061 0.000 2.617 67 S HA 0.307 4.776 4.470 -0.001 0.000 0.259 67 S C 1.209 175.832 174.600 0.039 0.000 1.301 67 S CA -0.002 58.225 58.200 0.044 0.000 0.984 67 S CB 1.293 64.515 63.200 0.036 0.000 0.954 67 S HN 0.724 nan 8.310 nan 0.000 0.572 68 A N 1.015 123.854 122.820 0.031 0.000 1.940 68 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 68 A C 1.637 179.237 177.584 0.028 0.000 1.176 68 A CA 1.859 53.913 52.037 0.028 0.000 0.631 68 A CB -1.186 17.827 19.000 0.022 0.000 0.814 68 A HN 0.975 nan 8.150 nan 0.000 0.446 69 D N -2.271 118.145 120.400 0.027 0.000 2.328 69 D HA 0.058 4.698 4.640 -0.001 0.000 0.221 69 D C 0.695 177.011 176.300 0.027 0.000 1.072 69 D CA 0.003 54.019 54.000 0.027 0.000 0.850 69 D CB -0.479 40.336 40.800 0.024 0.000 0.922 69 D HN 0.456 nan 8.370 nan 0.000 0.516 70 R N -1.267 119.252 120.500 0.031 0.000 3.875 70 R HA -0.170 4.170 4.340 -0.001 0.000 0.321 70 R C 0.680 176.991 176.300 0.019 0.000 1.196 70 R CA 1.335 57.453 56.100 0.030 0.000 0.868 70 R CB -3.020 27.296 30.300 0.027 0.000 1.333 70 R HN 0.519 nan 8.270 nan 0.000 0.522 71 T N -3.182 111.384 114.554 0.020 0.000 3.040 71 T HA 0.142 4.491 4.350 -0.001 0.000 0.250 71 T C 0.623 175.335 174.700 0.019 0.000 1.058 71 T CA -0.173 61.936 62.100 0.014 0.000 0.988 71 T CB 0.383 69.257 68.868 0.010 0.000 0.993 71 T HN 0.298 nan 8.240 nan 0.000 0.519 72 R N -0.001 120.515 120.500 0.027 0.000 2.480 72 R HA 0.652 4.992 4.340 -0.001 0.000 0.306 72 R C -1.844 174.483 176.300 0.045 0.000 0.958 72 R CA -0.703 55.418 56.100 0.035 0.000 0.861 72 R CB 1.505 31.826 30.300 0.034 0.000 1.171 72 R HN 0.299 nan 8.270 nan 0.000 0.445 73 C N 4.067 123.395 119.300 0.047 0.000 2.431 73 C HA 0.455 4.915 4.460 -0.001 0.000 0.321 73 C C -0.948 174.087 174.990 0.074 0.000 1.202 73 C CA -0.460 58.591 59.018 0.054 0.000 1.398 73 C CB 1.403 29.134 27.740 -0.016 0.000 2.047 73 C HN 0.883 nan 8.230 nan 0.000 0.465 74 E N 4.950 125.214 120.200 0.107 0.000 2.092 74 E HA 0.461 4.810 4.350 -0.001 0.000 0.271 74 E C -1.053 175.631 176.600 0.140 0.000 0.919 74 E CA -0.274 56.188 56.400 0.104 0.000 0.760 74 E CB 1.412 31.165 29.700 0.088 0.000 1.106 74 E HN 0.573 nan 8.360 nan 0.000 0.408 75 I N 3.679 124.321 120.570 0.120 0.000 2.354 75 I HA 0.176 4.345 4.170 -0.001 0.000 0.292 75 I C -0.211 175.972 176.117 0.109 0.000 0.989 75 I CA -0.628 60.753 61.300 0.136 0.000 1.188 75 I CB 1.061 39.110 38.000 0.081 0.000 1.342 75 I HN 0.383 nan 8.210 nan 0.000 0.457 76 I N 5.662 126.296 120.570 0.106 0.000 2.308 76 I HA 0.230 4.399 4.170 -0.001 0.000 0.293 76 I C 1.107 177.258 176.117 0.056 0.000 1.078 76 I CA -0.072 61.271 61.300 0.072 0.000 1.292 76 I CB 0.058 38.091 38.000 0.056 0.000 1.423 76 I HN 0.667 nan 8.210 nan 0.000 0.493 77 G N 4.433 113.262 108.800 0.049 0.000 2.491 77 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.238 77 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.238 77 G C 0.802 175.683 174.900 -0.032 0.000 1.277 77 G CA -0.208 44.901 45.100 0.016 0.000 0.851 77 G HN 0.714 nan 8.290 nan 0.000 0.573 78 N N 0.507 119.171 118.700 -0.059 0.000 2.457 78 N HA 0.056 4.795 4.740 -0.001 0.000 0.180 78 N C 1.797 177.203 175.510 -0.172 0.000 1.050 78 N CA 1.407 54.413 53.050 -0.074 0.000 0.906 78 N CB -0.071 38.385 38.487 -0.052 0.000 0.968 78 N HN 1.073 nan 8.380 nan 0.000 0.445 79 G N -1.141 107.442 108.800 -0.360 0.000 2.272 79 G HA2 0.072 4.031 3.960 -0.001 0.000 0.280 79 G HA3 0.072 4.031 3.960 -0.001 0.000 0.280 79 G C 0.331 174.958 174.900 -0.455 0.000 1.067 79 G CA 0.600 45.122 45.100 -0.963 0.000 0.902 79 G HN 0.872 nan 8.290 nan 0.000 0.500 80 G N -1.697 106.996 108.800 -0.178 0.000 2.369 80 G HA2 0.482 4.442 3.960 -0.001 0.000 0.307 80 G HA3 0.482 4.442 3.960 -0.001 0.000 0.307 80 G C -3.008 171.885 174.900 -0.011 0.000 1.327 80 G CA -0.148 44.952 45.100 -0.001 0.000 0.963 80 G HN 0.496 nan 8.290 nan 0.000 0.590 81 P HA 0.287 nan 4.420 nan 0.000 0.265 81 P C 0.294 177.411 177.300 -0.305 0.000 1.187 81 P CA 0.016 63.039 63.100 -0.129 0.000 0.766 81 P CB 0.350 32.001 31.700 -0.082 0.000 0.820 82 L N 3.913 124.926 121.223 -0.350 0.000 2.418 82 L HA 0.357 4.697 4.340 -0.001 0.000 0.265 82 L C 0.733 177.258 176.870 -0.575 0.000 1.143 82 L CA -0.181 54.477 54.840 -0.303 0.000 0.809 82 L CB 0.288 42.252 42.059 -0.158 0.000 1.124 82 L HN 0.472 nan 8.230 nan 0.000 0.456 83 H N 0.906 119.981 119.070 0.007 0.000 2.930 83 H HA 0.785 5.341 4.556 -0.001 0.000 0.371 83 H C -1.051 174.282 175.328 0.009 0.000 1.169 83 H CA -0.706 55.347 56.048 0.009 0.000 1.157 83 H CB 2.221 31.990 29.762 0.011 0.000 1.789 83 H HN 0.715 nan 8.280 nan 0.000 0.547 84 A N 1.972 124.883 122.820 0.152 0.000 2.605 84 A HA 0.532 4.851 4.320 -0.001 0.000 0.294 84 A C -0.747 176.881 177.584 0.074 0.000 1.062 84 A CA -0.786 51.303 52.037 0.087 0.000 0.682 84 A CB 2.243 21.276 19.000 0.054 0.000 1.278 84 A HN 0.747 nan 8.150 nan 0.000 0.410 85 E N -0.269 119.961 120.200 0.049 0.000 2.458 85 E HA 0.656 5.006 4.350 -0.001 0.000 0.250 85 E C 0.575 177.191 176.600 0.028 0.000 0.883 85 E CA -0.609 55.813 56.400 0.036 0.000 0.868 85 E CB 0.984 30.699 29.700 0.025 0.000 1.593 85 E HN 2.324 nan 8.360 nan 0.000 0.410 86 G N -0.368 108.445 108.800 0.021 0.000 2.160 86 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.251 86 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.251 86 G C 0.832 175.744 174.900 0.020 0.000 1.008 86 G CA 0.707 45.818 45.100 0.018 0.000 0.724 86 G HN 1.689 nan 8.290 nan 0.000 0.514 87 A N -2.485 120.347 122.820 0.021 0.000 2.822 87 A HA -0.037 4.283 4.320 -0.001 0.000 0.287 87 A C 0.967 178.566 177.584 0.025 0.000 1.479 87 A CA 1.550 53.600 52.037 0.021 0.000 0.779 87 A CB -1.681 17.330 19.000 0.018 0.000 1.022 87 A HN 2.284 nan 8.150 nan 0.000 0.532 88 L N 0.430 121.670 121.223 0.027 0.000 2.601 88 L HA 0.296 4.635 4.340 -0.001 0.000 0.277 88 L C 0.641 177.532 176.870 0.035 0.000 1.219 88 L CA 1.293 56.151 54.840 0.031 0.000 0.915 88 L CB 0.342 42.421 42.059 0.033 0.000 1.160 88 L HN 0.478 nan 8.230 nan 0.000 0.494 89 E N 5.513 125.739 120.200 0.044 0.000 2.174 89 E HA 0.353 4.702 4.350 -0.001 0.000 0.282 89 E C -1.372 175.274 176.600 0.075 0.000 0.992 89 E CA -0.606 55.828 56.400 0.058 0.000 0.803 89 E CB 0.697 30.440 29.700 0.071 0.000 1.090 89 E HN 0.688 nan 8.360 nan 0.000 0.396 90 L N 5.670 126.933 121.223 0.067 0.000 2.287 90 L HA 0.386 4.725 4.340 -0.001 0.000 0.287 90 L C -0.455 176.470 176.870 0.092 0.000 1.022 90 L CA -0.879 54.007 54.840 0.078 0.000 0.814 90 L CB 0.803 42.883 42.059 0.035 0.000 1.217 90 L HN 0.570 nan 8.230 nan 0.000 0.420 91 F N 4.768 124.710 119.950 -0.013 0.000 2.405 91 F HA 0.377 4.904 4.527 -0.001 0.000 0.355 91 F C 0.316 176.038 175.800 -0.130 0.000 1.121 91 F CA -0.341 57.625 58.000 -0.057 0.000 1.112 91 F CB 0.733 39.714 39.000 -0.033 0.000 1.126 91 F HN 0.341 nan 8.300 nan 0.000 0.481 92 L N 6.794 127.603 121.223 -0.690 0.000 2.965 92 L HA 0.323 4.663 4.340 -0.001 0.000 0.254 92 L C 1.356 177.692 176.870 -0.890 0.000 1.220 92 L CA 0.122 54.626 54.840 -0.560 0.000 1.023 92 L CB -0.591 41.295 42.059 -0.288 0.000 1.355 92 L HN 1.017 nan 8.230 nan 0.000 0.545 93 G N 1.879 109.817 108.800 -1.436 0.000 2.660 93 G HA2 -0.438 3.522 3.960 -0.001 0.000 0.321 93 G HA3 -0.438 3.522 3.960 -0.001 0.000 0.321 93 G C 0.500 175.115 174.900 -0.474 0.000 1.246 93 G CA 0.807 45.348 45.100 -0.931 0.000 1.000 93 G HN 0.464 nan 8.290 nan 0.000 0.550 94 N N 1.356 119.925 118.700 -0.218 0.000 2.480 94 N HA 0.546 5.286 4.740 -0.001 0.000 0.281 94 N C 0.208 175.657 175.510 -0.100 0.000 1.381 94 N CA 0.831 53.799 53.050 -0.137 0.000 0.903 94 N CB 0.126 38.573 38.487 -0.066 0.000 1.274 94 N HN 1.012 nan 8.380 nan 0.000 0.505 95 A N -0.360 122.392 122.820 -0.113 0.000 2.506 95 A HA 0.545 4.864 4.320 -0.001 0.000 0.320 95 A C 1.498 179.037 177.584 -0.074 0.000 1.424 95 A CA -0.211 51.788 52.037 -0.064 0.000 1.044 95 A CB -0.225 18.773 19.000 -0.004 0.000 1.140 95 A HN 0.334 nan 8.150 nan 0.000 0.538 96 G N 1.636 110.393 108.800 -0.072 0.000 2.442 96 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.219 96 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.219 96 G C 1.461 176.317 174.900 -0.072 0.000 1.141 96 G CA 1.664 46.721 45.100 -0.071 0.000 0.763 96 G HN 0.897 nan 8.290 nan 0.000 0.554 97 T N -1.857 112.652 114.554 -0.074 0.000 3.163 97 T HA 0.457 4.807 4.350 -0.001 0.000 0.260 97 T C 2.044 176.708 174.700 -0.061 0.000 1.156 97 T CA 1.361 63.420 62.100 -0.069 0.000 1.072 97 T CB 0.192 69.024 68.868 -0.060 0.000 0.937 97 T HN 0.324 nan 8.240 nan 0.000 0.528 98 A N 0.893 123.680 122.820 -0.055 0.000 1.970 98 A HA 0.467 4.787 4.320 -0.001 0.000 0.204 98 A C 2.084 179.633 177.584 -0.058 0.000 1.325 98 A CA 0.693 52.699 52.037 -0.053 0.000 0.767 98 A CB -0.510 18.470 19.000 -0.033 0.000 0.949 98 A HN 0.397 nan 8.150 nan 0.000 0.481 99 M N 0.125 119.688 119.600 -0.063 0.000 2.065 99 M HA -0.096 4.383 4.480 -0.001 0.000 0.259 99 M C 1.945 178.230 176.300 -0.025 0.000 1.069 99 M CA 1.812 57.079 55.300 -0.054 0.000 1.110 99 M CB -0.432 32.134 32.600 -0.057 0.000 1.328 99 M HN 0.269 nan 8.290 nan 0.000 0.405 100 R N -0.276 120.222 120.500 -0.003 0.000 2.062 100 R HA 0.009 4.348 4.340 -0.001 0.000 0.231 100 R C -0.549 175.747 176.300 -0.006 0.000 1.136 100 R CA 1.843 57.967 56.100 0.040 0.000 0.948 100 R CB -2.281 28.070 30.300 0.085 0.000 0.845 100 R HN 0.326 nan 8.270 nan 0.000 0.430 101 P HA -0.107 nan 4.420 nan 0.000 0.216 101 P C 0.885 178.137 177.300 -0.080 0.000 1.153 101 P CA 1.178 64.237 63.100 -0.068 0.000 0.848 101 P CB 0.056 31.704 31.700 -0.086 0.000 0.787 102 L N -1.347 119.833 121.223 -0.072 0.000 2.156 102 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 102 L C 2.422 179.250 176.870 -0.071 0.000 1.095 102 L CA 1.154 55.950 54.840 -0.073 0.000 0.770 102 L CB -1.031 40.991 42.059 -0.062 0.000 0.914 102 L HN -0.049 nan 8.230 nan 0.000 0.439 103 A N 0.173 122.955 122.820 -0.062 0.000 1.933 103 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 103 A C 2.508 180.038 177.584 -0.091 0.000 1.175 103 A CA 1.814 53.812 52.037 -0.066 0.000 0.628 103 A CB -0.538 18.431 19.000 -0.052 0.000 0.814 103 A HN 0.398 nan 8.150 nan 0.000 0.444 104 A N -0.332 122.423 122.820 -0.109 0.000 1.855 104 A HA 0.304 4.623 4.320 -0.001 0.000 0.213 104 A C 2.520 179.992 177.584 -0.187 0.000 1.195 104 A CA 1.737 53.665 52.037 -0.182 0.000 0.610 104 A CB -1.081 17.799 19.000 -0.201 0.000 0.837 104 A HN 1.016 nan 8.150 nan 0.000 0.444 105 A N -0.076 122.660 122.820 -0.140 0.000 1.908 105 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 105 A C 1.937 179.461 177.584 -0.100 0.000 1.181 105 A CA 1.461 53.426 52.037 -0.119 0.000 0.627 105 A CB -0.668 18.268 19.000 -0.107 0.000 0.818 105 A HN 0.465 nan 8.150 nan 0.000 0.445 106 L N -0.638 120.532 121.223 -0.089 0.000 2.622 106 L HA -0.089 4.251 4.340 -0.001 0.000 0.233 106 L C 1.453 178.306 176.870 -0.029 0.000 1.156 106 L CA -0.121 54.677 54.840 -0.071 0.000 0.866 106 L CB -0.442 41.583 42.059 -0.057 0.000 0.980 106 L HN 0.443 nan 8.230 nan 0.000 0.448 107 C N -0.209 119.075 119.300 -0.027 0.000 2.626 107 C HA 0.165 4.624 4.460 -0.001 0.000 0.266 107 C C 1.337 176.394 174.990 0.112 0.000 1.317 107 C CA -0.660 58.381 59.018 0.038 0.000 1.716 107 C CB -0.927 26.835 27.740 0.037 0.000 1.819 107 C HN 0.249 nan 8.230 nan 0.000 0.578 108 L N 1.450 122.720 121.223 0.077 0.000 2.360 108 L HA 0.480 4.820 4.340 -0.001 0.000 0.276 108 L C 1.213 178.198 176.870 0.192 0.000 1.121 108 L CA 1.080 56.001 54.840 0.134 0.000 0.845 108 L CB -0.101 42.004 42.059 0.077 0.000 1.143 108 L HN 0.563 nan 8.230 nan 0.000 0.452 109 G N 3.208 112.127 108.800 0.199 0.000 2.512 109 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.254 109 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.254 109 G C -0.305 174.687 174.900 0.153 0.000 1.199 109 G CA -0.122 45.102 45.100 0.206 0.000 0.941 109 G HN 0.881 nan 8.290 nan 0.000 0.569 110 S N 0.490 116.255 115.700 0.109 0.000 2.503 110 S HA 0.843 5.312 4.470 -0.001 0.000 0.301 110 S C -0.437 174.235 174.600 0.121 0.000 1.087 110 S CA -0.400 57.839 58.200 0.066 0.000 1.042 110 S CB 2.433 65.632 63.200 -0.001 0.000 1.043 110 S HN 1.077 nan 8.310 nan 0.000 0.489 111 N N 0.284 119.048 118.700 0.105 0.000 2.927 111 N HA 0.497 5.237 4.740 -0.001 0.000 0.248 111 N C -2.416 173.129 175.510 0.058 0.000 1.443 111 N CA -0.403 52.717 53.050 0.117 0.000 0.870 111 N CB 2.146 40.710 38.487 0.127 0.000 1.444 111 N HN 0.815 nan 8.380 nan 0.000 0.519 112 D N 1.189 121.618 120.400 0.048 0.000 2.337 112 D HA 0.478 5.118 4.640 -0.001 0.000 0.238 112 D C -1.301 175.015 176.300 0.026 0.000 1.331 112 D CA -0.024 53.993 54.000 0.028 0.000 0.967 112 D CB 0.028 40.842 40.800 0.022 0.000 1.382 112 D HN 0.451 nan 8.370 nan 0.000 0.549 113 I N 1.665 122.247 120.570 0.019 0.000 2.769 113 I HA 0.446 4.615 4.170 -0.001 0.000 0.298 113 I C -0.489 175.632 176.117 0.006 0.000 1.128 113 I CA -1.141 60.169 61.300 0.016 0.000 1.031 113 I CB 2.677 40.684 38.000 0.013 0.000 1.235 113 I HN -0.030 nan 8.210 nan 0.000 0.423 114 V N 6.090 126.012 119.914 0.012 0.000 2.459 114 V HA 0.475 4.594 4.120 -0.001 0.000 0.295 114 V C -0.275 175.823 176.094 0.007 0.000 1.029 114 V CA -0.567 61.738 62.300 0.010 0.000 0.874 114 V CB 1.844 33.681 31.823 0.022 0.000 0.985 114 V HN 0.412 nan 8.190 nan 0.000 0.438 115 L N 4.401 125.619 121.223 -0.008 0.000 2.313 115 L HA 0.721 5.060 4.340 -0.001 0.000 0.283 115 L C 0.091 176.941 176.870 -0.034 0.000 1.013 115 L CA 0.063 54.887 54.840 -0.027 0.000 0.816 115 L CB 1.840 43.874 42.059 -0.041 0.000 1.236 115 L HN 0.728 nan 8.230 nan 0.000 0.419 116 T N 1.274 115.787 114.554 -0.068 0.000 2.654 116 T HA 0.909 5.259 4.350 -0.001 0.000 0.289 116 T C -0.458 174.036 174.700 -0.343 0.000 1.062 116 T CA 0.076 62.114 62.100 -0.103 0.000 1.041 116 T CB 2.200 71.075 68.868 0.010 0.000 1.417 116 T HN 0.830 nan 8.240 nan 0.000 0.510 117 G N -0.049 108.491 108.800 -0.432 0.000 2.494 117 G HA2 0.481 4.440 3.960 -0.001 0.000 0.308 117 G HA3 0.481 4.440 3.960 -0.001 0.000 0.308 117 G C -1.446 173.166 174.900 -0.480 0.000 1.263 117 G CA -0.696 43.851 45.100 -0.923 0.000 0.840 117 G HN 0.756 nan 8.290 nan 0.000 0.479 118 E N 0.642 120.625 120.200 -0.363 0.000 2.425 118 E HA 0.155 4.504 4.350 -0.001 0.000 0.258 118 E C -1.464 175.129 176.600 -0.011 0.000 1.151 118 E CA -1.134 55.262 56.400 -0.006 0.000 0.958 118 E CB 1.085 30.795 29.700 0.016 0.000 0.968 118 E HN 0.075 nan 8.360 nan 0.000 0.451 119 P HA -0.220 nan 4.420 nan 0.000 0.216 119 P C 1.191 178.484 177.300 -0.012 0.000 1.154 119 P CA 1.377 64.483 63.100 0.011 0.000 0.865 119 P CB 0.169 31.880 31.700 0.017 0.000 0.789 120 R N -0.596 119.900 120.500 -0.008 0.000 2.120 120 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 120 R C 2.036 178.328 176.300 -0.014 0.000 1.123 120 R CA 1.460 57.554 56.100 -0.010 0.000 0.975 120 R CB -1.502 28.801 30.300 0.004 0.000 0.866 120 R HN 0.060 nan 8.270 nan 0.000 0.446 121 M N 0.622 120.201 119.600 -0.034 0.000 2.296 121 M HA -0.030 4.449 4.480 -0.001 0.000 0.265 121 M C 1.057 177.366 176.300 0.014 0.000 1.064 121 M CA 1.738 57.018 55.300 -0.033 0.000 1.109 121 M CB -0.003 32.529 32.600 -0.112 0.000 1.396 121 M HN 0.050 nan 8.290 nan 0.000 0.430 122 K N -0.162 120.238 120.400 0.001 0.000 2.555 122 K HA -0.044 4.276 4.320 -0.001 0.000 0.193 122 K C 0.794 177.387 176.600 -0.012 0.000 1.032 122 K CA 0.790 57.093 56.287 0.028 0.000 1.004 122 K CB -0.019 32.481 32.500 -0.001 0.000 0.804 122 K HN 0.540 nan 8.250 nan 0.000 0.496 123 E N 0.223 120.405 120.200 -0.030 0.000 2.526 123 E HA 0.079 4.429 4.350 -0.001 0.000 0.208 123 E C -0.274 176.387 176.600 0.100 0.000 0.997 123 E CA -0.128 56.184 56.400 -0.145 0.000 0.961 123 E CB 0.692 30.318 29.700 -0.123 0.000 1.030 123 E HN 0.085 nan 8.360 nan 0.000 0.483 124 R N 2.655 123.296 120.500 0.235 0.000 2.294 124 R HA 0.249 4.588 4.340 -0.001 0.000 0.319 124 R C -2.447 174.038 176.300 0.309 0.000 0.984 124 R CA -2.068 54.173 56.100 0.234 0.000 0.861 124 R CB 0.873 31.237 30.300 0.106 0.000 1.104 124 R HN -0.044 nan 8.270 nan 0.000 0.451 125 P HA -0.022 nan 4.420 nan 0.000 0.268 125 P C -0.191 177.093 177.300 -0.027 0.000 1.205 125 P CA 0.407 63.414 63.100 -0.155 0.000 0.771 125 P CB 1.020 32.654 31.700 -0.110 0.000 0.858 126 I N 1.095 121.490 120.570 -0.292 0.000 4.620 126 I HA 0.190 4.360 4.170 -0.001 0.000 0.347 126 I C 1.774 177.608 176.117 -0.471 0.000 1.302 126 I CA 0.076 61.204 61.300 -0.288 0.000 1.277 126 I CB 0.181 38.153 38.000 -0.047 0.000 1.566 126 I HN 0.396 nan 8.210 nan 0.000 0.547 127 G N 0.177 108.694 108.800 -0.472 0.000 2.442 127 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.219 127 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.219 127 G C 1.192 175.940 174.900 -0.254 0.000 1.141 127 G CA 1.362 46.294 45.100 -0.280 0.000 0.763 127 G HN 0.549 nan 8.290 nan 0.000 0.554 128 H N -0.887 117.871 119.070 -0.519 0.000 2.387 128 H HA -0.017 4.539 4.556 -0.001 0.000 0.299 128 H C 2.408 177.462 175.328 -0.456 0.000 1.090 128 H CA 0.737 56.530 56.048 -0.425 0.000 1.332 128 H CB 0.107 29.669 29.762 -0.333 0.000 1.386 128 H HN 0.313 nan 8.280 nan 0.000 0.516 129 L N 0.538 121.355 121.223 -0.677 0.000 2.044 129 L HA -0.103 4.237 4.340 -0.001 0.000 0.205 129 L C 2.179 178.947 176.870 -0.169 0.000 1.075 129 L CA 1.103 55.732 54.840 -0.351 0.000 0.747 129 L CB -0.512 41.349 42.059 -0.331 0.000 0.903 129 L HN 0.033 nan 8.230 nan 0.000 0.435 130 V N 0.233 120.044 119.914 -0.171 0.000 2.332 130 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 130 V C 2.330 178.399 176.094 -0.042 0.000 1.055 130 V CA 1.991 64.229 62.300 -0.104 0.000 1.038 130 V CB -0.826 30.934 31.823 -0.104 0.000 0.651 130 V HN 0.462 nan 8.190 nan 0.000 0.450 131 D N 0.410 120.800 120.400 -0.016 0.000 2.104 131 D HA -0.161 4.479 4.640 -0.001 0.000 0.194 131 D C 2.228 178.546 176.300 0.030 0.000 0.994 131 D CA 1.799 55.811 54.000 0.020 0.000 0.830 131 D CB -0.381 40.438 40.800 0.032 0.000 0.959 131 D HN 0.457 nan 8.370 nan 0.000 0.452 132 A N 0.591 123.427 122.820 0.026 0.000 1.902 132 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 132 A C 2.444 180.111 177.584 0.140 0.000 1.181 132 A CA 0.893 52.972 52.037 0.071 0.000 0.623 132 A CB -0.806 18.231 19.000 0.061 0.000 0.818 132 A HN 0.202 nan 8.150 nan 0.000 0.443 133 L N -1.075 120.210 121.223 0.103 0.000 2.046 133 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 133 L C 2.867 179.878 176.870 0.235 0.000 1.077 133 L CA 1.533 56.495 54.840 0.202 0.000 0.747 133 L CB -0.440 41.640 42.059 0.035 0.000 0.896 133 L HN 0.351 nan 8.230 nan 0.000 0.432 134 R N -0.150 120.409 120.500 0.099 0.000 2.096 134 R HA -0.123 4.216 4.340 -0.001 0.000 0.235 134 R C 2.278 178.607 176.300 0.049 0.000 1.127 134 R CA 1.108 57.242 56.100 0.057 0.000 0.968 134 R CB -0.354 29.959 30.300 0.021 0.000 0.861 134 R HN 0.323 nan 8.270 nan 0.000 0.440 135 L N -0.564 120.696 121.223 0.060 0.000 2.191 135 L HA -0.094 4.246 4.340 -0.001 0.000 0.212 135 L C 2.166 179.029 176.870 -0.011 0.000 1.103 135 L CA 1.200 56.059 54.840 0.032 0.000 0.769 135 L CB -0.399 41.688 42.059 0.046 0.000 0.908 135 L HN 0.354 nan 8.230 nan 0.000 0.438 136 G N -1.672 107.131 108.800 0.005 0.000 2.985 136 G HA2 0.291 4.250 3.960 -0.001 0.000 0.209 136 G HA3 0.291 4.250 3.960 -0.001 0.000 0.209 136 G C 1.159 175.816 174.900 -0.404 0.000 1.165 136 G CA 0.526 45.425 45.100 -0.334 0.000 0.776 136 G HN 0.504 nan 8.290 nan 0.000 0.541 137 G N -1.399 107.327 108.800 -0.124 0.000 2.201 137 G HA2 0.144 4.103 3.960 -0.001 0.000 0.212 137 G HA3 0.144 4.103 3.960 -0.001 0.000 0.212 137 G C 0.573 175.479 174.900 0.009 0.000 0.994 137 G CA 0.079 45.130 45.100 -0.082 0.000 0.644 137 G HN 1.238 nan 8.290 nan 0.000 0.508 138 A N 0.346 123.224 122.820 0.098 0.000 2.445 138 A HA 0.588 4.907 4.320 -0.001 0.000 0.242 138 A C 0.511 178.117 177.584 0.036 0.000 1.075 138 A CA 0.917 53.019 52.037 0.107 0.000 0.777 138 A CB 0.451 19.548 19.000 0.161 0.000 1.013 138 A HN 0.657 nan 8.150 nan 0.000 0.493 139 K N 2.406 122.817 120.400 0.017 0.000 2.263 139 K HA 0.620 4.940 4.320 -0.001 0.000 0.272 139 K C -1.482 175.093 176.600 -0.041 0.000 1.033 139 K CA -0.159 56.121 56.287 -0.012 0.000 0.884 139 K CB 0.345 32.841 32.500 -0.005 0.000 1.107 139 K HN 0.641 nan 8.250 nan 0.000 0.460 140 I N 2.924 123.443 120.570 -0.086 0.000 2.619 140 I HA 0.219 4.389 4.170 -0.001 0.000 0.292 140 I C -0.752 175.231 176.117 -0.223 0.000 1.100 140 I CA -0.789 60.414 61.300 -0.161 0.000 1.043 140 I CB 2.664 40.531 38.000 -0.223 0.000 1.239 140 I HN 0.530 nan 8.210 nan 0.000 0.420 141 T N 4.284 118.711 114.554 -0.211 0.000 2.824 141 T HA 0.460 4.810 4.350 -0.001 0.000 0.282 141 T C -0.901 173.683 174.700 -0.194 0.000 0.993 141 T CA -0.456 61.542 62.100 -0.170 0.000 0.967 141 T CB 0.709 69.543 68.868 -0.056 0.000 0.960 141 T HN 0.120 nan 8.240 nan 0.000 0.441 142 Y N 2.876 123.178 120.300 0.003 0.000 2.436 142 Y HA 0.257 4.807 4.550 -0.001 0.000 0.343 142 Y C 1.293 177.204 175.900 0.018 0.000 1.008 142 Y CA -0.815 57.291 58.100 0.010 0.000 1.241 142 Y CB 0.316 38.785 38.460 0.014 0.000 1.153 142 Y HN 0.573 nan 8.280 nan 0.000 0.521 143 L N 1.620 122.939 121.223 0.160 0.000 2.341 143 L HA 0.026 4.366 4.340 -0.001 0.000 0.214 143 L C 1.058 177.985 176.870 0.096 0.000 1.115 143 L CA 0.995 55.895 54.840 0.100 0.000 0.820 143 L CB 0.124 42.224 42.059 0.067 0.000 0.944 143 L HN 0.700 nan 8.230 nan 0.000 0.452 144 E N -1.180 119.090 120.200 0.117 0.000 4.072 144 E HA 0.110 4.459 4.350 -0.001 0.000 0.247 144 E C -0.326 176.317 176.600 0.072 0.000 1.033 144 E CA -0.663 55.783 56.400 0.077 0.000 1.019 144 E CB 0.263 29.997 29.700 0.057 0.000 2.662 144 E HN -0.108 nan 8.360 nan 0.000 0.514 145 Q N 2.075 121.908 119.800 0.054 0.000 2.313 145 Q HA 0.051 4.391 4.340 -0.001 0.000 0.266 145 Q C -0.984 174.994 176.000 -0.036 0.000 0.989 145 Q CA 0.149 55.970 55.803 0.029 0.000 0.890 145 Q CB 0.974 29.712 28.738 0.001 0.000 1.200 145 Q HN 0.107 nan 8.270 nan 0.000 0.396 146 E N 3.456 123.557 120.200 -0.165 0.000 2.452 146 E HA -0.069 4.281 4.350 -0.001 0.000 0.261 146 E C -0.384 175.793 176.600 -0.705 0.000 0.987 146 E CA 0.891 56.936 56.400 -0.591 0.000 0.926 146 E CB 0.145 29.667 29.700 -0.296 0.000 0.934 146 E HN 0.727 nan 8.360 nan 0.000 0.452 147 N N 1.507 119.255 118.700 -1.587 0.000 2.979 147 N HA -0.221 4.518 4.740 -0.001 0.000 0.234 147 N C -1.333 173.603 175.510 -0.956 0.000 0.938 147 N CA 1.112 53.565 53.050 -0.995 0.000 0.961 147 N CB -1.625 36.433 38.487 -0.715 0.000 1.089 147 N HN 0.415 nan 8.380 nan 0.000 0.576 148 Y N -0.711 119.449 120.300 -0.232 0.000 2.581 148 Y HA 0.571 5.121 4.550 -0.001 0.000 0.345 148 Y C -2.232 173.737 175.900 0.116 0.000 1.036 148 Y CA -1.987 56.103 58.100 -0.016 0.000 1.042 148 Y CB 1.425 39.851 38.460 -0.057 0.000 1.289 148 Y HN -0.264 nan 8.280 nan 0.000 0.471 149 P HA 0.115 nan 4.420 nan 0.000 0.272 149 P C -2.606 174.779 177.300 0.141 0.000 1.240 149 P CA -1.068 62.117 63.100 0.142 0.000 0.791 149 P CB 0.108 31.846 31.700 0.062 0.000 0.978 150 P HA 0.218 nan 4.420 nan 0.000 0.277 150 P C -1.006 176.344 177.300 0.084 0.000 1.240 150 P CA 0.238 63.379 63.100 0.068 0.000 0.798 150 P CB 0.765 32.494 31.700 0.048 0.000 0.979 151 L N 1.688 122.927 121.223 0.027 0.000 2.342 151 L HA 0.589 4.928 4.340 -0.001 0.000 0.271 151 L C 0.702 177.552 176.870 -0.034 0.000 1.008 151 L CA -0.929 53.893 54.840 -0.030 0.000 0.818 151 L CB 2.333 44.347 42.059 -0.076 0.000 1.296 151 L HN 0.337 nan 8.230 nan 0.000 0.427 152 R N 2.766 123.234 120.500 -0.053 0.000 2.310 152 R HA 0.607 4.946 4.340 -0.001 0.000 0.324 152 R C -1.464 174.804 176.300 -0.053 0.000 0.955 152 R CA -0.527 55.553 56.100 -0.034 0.000 0.830 152 R CB 0.911 31.200 30.300 -0.018 0.000 1.154 152 R HN 0.584 nan 8.270 nan 0.000 0.458 153 L N 4.908 126.109 121.223 -0.036 0.000 2.272 153 L HA 0.345 4.684 4.340 -0.001 0.000 0.289 153 L C 0.539 177.405 176.870 -0.006 0.000 1.032 153 L CA -0.265 54.556 54.840 -0.032 0.000 0.810 153 L CB 1.861 43.904 42.059 -0.027 0.000 1.205 153 L HN 0.684 nan 8.230 nan 0.000 0.422 154 Q N 2.410 122.209 119.800 -0.002 0.000 2.155 154 Q HA 0.307 4.646 4.340 -0.001 0.000 0.220 154 Q C 0.689 176.708 176.000 0.031 0.000 0.819 154 Q CA 0.040 55.851 55.803 0.014 0.000 1.032 154 Q CB 1.397 30.137 28.738 0.004 0.000 1.151 154 Q HN 0.966 nan 8.270 nan 0.000 0.487 155 G N -0.160 108.666 108.800 0.043 0.000 2.725 155 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.220 155 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.220 155 G C 0.472 175.417 174.900 0.075 0.000 1.357 155 G CA -0.313 44.830 45.100 0.072 0.000 0.866 155 G HN 0.689 nan 8.290 nan 0.000 0.548 156 G N -2.111 106.744 108.800 0.091 0.000 2.184 156 G HA2 0.105 4.065 3.960 -0.001 0.000 0.206 156 G HA3 0.105 4.065 3.960 -0.001 0.000 0.206 156 G C 0.475 175.421 174.900 0.076 0.000 0.995 156 G CA 0.501 45.641 45.100 0.066 0.000 0.651 156 G HN 2.005 nan 8.290 nan 0.000 0.511 157 F N 3.483 123.438 119.950 0.008 0.000 2.494 157 F HA 0.473 5.000 4.527 -0.001 0.000 0.369 157 F C 1.674 177.482 175.800 0.012 0.000 1.098 157 F CA 1.160 59.163 58.000 0.006 0.000 1.154 157 F CB 1.089 40.092 39.000 0.004 0.000 1.103 157 F HN 0.121 nan 8.300 nan 0.000 0.549 158 T N 1.828 116.107 114.554 -0.458 0.000 3.001 158 T HA 0.583 4.933 4.350 -0.001 0.000 0.251 158 T C 0.894 175.360 174.700 -0.389 0.000 1.040 158 T CA 0.191 62.124 62.100 -0.278 0.000 0.985 158 T CB -0.174 68.593 68.868 -0.169 0.000 1.011 158 T HN 1.142 nan 8.240 nan 0.000 0.509 159 G N -0.005 108.264 108.800 -0.885 0.000 2.384 159 G HA2 0.424 4.383 3.960 -0.001 0.000 0.204 159 G HA3 0.424 4.383 3.960 -0.001 0.000 0.204 159 G C 0.126 174.818 174.900 -0.346 0.000 1.237 159 G CA -0.232 44.551 45.100 -0.528 0.000 1.060 159 G HN 1.835 nan 8.290 nan 0.000 0.514 160 G N -1.049 107.669 108.800 -0.136 0.000 2.447 160 G HA2 0.259 4.218 3.960 -0.001 0.000 0.220 160 G HA3 0.259 4.218 3.960 -0.001 0.000 0.220 160 G C -0.603 174.284 174.900 -0.022 0.000 1.261 160 G CA 0.323 45.373 45.100 -0.084 0.000 1.000 160 G HN 1.642 nan 8.290 nan 0.000 0.515 161 N N 0.181 118.875 118.700 -0.010 0.000 2.408 161 N HA 0.489 5.228 4.740 -0.001 0.000 0.257 161 N C -0.459 175.072 175.510 0.035 0.000 1.064 161 N CA 0.016 53.079 53.050 0.022 0.000 0.952 161 N CB 1.618 40.115 38.487 0.016 0.000 1.093 161 N HN 0.579 nan 8.380 nan 0.000 0.490 162 V N 2.628 122.585 119.914 0.072 0.000 2.531 162 V HA 0.247 4.366 4.120 -0.001 0.000 0.301 162 V C -0.407 175.743 176.094 0.093 0.000 1.034 162 V CA -0.908 61.450 62.300 0.096 0.000 0.865 162 V CB 2.123 34.046 31.823 0.166 0.000 0.995 162 V HN 0.467 nan 8.190 nan 0.000 0.424 163 D N 2.543 122.987 120.400 0.073 0.000 2.193 163 D HA 0.649 5.289 4.640 -0.001 0.000 0.249 163 D C -0.710 175.628 176.300 0.063 0.000 1.034 163 D CA -0.077 53.963 54.000 0.066 0.000 0.902 163 D CB 2.609 43.434 40.800 0.041 0.000 1.182 163 D HN 0.338 nan 8.370 nan 0.000 0.436 164 V N 1.299 121.252 119.914 0.065 0.000 2.808 164 V HA 0.190 4.309 4.120 -0.001 0.000 0.308 164 V C -1.436 174.679 176.094 0.033 0.000 1.099 164 V CA -0.816 61.518 62.300 0.056 0.000 0.920 164 V CB 2.372 34.250 31.823 0.093 0.000 1.014 164 V HN 0.430 nan 8.190 nan 0.000 0.425 165 D N 3.870 124.240 120.400 -0.051 0.000 2.312 165 D HA 0.404 5.044 4.640 -0.001 0.000 0.252 165 D C 0.726 177.062 176.300 0.059 0.000 1.150 165 D CA 0.655 54.565 54.000 -0.150 0.000 0.870 165 D CB 1.926 42.300 40.800 -0.710 0.000 1.153 165 D HN 0.782 nan 8.370 nan 0.000 0.457 166 G N 1.530 110.385 108.800 0.091 0.000 3.393 166 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.255 166 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.255 166 G C 1.145 176.133 174.900 0.146 0.000 1.097 166 G CA 0.195 45.387 45.100 0.153 0.000 0.780 166 G HN 0.457 nan 8.290 nan 0.000 0.540 167 S N -0.760 115.025 115.700 0.141 0.000 2.527 167 S HA 0.091 4.561 4.470 -0.001 0.000 0.222 167 S C 1.698 176.426 174.600 0.212 0.000 0.985 167 S CA 0.728 59.015 58.200 0.146 0.000 0.921 167 S CB 0.383 63.642 63.200 0.098 0.000 0.772 167 S HN 0.024 nan 8.310 nan 0.000 0.529 168 V N -0.212 119.882 119.914 0.300 0.000 3.013 168 V HA 0.403 4.522 4.120 -0.001 0.000 0.238 168 V C 0.729 176.884 176.094 0.102 0.000 1.161 168 V CA 0.729 63.211 62.300 0.302 0.000 1.170 168 V CB 0.774 32.852 31.823 0.426 0.000 0.917 168 V HN 0.505 nan 8.190 nan 0.000 0.478 169 S N -0.763 114.901 115.700 -0.060 0.000 2.546 169 S HA 0.319 4.788 4.470 -0.001 0.000 0.272 169 S C 0.811 175.194 174.600 -0.362 0.000 1.140 169 S CA 0.171 58.119 58.200 -0.420 0.000 0.920 169 S CB 2.013 64.569 63.200 -1.074 0.000 1.083 169 S HN 0.391 nan 8.310 nan 0.000 0.476 170 S N 3.477 119.048 115.700 -0.216 0.000 2.489 170 S HA -0.037 4.432 4.470 -0.001 0.000 0.228 170 S C 1.307 175.810 174.600 -0.162 0.000 0.995 170 S CA 0.391 58.533 58.200 -0.096 0.000 0.934 170 S CB -0.349 62.861 63.200 0.016 0.000 0.771 170 S HN 0.784 nan 8.310 nan 0.000 0.522 171 Q N -0.084 119.512 119.800 -0.340 0.000 2.291 171 Q HA -0.019 4.320 4.340 -0.001 0.000 0.205 171 Q C 1.256 177.199 176.000 -0.096 0.000 0.970 171 Q CA 1.150 56.801 55.803 -0.252 0.000 0.876 171 Q CB -0.352 28.207 28.738 -0.299 0.000 0.935 171 Q HN 0.642 nan 8.270 nan 0.000 0.455 172 F N 0.295 120.237 119.950 -0.013 0.000 2.113 172 F HA -0.161 4.365 4.527 -0.001 0.000 0.297 172 F C 2.067 177.842 175.800 -0.041 0.000 1.103 172 F CA 0.466 58.457 58.000 -0.014 0.000 1.248 172 F CB -1.034 37.989 39.000 0.039 0.000 0.999 172 F HN 0.082 nan 8.300 nan 0.000 0.475 173 L N -0.057 121.243 121.223 0.129 0.000 2.046 173 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 173 L C 2.255 179.075 176.870 -0.083 0.000 1.077 173 L CA 2.047 56.878 54.840 -0.016 0.000 0.747 173 L CB -1.411 40.610 42.059 -0.063 0.000 0.896 173 L HN 0.127 nan 8.230 nan 0.000 0.432 174 T N -0.147 114.374 114.554 -0.055 0.000 2.720 174 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 174 T C 1.880 176.544 174.700 -0.061 0.000 1.037 174 T CA 1.513 63.578 62.100 -0.059 0.000 1.144 174 T CB -0.466 68.382 68.868 -0.035 0.000 0.864 174 T HN 0.569 nan 8.240 nan 0.000 0.444 175 A N 0.833 123.630 122.820 -0.038 0.000 1.902 175 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 175 A C 2.285 179.810 177.584 -0.098 0.000 1.181 175 A CA 1.214 53.217 52.037 -0.056 0.000 0.623 175 A CB -0.752 18.239 19.000 -0.015 0.000 0.818 175 A HN 0.494 nan 8.150 nan 0.000 0.443 176 L N -0.773 120.395 121.223 -0.092 0.000 2.056 176 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 176 L C 2.546 179.353 176.870 -0.104 0.000 1.078 176 L CA 0.944 55.703 54.840 -0.135 0.000 0.749 176 L CB -0.504 41.509 42.059 -0.076 0.000 0.901 176 L HN 0.362 nan 8.230 nan 0.000 0.433 177 L N -0.946 120.217 121.223 -0.101 0.000 2.046 177 L HA -0.236 4.103 4.340 -0.001 0.000 0.208 177 L C 2.606 179.478 176.870 0.004 0.000 1.077 177 L CA 1.415 56.213 54.840 -0.070 0.000 0.747 177 L CB -0.366 41.616 42.059 -0.129 0.000 0.896 177 L HN 0.304 nan 8.230 nan 0.000 0.432 178 M N -1.423 118.170 119.600 -0.011 0.000 2.229 178 M HA -0.133 4.346 4.480 -0.001 0.000 0.264 178 M C 2.138 178.498 176.300 0.100 0.000 1.063 178 M CA 1.558 56.885 55.300 0.044 0.000 1.114 178 M CB -0.497 32.059 32.600 -0.072 0.000 1.387 178 M HN 0.178 nan 8.290 nan 0.000 0.420 179 T N 0.637 115.180 114.554 -0.019 0.000 2.809 179 T HA 0.061 4.410 4.350 -0.001 0.000 0.260 179 T C 2.020 176.715 174.700 -0.009 0.000 1.039 179 T CA 1.264 63.328 62.100 -0.061 0.000 1.141 179 T CB -0.271 68.444 68.868 -0.256 0.000 0.869 179 T HN 0.447 nan 8.240 nan 0.000 0.437 180 A N 2.335 125.153 122.820 -0.004 0.000 1.958 180 A HA -0.084 4.236 4.320 -0.001 0.000 0.221 180 A C 0.057 177.710 177.584 0.115 0.000 1.178 180 A CA 1.544 53.666 52.037 0.141 0.000 0.642 180 A CB -1.683 17.410 19.000 0.156 0.000 0.816 180 A HN 0.379 nan 8.150 nan 0.000 0.453 181 P HA -0.110 nan 4.420 nan 0.000 0.219 181 P C 0.996 178.265 177.300 -0.051 0.000 1.146 181 P CA 0.850 63.926 63.100 -0.039 0.000 0.808 181 P CB -0.090 31.509 31.700 -0.169 0.000 0.779 182 L N -2.560 118.660 121.223 -0.005 0.000 2.592 182 L HA 0.227 4.566 4.340 -0.001 0.000 0.227 182 L C 1.137 178.056 176.870 0.082 0.000 1.127 182 L CA -0.465 54.389 54.840 0.023 0.000 0.884 182 L CB -0.584 41.508 42.059 0.054 0.000 1.065 182 L HN -0.116 nan 8.230 nan 0.000 0.457 183 A N 1.285 124.183 122.820 0.130 0.000 2.351 183 A HA 0.308 4.627 4.320 -0.001 0.000 0.257 183 A C -1.252 176.378 177.584 0.077 0.000 1.087 183 A CA -1.044 51.091 52.037 0.165 0.000 0.798 183 A CB 0.005 19.177 19.000 0.288 0.000 1.033 183 A HN -0.035 nan 8.150 nan 0.000 0.488 184 P HA -0.040 nan 4.420 nan 0.000 0.219 184 P C 0.056 177.359 177.300 0.004 0.000 1.150 184 P CA 1.077 64.190 63.100 0.021 0.000 0.814 184 P CB 0.236 31.944 31.700 0.014 0.000 0.787 185 E N 0.613 120.805 120.200 -0.013 0.000 2.227 185 E HA 0.221 4.571 4.350 -0.001 0.000 0.268 185 E C -0.143 176.455 176.600 -0.004 0.000 0.990 185 E CA -0.766 55.620 56.400 -0.022 0.000 0.856 185 E CB 0.477 30.145 29.700 -0.055 0.000 1.159 185 E HN 0.024 nan 8.360 nan 0.000 0.401 186 D N 0.842 121.242 120.400 0.001 0.000 2.382 186 D HA 0.187 4.826 4.640 -0.001 0.000 0.240 186 D C -0.389 175.927 176.300 0.025 0.000 1.146 186 D CA 0.519 54.531 54.000 0.019 0.000 0.897 186 D CB 0.628 41.437 40.800 0.015 0.000 1.197 186 D HN 0.118 nan 8.370 nan 0.000 0.432 187 T N 0.446 115.037 114.554 0.061 0.000 2.861 187 T HA 0.442 4.792 4.350 -0.001 0.000 0.287 187 T C -0.434 174.325 174.700 0.097 0.000 1.003 187 T CA -0.675 61.477 62.100 0.086 0.000 0.977 187 T CB 1.603 70.573 68.868 0.169 0.000 0.996 187 T HN -0.022 nan 8.240 nan 0.000 0.448 188 V N 4.409 124.378 119.914 0.091 0.000 2.378 188 V HA 0.465 4.584 4.120 -0.001 0.000 0.288 188 V C -0.290 175.882 176.094 0.130 0.000 1.016 188 V CA -0.751 61.610 62.300 0.102 0.000 0.840 188 V CB 1.082 32.947 31.823 0.069 0.000 0.994 188 V HN 0.796 nan 8.190 nan 0.000 0.431 189 I N 5.655 126.335 120.570 0.183 0.000 2.312 189 I HA 0.485 4.655 4.170 -0.001 0.000 0.290 189 I C 0.308 176.566 176.117 0.235 0.000 1.008 189 I CA -0.305 61.114 61.300 0.198 0.000 1.226 189 I CB 0.907 39.023 38.000 0.194 0.000 1.371 189 I HN 0.393 nan 8.210 nan 0.000 0.468 190 R N 7.095 127.696 120.500 0.167 0.000 2.295 190 R HA 0.421 4.761 4.340 -0.001 0.000 0.324 190 R C -0.803 175.587 176.300 0.150 0.000 0.968 190 R CA -0.903 55.286 56.100 0.148 0.000 0.837 190 R CB 1.138 31.493 30.300 0.092 0.000 1.133 190 R HN 0.442 nan 8.270 nan 0.000 0.450 191 I N 5.671 126.351 120.570 0.184 0.000 2.471 191 I HA 0.032 4.202 4.170 -0.001 0.000 0.286 191 I C 1.627 177.803 176.117 0.099 0.000 1.079 191 I CA 0.119 61.516 61.300 0.163 0.000 1.398 191 I CB 0.835 38.969 38.000 0.222 0.000 1.403 191 I HN 0.502 nan 8.210 nan 0.000 0.530 192 K N 3.934 124.371 120.400 0.063 0.000 2.032 192 K HA -0.082 4.238 4.320 -0.001 0.000 0.209 192 K C 1.293 177.913 176.600 0.033 0.000 1.048 192 K CA 1.476 57.782 56.287 0.032 0.000 0.927 192 K CB 0.166 32.661 32.500 -0.007 0.000 0.712 192 K HN 0.904 nan 8.250 nan 0.000 0.441 193 G N 0.018 108.843 108.800 0.041 0.000 3.551 193 G HA2 0.046 4.005 3.960 -0.001 0.000 0.174 193 G HA3 0.046 4.005 3.960 -0.001 0.000 0.174 193 G C -1.141 173.795 174.900 0.060 0.000 1.280 193 G CA -0.490 44.635 45.100 0.041 0.000 1.236 193 G HN -0.015 nan 8.290 nan 0.000 0.731 194 D N 0.439 120.873 120.400 0.055 0.000 2.357 194 D HA 0.481 5.121 4.640 -0.001 0.000 0.242 194 D C -0.631 175.724 176.300 0.092 0.000 1.153 194 D CA 0.154 54.195 54.000 0.068 0.000 0.918 194 D CB 2.183 43.017 40.800 0.058 0.000 1.181 194 D HN 0.209 nan 8.370 nan 0.000 0.435 195 L N 1.911 123.194 121.223 0.100 0.000 2.372 195 L HA 0.312 4.652 4.340 -0.001 0.000 0.274 195 L C -0.639 176.290 176.870 0.098 0.000 0.988 195 L CA -0.811 54.101 54.840 0.120 0.000 0.833 195 L CB 1.418 43.577 42.059 0.167 0.000 1.236 195 L HN 0.205 nan 8.230 nan 0.000 0.410 196 V N 1.777 121.752 119.914 0.101 0.000 2.997 196 V HA 0.635 4.755 4.120 -0.001 0.000 0.311 196 V C 0.817 176.975 176.094 0.107 0.000 1.066 196 V CA -0.047 62.312 62.300 0.099 0.000 1.039 196 V CB 1.142 33.027 31.823 0.104 0.000 1.081 196 V HN 0.939 nan 8.190 nan 0.000 0.467 197 S N 0.658 116.439 115.700 0.134 0.000 3.614 197 S HA -0.198 4.272 4.470 -0.001 0.000 0.360 197 S C 1.160 175.891 174.600 0.218 0.000 1.023 197 S CA 1.273 59.603 58.200 0.218 0.000 1.114 197 S CB -1.410 61.914 63.200 0.207 0.000 0.907 197 S HN 0.992 nan 8.310 nan 0.000 0.470 198 K N 0.324 120.791 120.400 0.111 0.000 2.113 198 K HA -0.162 4.158 4.320 -0.001 0.000 0.208 198 K C -0.909 175.721 176.600 0.049 0.000 1.047 198 K CA 1.673 57.986 56.287 0.043 0.000 0.928 198 K CB -0.781 31.637 32.500 -0.137 0.000 0.716 198 K HN 0.399 nan 8.250 nan 0.000 0.446 199 P HA -0.157 nan 4.420 nan 0.000 0.219 199 P C 0.660 177.900 177.300 -0.101 0.000 1.146 199 P CA 1.170 64.228 63.100 -0.069 0.000 0.808 199 P CB -0.044 31.567 31.700 -0.149 0.000 0.779 200 Y N -1.332 119.001 120.300 0.054 0.000 2.439 200 Y HA -0.108 4.442 4.550 -0.001 0.000 0.292 200 Y C 2.179 178.113 175.900 0.057 0.000 1.130 200 Y CA 0.436 58.562 58.100 0.043 0.000 1.254 200 Y CB -0.656 37.812 38.460 0.013 0.000 1.000 200 Y HN -0.076 nan 8.280 nan 0.000 0.554 201 I N -0.154 120.545 120.570 0.215 0.000 2.315 201 I HA -0.241 3.928 4.170 -0.001 0.000 0.248 201 I C 1.663 177.900 176.117 0.199 0.000 1.117 201 I CA 1.262 62.679 61.300 0.194 0.000 1.404 201 I CB -1.007 37.163 38.000 0.282 0.000 1.071 201 I HN 0.245 nan 8.210 nan 0.000 0.419 202 D N 0.951 121.477 120.400 0.210 0.000 2.144 202 D HA -0.113 4.527 4.640 -0.001 0.000 0.199 202 D C 2.376 178.743 176.300 0.112 0.000 0.984 202 D CA 1.019 55.124 54.000 0.175 0.000 0.834 202 D CB 0.050 40.943 40.800 0.154 0.000 0.955 202 D HN 0.321 nan 8.370 nan 0.000 0.465 203 I N 0.854 121.475 120.570 0.085 0.000 2.179 203 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 203 I C 2.324 178.496 176.117 0.091 0.000 1.088 203 I CA 1.051 62.399 61.300 0.081 0.000 1.357 203 I CB -0.478 37.570 38.000 0.081 0.000 1.051 203 I HN -0.030 nan 8.210 nan 0.000 0.409 204 T N 1.581 116.189 114.554 0.090 0.000 2.684 204 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 204 T C 1.956 176.696 174.700 0.066 0.000 1.036 204 T CA 1.380 63.514 62.100 0.057 0.000 1.148 204 T CB -0.379 68.510 68.868 0.035 0.000 0.863 204 T HN 0.246 nan 8.240 nan 0.000 0.436 205 L N 1.387 122.663 121.223 0.088 0.000 2.093 205 L HA -0.094 4.245 4.340 -0.001 0.000 0.208 205 L C 2.764 179.696 176.870 0.103 0.000 1.085 205 L CA 0.906 55.805 54.840 0.099 0.000 0.755 205 L CB -0.632 41.495 42.059 0.113 0.000 0.904 205 L HN 0.292 nan 8.230 nan 0.000 0.435 206 N N 0.729 119.490 118.700 0.102 0.000 2.084 206 N HA -0.188 4.551 4.740 -0.001 0.000 0.190 206 N C 1.865 177.449 175.510 0.123 0.000 1.030 206 N CA 1.438 54.553 53.050 0.107 0.000 0.849 206 N CB -0.009 38.541 38.487 0.106 0.000 1.012 206 N HN 0.171 nan 8.380 nan 0.000 0.423 207 L N 0.947 122.239 121.223 0.115 0.000 2.046 207 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 207 L C 2.514 179.488 176.870 0.174 0.000 1.077 207 L CA 1.129 56.040 54.840 0.119 0.000 0.747 207 L CB -1.027 41.056 42.059 0.040 0.000 0.896 207 L HN 0.293 nan 8.230 nan 0.000 0.432 208 M N -0.629 119.052 119.600 0.135 0.000 2.108 208 M HA -0.271 4.209 4.480 -0.001 0.000 0.261 208 M C 2.245 178.703 176.300 0.262 0.000 1.066 208 M CA 1.700 57.136 55.300 0.227 0.000 1.107 208 M CB -0.329 32.402 32.600 0.218 0.000 1.356 208 M HN 0.125 nan 8.290 nan 0.000 0.406 209 K N -0.308 120.195 120.400 0.173 0.000 2.057 209 K HA -0.126 4.193 4.320 -0.001 0.000 0.206 209 K C 1.753 178.419 176.600 0.110 0.000 1.050 209 K CA 1.628 57.994 56.287 0.132 0.000 0.935 209 K CB -0.039 32.517 32.500 0.095 0.000 0.715 209 K HN 0.209 nan 8.250 nan 0.000 0.439 210 T N 0.443 115.054 114.554 0.095 0.000 2.759 210 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 210 T C 0.947 175.552 174.700 -0.159 0.000 1.042 210 T CA 1.302 63.384 62.100 -0.030 0.000 1.140 210 T CB -0.211 68.606 68.868 -0.084 0.000 0.864 210 T HN 0.181 nan 8.240 nan 0.000 0.455 211 F N 0.743 120.701 119.950 0.013 0.000 2.693 211 F HA 0.371 4.898 4.527 -0.001 0.000 0.303 211 F C 1.700 177.620 175.800 0.199 0.000 1.143 211 F CA -0.092 57.956 58.000 0.080 0.000 1.389 211 F CB -0.237 38.762 39.000 -0.001 0.000 1.060 211 F HN 0.269 nan 8.300 nan 0.000 0.535 212 G N 0.352 109.277 108.800 0.207 0.000 2.136 212 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.242 212 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.242 212 G C -0.374 174.594 174.900 0.112 0.000 0.989 212 G CA 0.052 45.235 45.100 0.139 0.000 0.682 212 G HN 0.186 nan 8.290 nan 0.000 0.522 213 V N 0.026 120.032 119.914 0.154 0.000 2.638 213 V HA 0.659 4.778 4.120 -0.001 0.000 0.306 213 V C -0.089 176.062 176.094 0.095 0.000 1.052 213 V CA -0.806 61.540 62.300 0.077 0.000 0.885 213 V CB 1.968 33.794 31.823 0.005 0.000 0.999 213 V HN 0.369 nan 8.190 nan 0.000 0.424 214 E N 3.387 123.620 120.200 0.055 0.000 2.277 214 E HA 0.784 5.134 4.350 -0.001 0.000 0.266 214 E C -1.252 175.379 176.600 0.052 0.000 0.901 214 E CA -0.741 55.694 56.400 0.058 0.000 0.782 214 E CB 2.972 32.696 29.700 0.040 0.000 1.228 214 E HN 0.661 nan 8.360 nan 0.000 0.424 215 I N -2.352 118.257 120.570 0.065 0.000 3.174 215 I HA 0.446 4.616 4.170 -0.001 0.000 0.313 215 I C -0.709 175.442 176.117 0.055 0.000 1.155 215 I CA -0.969 60.376 61.300 0.074 0.000 0.977 215 I CB 1.775 39.849 38.000 0.123 0.000 1.248 215 I HN 0.379 nan 8.210 nan 0.000 0.453 216 E N 2.281 122.508 120.200 0.044 0.000 2.081 216 E HA 0.244 4.593 4.350 -0.001 0.000 0.281 216 E C -1.077 175.476 176.600 -0.078 0.000 0.986 216 E CA -0.458 55.932 56.400 -0.017 0.000 0.796 216 E CB 0.588 30.276 29.700 -0.021 0.000 1.085 216 E HN 0.628 nan 8.360 nan 0.000 0.398 217 N N 4.604 123.196 118.700 -0.180 0.000 2.500 217 N HA 0.041 4.780 4.740 -0.001 0.000 0.236 217 N C -1.240 173.963 175.510 -0.511 0.000 1.022 217 N CA -0.235 52.532 53.050 -0.473 0.000 0.935 217 N CB 0.909 39.144 38.487 -0.420 0.000 1.147 217 N HN 0.504 nan 8.380 nan 0.000 0.512 218 Q N 2.824 122.319 119.800 -0.508 0.000 2.490 218 Q HA 0.142 4.482 4.340 -0.001 0.000 0.226 218 Q C -0.608 175.292 176.000 -0.167 0.000 1.132 218 Q CA -0.451 55.202 55.803 -0.250 0.000 0.928 218 Q CB -0.086 28.591 28.738 -0.102 0.000 1.299 218 Q HN 0.631 nan 8.270 nan 0.000 0.528 219 H N 0.215 119.137 119.070 -0.246 0.000 2.690 219 H HA -0.256 4.300 4.556 -0.001 0.000 0.309 219 H C -0.819 174.537 175.328 0.047 0.000 1.138 219 H CA 0.961 56.971 56.048 -0.064 0.000 1.142 219 H CB -2.393 27.365 29.762 -0.006 0.000 1.410 219 H HN 0.786 nan 8.280 nan 0.000 0.409 220 Y N -2.952 117.235 120.300 -0.189 0.000 4.236 220 Y HA -0.406 4.143 4.550 -0.001 0.000 0.220 220 Y C 1.609 177.520 175.900 0.017 0.000 1.115 220 Y CA 1.540 59.595 58.100 -0.076 0.000 1.811 220 Y CB -1.786 36.755 38.460 0.135 0.000 1.581 220 Y HN 0.643 nan 8.280 nan 0.000 0.643 221 Q N -0.761 119.037 119.800 -0.003 0.000 2.353 221 Q HA 0.147 4.486 4.340 -0.001 0.000 0.240 221 Q C 0.543 176.570 176.000 0.045 0.000 0.868 221 Q CA 0.456 56.308 55.803 0.082 0.000 0.944 221 Q CB 1.068 29.847 28.738 0.069 0.000 1.104 221 Q HN 0.562 nan 8.270 nan 0.000 0.531 222 Q N -0.240 119.463 119.800 -0.162 0.000 2.320 222 Q HA 0.410 4.749 4.340 -0.001 0.000 0.272 222 Q C -1.865 173.943 176.000 -0.320 0.000 1.023 222 Q CA -0.420 55.346 55.803 -0.061 0.000 0.855 222 Q CB 1.510 30.238 28.738 -0.016 0.000 1.367 222 Q HN -0.036 nan 8.270 nan 0.000 0.406 223 F N 2.060 122.029 119.950 0.030 0.000 2.477 223 F HA 0.502 5.029 4.527 -0.001 0.000 0.335 223 F C -0.520 175.294 175.800 0.024 0.000 1.130 223 F CA -0.831 57.178 58.000 0.015 0.000 0.948 223 F CB 1.947 40.960 39.000 0.022 0.000 1.154 223 F HN 0.223 nan 8.300 nan 0.000 0.439 224 V N 4.715 124.712 119.914 0.138 0.000 2.350 224 V HA 0.533 4.653 4.120 -0.001 0.000 0.276 224 V C -0.420 175.734 176.094 0.099 0.000 1.028 224 V CA -0.705 61.652 62.300 0.096 0.000 0.860 224 V CB 1.444 33.293 31.823 0.042 0.000 0.990 224 V HN 0.515 nan 8.190 nan 0.000 0.453 225 V N 5.331 125.303 119.914 0.098 0.000 2.448 225 V HA 0.443 4.563 4.120 -0.001 0.000 0.295 225 V C 0.020 176.147 176.094 0.055 0.000 1.025 225 V CA -1.133 61.216 62.300 0.081 0.000 0.859 225 V CB 1.797 33.679 31.823 0.100 0.000 0.988 225 V HN 0.770 nan 8.190 nan 0.000 0.431 226 K N 2.794 123.214 120.400 0.034 0.000 2.234 226 K HA 0.555 4.875 4.320 -0.001 0.000 0.282 226 K C 0.608 177.217 176.600 0.014 0.000 1.039 226 K CA -0.173 56.126 56.287 0.019 0.000 0.928 226 K CB 1.699 34.203 32.500 0.007 0.000 1.039 226 K HN 0.905 nan 8.250 nan 0.000 0.470 227 G N -0.166 108.644 108.800 0.017 0.000 2.588 227 G HA2 0.393 4.353 3.960 -0.001 0.000 0.281 227 G HA3 0.393 4.353 3.960 -0.001 0.000 0.281 227 G C 0.594 175.495 174.900 0.001 0.000 1.236 227 G CA -0.101 45.010 45.100 0.018 0.000 0.969 227 G HN 0.748 nan 8.290 nan 0.000 0.504 228 G N -1.623 107.179 108.800 0.004 0.000 2.179 228 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.257 228 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.257 228 G C 0.415 175.301 174.900 -0.024 0.000 1.010 228 G CA 0.839 45.938 45.100 -0.003 0.000 0.736 228 G HN 0.759 nan 8.290 nan 0.000 0.513 229 Q N -0.532 119.236 119.800 -0.053 0.000 2.237 229 Q HA 0.707 5.047 4.340 -0.001 0.000 0.219 229 Q C -0.166 175.765 176.000 -0.114 0.000 0.999 229 Q CA -0.144 55.600 55.803 -0.099 0.000 0.959 229 Q CB 1.344 29.988 28.738 -0.155 0.000 1.173 229 Q HN 0.250 nan 8.270 nan 0.000 0.527 230 S N -0.276 115.342 115.700 -0.136 0.000 2.540 230 S HA 0.420 4.889 4.470 -0.001 0.000 0.275 230 S C -1.560 173.000 174.600 -0.067 0.000 1.123 230 S CA -0.681 57.491 58.200 -0.046 0.000 0.907 230 S CB 0.643 63.844 63.200 0.003 0.000 1.081 230 S HN 0.330 nan 8.310 nan 0.000 0.476 231 Y N 1.847 122.251 120.300 0.174 0.000 2.304 231 Y HA 0.448 4.997 4.550 -0.001 0.000 0.327 231 Y C 0.801 176.851 175.900 0.250 0.000 1.209 231 Y CA -0.169 58.043 58.100 0.187 0.000 1.299 231 Y CB 0.710 39.256 38.460 0.143 0.000 1.249 231 Y HN 0.382 nan 8.280 nan 0.000 0.519 232 Q N 1.113 121.152 119.800 0.398 0.000 2.337 232 Q HA 0.239 4.578 4.340 -0.001 0.000 0.270 232 Q C -0.482 175.643 176.000 0.210 0.000 1.043 232 Q CA -0.799 55.160 55.803 0.261 0.000 0.794 232 Q CB 2.274 31.090 28.738 0.130 0.000 1.281 232 Q HN 0.703 nan 8.270 nan 0.000 0.446 233 S N 3.239 119.044 115.700 0.174 0.000 2.552 233 S HA 0.099 4.568 4.470 -0.001 0.000 0.289 233 S C -1.367 173.162 174.600 -0.118 0.000 1.304 233 S CA -0.555 57.676 58.200 0.051 0.000 1.063 233 S CB 0.360 63.611 63.200 0.086 0.000 0.848 233 S HN 0.411 nan 8.310 nan 0.000 0.499 234 P HA 0.259 nan 4.420 nan 0.000 0.257 234 P C 1.038 178.275 177.300 -0.105 0.000 1.281 234 P CA 0.661 63.606 63.100 -0.258 0.000 0.826 234 P CB -0.410 31.016 31.700 -0.457 0.000 1.237 235 G N 0.968 109.732 108.800 -0.060 0.000 2.650 235 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.264 235 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.264 235 G C -0.046 174.866 174.900 0.020 0.000 1.263 235 G CA 0.249 45.346 45.100 -0.004 0.000 0.960 235 G HN 0.532 nan 8.290 nan 0.000 0.548 236 T N -1.620 112.954 114.554 0.033 0.000 2.845 236 T HA 0.597 4.947 4.350 -0.001 0.000 0.288 236 T C -0.746 174.017 174.700 0.105 0.000 0.980 236 T CA 0.209 62.344 62.100 0.059 0.000 1.071 236 T CB 2.161 71.049 68.868 0.033 0.000 0.941 236 T HN 1.494 nan 8.240 nan 0.000 0.487 237 Y N 2.732 123.015 120.300 -0.028 0.000 2.386 237 Y HA 0.566 5.116 4.550 -0.001 0.000 0.334 237 Y C -1.542 174.357 175.900 -0.001 0.000 1.002 237 Y CA -1.782 56.300 58.100 -0.030 0.000 1.068 237 Y CB 1.656 40.092 38.460 -0.039 0.000 1.203 237 Y HN 0.839 nan 8.280 nan 0.000 0.443 238 L N 7.326 128.203 121.223 -0.577 0.000 2.257 238 L HA 0.578 4.917 4.340 -0.001 0.000 0.290 238 L C -1.251 175.281 176.870 -0.563 0.000 1.044 238 L CA -0.451 54.148 54.840 -0.400 0.000 0.810 238 L CB 0.841 42.744 42.059 -0.260 0.000 1.193 238 L HN 0.498 nan 8.230 nan 0.000 0.425 239 V N 5.516 125.297 119.914 -0.223 0.000 2.508 239 V HA 0.145 4.264 4.120 -0.001 0.000 0.281 239 V C 0.659 176.709 176.094 -0.073 0.000 1.041 239 V CA -0.526 61.735 62.300 -0.065 0.000 1.016 239 V CB 0.505 32.366 31.823 0.062 0.000 0.984 239 V HN 0.765 nan 8.190 nan 0.000 0.478 240 E N 2.839 123.011 120.200 -0.047 0.000 2.436 240 E HA 0.223 4.572 4.350 -0.001 0.000 0.262 240 E C 0.783 177.374 176.600 -0.015 0.000 1.063 240 E CA 0.230 56.613 56.400 -0.029 0.000 0.944 240 E CB 0.587 30.287 29.700 0.001 0.000 0.950 240 E HN 0.870 nan 8.360 nan 0.000 0.444 241 G N 1.460 110.251 108.800 -0.015 0.000 2.664 241 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.242 241 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.242 241 G C -0.287 174.602 174.900 -0.018 0.000 1.225 241 G CA -0.431 44.656 45.100 -0.021 0.000 0.849 241 G HN 0.502 nan 8.290 nan 0.000 0.581 242 D N 0.956 121.329 120.400 -0.045 0.000 2.336 242 D HA 0.306 4.946 4.640 -0.001 0.000 0.249 242 D C 1.253 177.537 176.300 -0.027 0.000 1.213 242 D CA 0.046 54.023 54.000 -0.039 0.000 0.870 242 D CB 1.409 42.161 40.800 -0.080 0.000 1.076 242 D HN 0.268 nan 8.370 nan 0.000 0.483 243 A N 3.114 125.926 122.820 -0.014 0.000 2.066 243 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 243 A C 2.153 179.675 177.584 -0.102 0.000 1.157 243 A CA 0.907 52.928 52.037 -0.026 0.000 0.670 243 A CB 0.107 19.110 19.000 0.004 0.000 0.804 243 A HN 0.540 nan 8.150 nan 0.000 0.453 244 S N 0.017 115.659 115.700 -0.097 0.000 2.377 244 S HA -0.078 4.391 4.470 -0.001 0.000 0.223 244 S C 2.189 176.642 174.600 -0.245 0.000 1.030 244 S CA 1.262 59.347 58.200 -0.192 0.000 0.970 244 S CB -0.221 62.938 63.200 -0.069 0.000 0.830 244 S HN 0.610 nan 8.310 nan 0.000 0.473 245 S N 1.953 117.623 115.700 -0.049 0.000 2.399 245 S HA -0.016 4.454 4.470 -0.001 0.000 0.231 245 S C 2.142 176.788 174.600 0.077 0.000 1.022 245 S CA 0.897 59.179 58.200 0.138 0.000 0.983 245 S CB -0.395 62.770 63.200 -0.059 0.000 0.803 245 S HN 0.598 nan 8.310 nan 0.000 0.480 246 A N 1.757 124.565 122.820 -0.019 0.000 2.015 246 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 246 A C 2.299 179.775 177.584 -0.179 0.000 1.163 246 A CA 1.593 53.663 52.037 0.056 0.000 0.646 246 A CB -0.821 18.209 19.000 0.050 0.000 0.806 246 A HN 0.611 nan 8.150 nan 0.000 0.448 247 S N -0.745 114.606 115.700 -0.581 0.000 2.383 247 S HA -0.246 4.224 4.470 -0.001 0.000 0.229 247 S C 1.805 175.943 174.600 -0.770 0.000 1.030 247 S CA 1.588 59.176 58.200 -1.021 0.000 1.002 247 S CB -0.895 61.184 63.200 -1.869 0.000 0.829 247 S HN 0.571 nan 8.310 nan 0.000 0.467 248 Y N 1.163 121.199 120.300 -0.440 0.000 2.181 248 Y HA 0.082 4.631 4.550 -0.001 0.000 0.288 248 Y C 2.130 177.897 175.900 -0.223 0.000 1.146 248 Y CA 0.691 58.562 58.100 -0.383 0.000 1.164 248 Y CB -0.971 37.178 38.460 -0.519 0.000 0.982 248 Y HN 0.256 nan 8.280 nan 0.000 0.515 249 F N -0.885 119.179 119.950 0.189 0.000 2.234 249 F HA -0.067 4.459 4.527 -0.001 0.000 0.296 249 F C 2.106 177.953 175.800 0.079 0.000 1.089 249 F CA 0.636 58.709 58.000 0.122 0.000 1.343 249 F CB -1.235 37.832 39.000 0.112 0.000 1.040 249 F HN -0.033 nan 8.300 nan 0.000 0.498 250 L N -0.280 121.081 121.223 0.229 0.000 2.056 250 L HA -0.148 4.191 4.340 -0.001 0.000 0.207 250 L C 2.720 179.691 176.870 0.170 0.000 1.078 250 L CA 1.178 56.126 54.840 0.179 0.000 0.749 250 L CB -1.067 41.113 42.059 0.202 0.000 0.901 250 L HN 0.141 nan 8.230 nan 0.000 0.433 251 A N 0.131 123.087 122.820 0.228 0.000 1.933 251 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 251 A C 2.546 180.177 177.584 0.078 0.000 1.175 251 A CA 1.641 53.786 52.037 0.180 0.000 0.628 251 A CB -0.675 18.471 19.000 0.243 0.000 0.814 251 A HN 0.394 nan 8.150 nan 0.000 0.444 252 A N -0.096 122.778 122.820 0.091 0.000 1.940 252 A HA 0.113 4.432 4.320 -0.001 0.000 0.219 252 A C 2.474 180.061 177.584 0.004 0.000 1.176 252 A CA 2.160 54.222 52.037 0.041 0.000 0.631 252 A CB -0.932 18.138 19.000 0.116 0.000 0.814 252 A HN 1.056 nan 8.150 nan 0.000 0.446 253 A N -0.292 122.552 122.820 0.040 0.000 1.930 253 A HA 0.230 4.550 4.320 -0.001 0.000 0.217 253 A C 2.471 180.046 177.584 -0.014 0.000 1.175 253 A CA 1.806 53.849 52.037 0.010 0.000 0.627 253 A CB -0.932 18.082 19.000 0.023 0.000 0.815 253 A HN 1.066 nan 8.150 nan 0.000 0.443 254 A N -0.222 122.593 122.820 -0.008 0.000 1.972 254 A HA -0.068 4.252 4.320 -0.001 0.000 0.219 254 A C 2.054 179.611 177.584 -0.046 0.000 1.169 254 A CA 1.621 53.644 52.037 -0.023 0.000 0.635 254 A CB -0.509 18.479 19.000 -0.020 0.000 0.810 254 A HN 0.517 nan 8.150 nan 0.000 0.446 255 I N -2.493 118.021 120.570 -0.094 0.000 2.494 255 I HA 0.023 4.193 4.170 -0.001 0.000 0.250 255 I C 1.692 177.697 176.117 -0.186 0.000 1.112 255 I CA 1.214 62.394 61.300 -0.200 0.000 1.438 255 I CB 0.231 37.957 38.000 -0.455 0.000 1.111 255 I HN 0.072 nan 8.210 nan 0.000 0.431 256 K N 0.598 120.912 120.400 -0.143 0.000 2.644 256 K HA 0.310 4.630 4.320 -0.001 0.000 0.198 256 K C 0.072 176.640 176.600 -0.053 0.000 1.113 256 K CA -0.120 56.104 56.287 -0.104 0.000 1.073 256 K CB 0.688 33.108 32.500 -0.133 0.000 0.811 256 K HN 0.147 nan 8.250 nan 0.000 0.508 257 G N -0.738 108.039 108.800 -0.039 0.000 2.543 257 G HA2 0.569 4.528 3.960 -0.001 0.000 0.290 257 G HA3 0.569 4.528 3.960 -0.001 0.000 0.290 257 G C 0.077 174.965 174.900 -0.019 0.000 1.310 257 G CA -0.091 44.995 45.100 -0.023 0.000 1.025 257 G HN 0.434 nan 8.290 nan 0.000 0.502 258 G N -2.170 106.621 108.800 -0.016 0.000 2.814 258 G HA2 0.223 4.182 3.960 -0.001 0.000 0.677 258 G HA3 0.223 4.182 3.960 -0.001 0.000 0.677 258 G C -0.345 174.546 174.900 -0.016 0.000 1.429 258 G CA -0.039 45.051 45.100 -0.017 0.000 0.868 258 G HN 1.201 nan 8.290 nan 0.000 0.553 259 T N 0.163 114.706 114.554 -0.020 0.000 2.841 259 T HA 0.594 4.943 4.350 -0.001 0.000 0.285 259 T C -0.149 174.537 174.700 -0.022 0.000 0.991 259 T CA -0.392 61.695 62.100 -0.021 0.000 0.966 259 T CB 1.910 70.761 68.868 -0.030 0.000 0.962 259 T HN 1.020 nan 8.240 nan 0.000 0.438 260 V N 3.931 123.840 119.914 -0.007 0.000 2.448 260 V HA 0.532 4.652 4.120 -0.001 0.000 0.295 260 V C -0.004 176.091 176.094 0.001 0.000 1.025 260 V CA -0.857 61.442 62.300 -0.001 0.000 0.859 260 V CB 1.766 33.616 31.823 0.046 0.000 0.988 260 V HN 0.723 nan 8.190 nan 0.000 0.431 261 K N 4.397 124.781 120.400 -0.025 0.000 2.244 261 K HA 0.754 5.074 4.320 -0.001 0.000 0.260 261 K C -0.940 175.666 176.600 0.010 0.000 0.951 261 K CA -0.536 55.742 56.287 -0.015 0.000 0.826 261 K CB 1.967 34.400 32.500 -0.113 0.000 1.108 261 K HN 0.596 nan 8.250 nan 0.000 0.433 262 V N 0.531 120.486 119.914 0.069 0.000 2.513 262 V HA 0.611 4.730 4.120 -0.001 0.000 0.299 262 V C -0.244 175.909 176.094 0.098 0.000 1.035 262 V CA -0.608 61.737 62.300 0.075 0.000 0.889 262 V CB 1.103 33.000 31.823 0.123 0.000 0.988 262 V HN 0.902 nan 8.190 nan 0.000 0.440 263 T N 0.327 114.922 114.554 0.069 0.000 2.940 263 T HA 0.818 5.168 4.350 -0.001 0.000 0.288 263 T C 0.883 175.616 174.700 0.055 0.000 1.033 263 T CA 0.090 62.241 62.100 0.086 0.000 1.033 263 T CB 1.373 70.277 68.868 0.060 0.000 1.079 263 T HN 2.434 nan 8.240 nan 0.000 0.496 264 G N 1.092 109.924 108.800 0.052 0.000 2.231 264 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.206 264 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.206 264 G C -0.026 174.888 174.900 0.024 0.000 0.996 264 G CA -0.055 45.059 45.100 0.024 0.000 0.645 264 G HN 1.474 nan 8.290 nan 0.000 0.498 265 I N -2.447 118.148 120.570 0.042 0.000 2.969 265 I HA 0.954 5.124 4.170 -0.001 0.000 0.307 265 I C 0.284 176.434 176.117 0.056 0.000 1.149 265 I CA -0.757 60.572 61.300 0.047 0.000 1.008 265 I CB 1.999 40.031 38.000 0.053 0.000 1.232 265 I HN 0.641 nan 8.210 nan 0.000 0.435 266 G N 2.921 111.774 108.800 0.088 0.000 2.650 266 G HA2 0.301 4.260 3.960 -0.001 0.000 0.310 266 G HA3 0.301 4.260 3.960 -0.001 0.000 0.310 266 G C 0.045 175.089 174.900 0.240 0.000 1.270 266 G CA -0.423 44.747 45.100 0.116 0.000 0.810 266 G HN 0.902 nan 8.290 nan 0.000 0.493 267 R N -0.515 120.111 120.500 0.210 0.000 2.193 267 R HA 0.014 4.353 4.340 -0.001 0.000 0.229 267 R C 0.928 177.196 176.300 -0.053 0.000 1.110 267 R CA 1.812 57.923 56.100 0.018 0.000 0.988 267 R CB -0.334 29.873 30.300 -0.155 0.000 0.871 267 R HN 0.384 nan 8.270 nan 0.000 0.458 268 N N 0.430 119.125 118.700 -0.007 0.000 2.280 268 N HA 0.062 4.802 4.740 -0.001 0.000 0.192 268 N C -0.623 174.891 175.510 0.006 0.000 1.109 268 N CA -0.129 52.911 53.050 -0.018 0.000 0.855 268 N CB 0.787 39.265 38.487 -0.015 0.000 0.974 268 N HN 0.034 nan 8.380 nan 0.000 0.482 269 S N 1.166 116.887 115.700 0.034 0.000 2.558 269 S HA -0.012 4.458 4.470 -0.001 0.000 0.288 269 S C 1.515 176.132 174.600 0.028 0.000 1.318 269 S CA -0.218 58.005 58.200 0.039 0.000 1.056 269 S CB 0.500 63.739 63.200 0.065 0.000 0.853 269 S HN 0.379 nan 8.310 nan 0.000 0.505 270 M N 1.350 120.967 119.600 0.028 0.000 2.492 270 M HA 0.112 4.592 4.480 -0.001 0.000 0.262 270 M C 0.202 176.499 176.300 -0.006 0.000 1.090 270 M CA 0.831 56.145 55.300 0.023 0.000 1.110 270 M CB -0.235 32.394 32.600 0.047 0.000 1.407 270 M HN 0.460 nan 8.290 nan 0.000 0.470 271 Q N 1.724 121.518 119.800 -0.009 0.000 2.297 271 Q HA 0.223 4.562 4.340 -0.001 0.000 0.267 271 Q C 1.247 177.201 176.000 -0.076 0.000 1.006 271 Q CA 0.044 55.810 55.803 -0.062 0.000 0.896 271 Q CB 1.285 30.006 28.738 -0.029 0.000 1.186 271 Q HN 0.551 nan 8.270 nan 0.000 0.392 272 G N 2.830 111.518 108.800 -0.186 0.000 2.470 272 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.220 272 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.220 272 G C 0.549 175.425 174.900 -0.041 0.000 1.121 272 G CA 0.351 45.379 45.100 -0.121 0.000 0.766 272 G HN 0.576 nan 8.290 nan 0.000 0.553 273 D N 0.382 120.747 120.400 -0.059 0.000 2.378 273 D HA -0.047 4.592 4.640 -0.001 0.000 0.227 273 D C 2.554 178.914 176.300 0.101 0.000 1.012 273 D CA 0.131 54.139 54.000 0.013 0.000 0.905 273 D CB -0.119 40.663 40.800 -0.032 0.000 0.895 273 D HN 0.627 nan 8.370 nan 0.000 0.532 274 I N -2.095 118.550 120.570 0.125 0.000 2.756 274 I HA -0.085 4.084 4.170 -0.001 0.000 0.262 274 I C 1.535 177.849 176.117 0.328 0.000 1.225 274 I CA 0.639 62.079 61.300 0.235 0.000 1.472 274 I CB -0.099 38.091 38.000 0.316 0.000 1.094 274 I HN -0.194 nan 8.210 nan 0.000 0.454 275 R N 0.716 121.365 120.500 0.247 0.000 2.328 275 R HA -0.070 4.269 4.340 -0.001 0.000 0.207 275 R C 1.886 178.323 176.300 0.227 0.000 1.056 275 R CA 0.821 57.072 56.100 0.251 0.000 1.016 275 R CB -0.876 29.571 30.300 0.245 0.000 0.872 275 R HN 0.484 nan 8.270 nan 0.000 0.471 276 F N 1.841 121.826 119.950 0.059 0.000 2.216 276 F HA -0.169 4.357 4.527 -0.001 0.000 0.300 276 F C 2.178 177.992 175.800 0.024 0.000 1.085 276 F CA 1.177 59.181 58.000 0.006 0.000 1.326 276 F CB -0.135 38.830 39.000 -0.058 0.000 1.027 276 F HN 0.018 nan 8.300 nan 0.000 0.497 277 A N 0.122 122.975 122.820 0.054 0.000 1.933 277 A HA -0.198 4.121 4.320 -0.001 0.000 0.218 277 A C 1.946 179.509 177.584 -0.036 0.000 1.175 277 A CA 1.938 53.933 52.037 -0.071 0.000 0.628 277 A CB -0.956 17.959 19.000 -0.142 0.000 0.814 277 A HN 0.447 nan 8.150 nan 0.000 0.444 278 D N -0.157 120.305 120.400 0.103 0.000 2.144 278 D HA -0.103 4.536 4.640 -0.001 0.000 0.199 278 D C 2.024 178.310 176.300 -0.023 0.000 0.984 278 D CA 1.424 55.480 54.000 0.092 0.000 0.834 278 D CB -0.441 40.433 40.800 0.123 0.000 0.955 278 D HN 0.269 nan 8.370 nan 0.000 0.465 279 V N 1.100 120.944 119.914 -0.118 0.000 2.358 279 V HA -0.186 3.934 4.120 -0.001 0.000 0.246 279 V C 2.643 178.601 176.094 -0.226 0.000 1.047 279 V CA 0.999 63.198 62.300 -0.168 0.000 1.035 279 V CB -0.480 31.202 31.823 -0.236 0.000 0.658 279 V HN 0.199 nan 8.190 nan 0.000 0.452 280 L N -0.071 120.935 121.223 -0.362 0.000 2.083 280 L HA -0.216 4.123 4.340 -0.001 0.000 0.209 280 L C 2.590 179.385 176.870 -0.125 0.000 1.083 280 L CA 1.961 56.642 54.840 -0.265 0.000 0.752 280 L CB -0.560 41.322 42.059 -0.295 0.000 0.899 280 L HN 0.445 nan 8.230 nan 0.000 0.433 281 E N 0.703 120.851 120.200 -0.086 0.000 2.072 281 E HA -0.227 4.122 4.350 -0.001 0.000 0.191 281 E C 2.104 178.691 176.600 -0.022 0.000 0.985 281 E CA 1.120 57.504 56.400 -0.027 0.000 0.801 281 E CB 0.161 29.875 29.700 0.023 0.000 0.750 281 E HN 0.377 nan 8.360 nan 0.000 0.452 282 K N -0.272 120.111 120.400 -0.030 0.000 2.209 282 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 282 K C 1.954 178.540 176.600 -0.023 0.000 1.048 282 K CA 1.215 57.490 56.287 -0.020 0.000 0.940 282 K CB -0.015 32.474 32.500 -0.018 0.000 0.729 282 K HN 0.262 nan 8.250 nan 0.000 0.451 283 M N -1.051 118.525 119.600 -0.039 0.000 2.558 283 M HA 0.038 4.517 4.480 -0.001 0.000 0.255 283 M C 0.959 177.250 176.300 -0.016 0.000 1.113 283 M CA 0.889 56.172 55.300 -0.027 0.000 1.097 283 M CB 0.786 33.363 32.600 -0.039 0.000 1.426 283 M HN 0.438 nan 8.290 nan 0.000 0.488 284 G N -0.068 108.721 108.800 -0.018 0.000 2.227 284 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.168 284 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.168 284 G C 0.096 174.989 174.900 -0.011 0.000 1.006 284 G CA -0.208 44.887 45.100 -0.009 0.000 0.684 284 G HN 0.596 nan 8.290 nan 0.000 0.489 285 A N 0.035 122.841 122.820 -0.024 0.000 2.287 285 A HA 0.789 5.109 4.320 -0.001 0.000 0.273 285 A C 0.469 178.043 177.584 -0.017 0.000 1.091 285 A CA 0.710 52.732 52.037 -0.025 0.000 0.817 285 A CB 0.617 19.590 19.000 -0.043 0.000 1.069 285 A HN 0.612 nan 8.150 nan 0.000 0.492 286 T N 2.048 116.594 114.554 -0.014 0.000 2.795 286 T HA 0.519 4.869 4.350 -0.001 0.000 0.282 286 T C -0.317 174.371 174.700 -0.020 0.000 0.980 286 T CA -0.042 62.055 62.100 -0.004 0.000 1.012 286 T CB 0.327 69.198 68.868 0.004 0.000 0.936 286 T HN 0.364 nan 8.240 nan 0.000 0.457 287 I N 2.091 122.652 120.570 -0.015 0.000 2.474 287 I HA 0.428 4.598 4.170 -0.001 0.000 0.294 287 I C -0.071 176.017 176.117 -0.049 0.000 1.005 287 I CA -0.753 60.494 61.300 -0.088 0.000 1.113 287 I CB 1.632 39.552 38.000 -0.133 0.000 1.289 287 I HN 0.663 nan 8.210 nan 0.000 0.436 288 C N 6.529 125.764 119.300 -0.109 0.000 2.408 288 C HA 0.677 5.136 4.460 -0.001 0.000 0.321 288 C C -1.083 173.834 174.990 -0.122 0.000 1.245 288 C CA -0.451 58.585 59.018 0.029 0.000 1.523 288 C CB 0.508 28.343 27.740 0.159 0.000 2.178 288 C HN 0.764 nan 8.230 nan 0.000 0.488 289 W N 4.065 125.332 121.300 -0.055 0.000 2.606 289 W HA 0.647 5.307 4.660 -0.001 0.000 0.332 289 W C 0.451 176.670 176.519 -0.499 0.000 1.052 289 W CA 0.079 57.277 57.345 -0.244 0.000 1.223 289 W CB 1.856 31.229 29.460 -0.145 0.000 1.383 289 W HN 1.042 nan 8.180 nan 0.000 0.524 290 G N 0.479 108.856 108.800 -0.706 0.000 3.015 290 G HA2 0.211 4.170 3.960 -0.001 0.000 0.281 290 G HA3 0.211 4.170 3.960 -0.001 0.000 0.281 290 G C -0.442 174.282 174.900 -0.293 0.000 1.386 290 G CA -0.405 44.232 45.100 -0.771 0.000 0.959 290 G HN 0.423 nan 8.290 nan 0.000 0.522 291 D N -1.538 118.781 120.400 -0.136 0.000 2.123 291 D HA -0.063 4.577 4.640 -0.001 0.000 0.200 291 D C 0.871 177.159 176.300 -0.021 0.000 0.976 291 D CA 1.315 55.292 54.000 -0.039 0.000 0.831 291 D CB 0.319 41.121 40.800 0.004 0.000 0.974 291 D HN 0.233 nan 8.370 nan 0.000 0.469 292 D N -1.602 118.799 120.400 0.003 0.000 2.650 292 D HA 0.132 4.771 4.640 -0.001 0.000 0.265 292 D C -1.261 175.115 176.300 0.128 0.000 1.339 292 D CA -0.452 53.582 54.000 0.057 0.000 0.816 292 D CB 0.129 40.974 40.800 0.074 0.000 1.091 292 D HN 0.340 nan 8.370 nan 0.000 0.483 293 Y N -1.749 118.576 120.300 0.041 0.000 2.656 293 Y HA 0.609 5.158 4.550 -0.001 0.000 0.334 293 Y C -1.782 174.108 175.900 -0.017 0.000 1.179 293 Y CA -1.451 56.653 58.100 0.007 0.000 1.050 293 Y CB 0.932 39.387 38.460 -0.008 0.000 1.308 293 Y HN -0.221 nan 8.280 nan 0.000 0.456 294 I N 2.803 123.414 120.570 0.068 0.000 2.582 294 I HA 0.628 4.798 4.170 -0.001 0.000 0.292 294 I C -0.857 175.290 176.117 0.051 0.000 1.066 294 I CA -0.836 60.361 61.300 -0.171 0.000 1.053 294 I CB 2.505 40.267 38.000 -0.398 0.000 1.241 294 I HN 0.835 nan 8.210 nan 0.000 0.421 295 S N 4.343 120.052 115.700 0.016 0.000 2.568 295 S HA 0.708 5.177 4.470 -0.001 0.000 0.293 295 S C -1.081 173.483 174.600 -0.060 0.000 1.089 295 S CA -0.697 57.517 58.200 0.024 0.000 0.945 295 S CB 2.093 65.331 63.200 0.063 0.000 1.077 295 S HN 0.771 nan 8.310 nan 0.000 0.485 296 C N 2.438 121.719 119.300 -0.031 0.000 2.441 296 C HA 0.840 5.300 4.460 -0.001 0.000 0.318 296 C C -0.400 174.580 174.990 -0.016 0.000 1.222 296 C CA 0.086 59.083 59.018 -0.035 0.000 1.474 296 C CB 0.495 28.222 27.740 -0.022 0.000 2.125 296 C HN 0.999 nan 8.230 nan 0.000 0.479 297 T N 4.533 119.076 114.554 -0.018 0.000 2.829 297 T HA 0.439 4.788 4.350 -0.001 0.000 0.280 297 T C -0.363 174.329 174.700 -0.013 0.000 0.999 297 T CA -0.414 61.679 62.100 -0.013 0.000 0.983 297 T CB 1.170 70.033 68.868 -0.009 0.000 0.968 297 T HN 0.821 nan 8.240 nan 0.000 0.446 298 R N 1.825 122.316 120.500 -0.013 0.000 2.537 298 R HA 0.394 4.734 4.340 -0.001 0.000 0.281 298 R C 0.761 177.055 176.300 -0.009 0.000 0.988 298 R CA 0.767 56.858 56.100 -0.014 0.000 1.077 298 R CB -0.306 29.984 30.300 -0.017 0.000 0.932 298 R HN 0.838 nan 8.270 nan 0.000 0.409 299 G N 2.927 111.723 108.800 -0.007 0.000 2.890 299 G HA2 0.252 4.212 3.960 -0.001 0.000 0.199 299 G HA3 0.252 4.212 3.960 -0.001 0.000 0.199 299 G C -0.864 174.037 174.900 0.002 0.000 1.729 299 G CA -0.326 44.773 45.100 -0.002 0.000 0.767 299 G HN 0.575 nan 8.290 nan 0.000 0.804 300 E N -0.990 119.212 120.200 0.003 0.000 2.339 300 E HA 0.666 5.016 4.350 -0.001 0.000 0.262 300 E C -1.804 174.802 176.600 0.010 0.000 0.934 300 E CA -0.750 55.656 56.400 0.010 0.000 0.802 300 E CB 2.871 32.577 29.700 0.010 0.000 1.275 300 E HN 0.134 nan 8.360 nan 0.000 0.427 301 L N 2.274 123.510 121.223 0.022 0.000 2.518 301 L HA 0.346 4.686 4.340 -0.001 0.000 0.262 301 L C -1.705 175.185 176.870 0.033 0.000 0.982 301 L CA -0.302 54.555 54.840 0.028 0.000 0.873 301 L CB 0.998 43.088 42.059 0.051 0.000 1.198 301 L HN 0.383 nan 8.230 nan 0.000 0.427 302 N N 3.016 121.727 118.700 0.019 0.000 2.361 302 N HA 0.665 5.405 4.740 -0.001 0.000 0.302 302 N C -0.202 175.316 175.510 0.014 0.000 1.074 302 N CA -0.462 52.599 53.050 0.017 0.000 0.850 302 N CB 2.229 40.722 38.487 0.010 0.000 1.228 302 N HN 0.644 nan 8.380 nan 0.000 0.491 303 A N 1.354 124.184 122.820 0.016 0.000 2.507 303 A HA 0.376 4.695 4.320 -0.001 0.000 0.235 303 A C 0.290 177.877 177.584 0.006 0.000 1.070 303 A CA 0.195 52.241 52.037 0.014 0.000 0.768 303 A CB -0.349 18.659 19.000 0.013 0.000 1.011 303 A HN 0.674 nan 8.150 nan 0.000 0.502 304 I N -2.009 118.564 120.570 0.006 0.000 3.042 304 I HA 0.744 4.914 4.170 -0.001 0.000 0.310 304 I C -0.919 175.199 176.117 0.002 0.000 1.117 304 I CA -0.940 60.361 61.300 0.001 0.000 1.003 304 I CB 2.379 40.377 38.000 -0.003 0.000 1.228 304 I HN 0.384 nan 8.210 nan 0.000 0.443 305 D N 4.194 124.591 120.400 -0.004 0.000 2.402 305 D HA 0.592 5.232 4.640 -0.001 0.000 0.252 305 D C -1.425 174.870 176.300 -0.009 0.000 1.294 305 D CA -0.101 53.892 54.000 -0.012 0.000 0.948 305 D CB 0.957 41.743 40.800 -0.024 0.000 1.202 305 D HN 0.696 nan 8.370 nan 0.000 0.561 306 M N 1.402 121.002 119.600 0.001 0.000 2.531 306 M HA 0.231 4.710 4.480 -0.001 0.000 0.286 306 M C -0.792 175.524 176.300 0.026 0.000 1.232 306 M CA -1.030 54.282 55.300 0.019 0.000 0.877 306 M CB 2.570 35.200 32.600 0.049 0.000 1.726 306 M HN 0.125 nan 8.290 nan 0.000 0.463 307 D N 2.796 123.220 120.400 0.041 0.000 2.343 307 D HA 0.170 4.810 4.640 -0.001 0.000 0.255 307 D C -0.201 176.188 176.300 0.148 0.000 1.187 307 D CA 0.156 54.190 54.000 0.056 0.000 0.875 307 D CB 0.937 41.761 40.800 0.040 0.000 1.136 307 D HN 0.476 nan 8.370 nan 0.000 0.469 308 M N 3.479 123.133 119.600 0.090 0.000 2.560 308 M HA 0.027 4.506 4.480 -0.001 0.000 0.297 308 M C 1.324 177.653 176.300 0.048 0.000 1.201 308 M CA -0.230 55.106 55.300 0.060 0.000 0.973 308 M CB -0.722 31.875 32.600 -0.006 0.000 1.401 308 M HN 0.473 nan 8.290 nan 0.000 0.497 309 N N 1.446 120.235 118.700 0.147 0.000 2.289 309 N HA -0.191 4.548 4.740 -0.001 0.000 0.184 309 N C 1.432 177.041 175.510 0.165 0.000 1.016 309 N CA 1.175 54.304 53.050 0.131 0.000 0.872 309 N CB 0.090 38.648 38.487 0.119 0.000 0.973 309 N HN 0.534 nan 8.380 nan 0.000 0.433 310 H N 0.076 119.183 119.070 0.061 0.000 2.548 310 H HA 0.050 4.605 4.556 -0.001 0.000 0.268 310 H C 0.992 176.371 175.328 0.084 0.000 0.975 310 H CA 0.342 56.423 56.048 0.055 0.000 1.195 310 H CB -0.228 29.544 29.762 0.017 0.000 1.397 310 H HN 0.337 nan 8.280 nan 0.000 0.572 311 I N -1.698 118.693 120.570 -0.299 0.000 2.908 311 I HA 0.281 4.450 4.170 -0.001 0.000 0.319 311 I C -2.362 173.779 176.117 0.040 0.000 1.471 311 I CA -1.989 59.227 61.300 -0.140 0.000 0.809 311 I CB 1.768 39.617 38.000 -0.252 0.000 2.186 311 I HN -0.271 nan 8.210 nan 0.000 0.607 312 P HA -0.139 nan 4.420 nan 0.000 0.218 312 P C 0.520 177.995 177.300 0.290 0.000 1.148 312 P CA 1.443 64.730 63.100 0.311 0.000 0.822 312 P CB 0.446 32.319 31.700 0.289 0.000 0.784 313 D N 0.239 120.708 120.400 0.114 0.000 2.106 313 D HA -0.006 4.633 4.640 -0.001 0.000 0.203 313 D C 2.254 178.489 176.300 -0.107 0.000 0.977 313 D CA 1.529 55.504 54.000 -0.041 0.000 0.844 313 D CB -1.072 39.714 40.800 -0.024 0.000 1.002 313 D HN 0.056 nan 8.370 nan 0.000 0.461 314 A N 1.007 123.755 122.820 -0.120 0.000 2.019 314 A HA -0.025 4.294 4.320 -0.001 0.000 0.219 314 A C 2.213 179.753 177.584 -0.072 0.000 1.164 314 A CA 1.888 53.741 52.037 -0.307 0.000 0.644 314 A CB -0.644 18.149 19.000 -0.345 0.000 0.805 314 A HN 0.216 nan 8.150 nan 0.000 0.449 315 A N -0.257 122.643 122.820 0.133 0.000 1.978 315 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 315 A C 2.151 179.932 177.584 0.327 0.000 1.170 315 A CA 1.768 53.970 52.037 0.275 0.000 0.636 315 A CB -0.587 18.603 19.000 0.317 0.000 0.810 315 A HN 0.570 nan 8.150 nan 0.000 0.448 316 M N -0.750 118.965 119.600 0.191 0.000 2.202 316 M HA -0.134 4.345 4.480 -0.001 0.000 0.262 316 M C 2.039 178.347 176.300 0.013 0.000 1.063 316 M CA 1.882 57.185 55.300 0.004 0.000 1.097 316 M CB -0.738 31.628 32.600 -0.389 0.000 1.382 316 M HN 0.405 nan 8.290 nan 0.000 0.413 317 T N 0.899 115.428 114.554 -0.041 0.000 2.867 317 T HA -0.042 4.307 4.350 -0.001 0.000 0.268 317 T C 1.751 176.535 174.700 0.139 0.000 1.057 317 T CA 0.884 62.963 62.100 -0.035 0.000 1.136 317 T CB -0.114 68.535 68.868 -0.365 0.000 0.874 317 T HN 0.233 nan 8.240 nan 0.000 0.466 318 I N 1.646 122.365 120.570 0.248 0.000 2.493 318 I HA -0.032 4.137 4.170 -0.001 0.000 0.254 318 I C 2.833 179.027 176.117 0.129 0.000 1.160 318 I CA 0.627 62.047 61.300 0.201 0.000 1.445 318 I CB -1.549 36.556 38.000 0.175 0.000 1.086 318 I HN 0.184 nan 8.210 nan 0.000 0.433 319 A N 1.195 124.097 122.820 0.135 0.000 1.933 319 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 319 A C 2.397 179.976 177.584 -0.009 0.000 1.175 319 A CA 2.484 54.581 52.037 0.100 0.000 0.628 319 A CB -0.970 18.140 19.000 0.184 0.000 0.814 319 A HN 0.529 nan 8.150 nan 0.000 0.444 320 T N -2.898 111.603 114.554 -0.088 0.000 3.014 320 T HA 0.318 4.668 4.350 -0.001 0.000 0.263 320 T C 1.907 176.631 174.700 0.040 0.000 1.078 320 T CA 1.063 63.060 62.100 -0.172 0.000 1.135 320 T CB -0.304 68.322 68.868 -0.404 0.000 0.895 320 T HN 0.492 nan 8.240 nan 0.000 0.480 321 A N 1.834 124.726 122.820 0.120 0.000 2.019 321 A HA 0.359 4.679 4.320 -0.001 0.000 0.219 321 A C 2.711 180.423 177.584 0.213 0.000 1.164 321 A CA 1.502 53.679 52.037 0.235 0.000 0.644 321 A CB -1.255 17.844 19.000 0.166 0.000 0.805 321 A HN 0.707 nan 8.150 nan 0.000 0.449 322 A N -0.185 122.694 122.820 0.099 0.000 2.076 322 A HA -0.029 4.291 4.320 -0.001 0.000 0.220 322 A C 1.972 179.554 177.584 -0.003 0.000 1.160 322 A CA 1.311 53.380 52.037 0.054 0.000 0.653 322 A CB -0.591 18.430 19.000 0.036 0.000 0.801 322 A HN 0.509 nan 8.150 nan 0.000 0.455 323 L N -2.315 118.857 121.223 -0.086 0.000 2.265 323 L HA -0.096 4.244 4.340 -0.001 0.000 0.215 323 L C 1.497 178.104 176.870 -0.439 0.000 1.117 323 L CA 0.892 55.546 54.840 -0.310 0.000 0.782 323 L CB -0.316 41.426 42.059 -0.527 0.000 0.914 323 L HN 0.453 nan 8.230 nan 0.000 0.441 324 F N -0.577 119.377 119.950 0.006 0.000 2.678 324 F HA 0.337 4.864 4.527 -0.001 0.000 0.305 324 F C 1.265 177.070 175.800 0.009 0.000 1.090 324 F CA -0.438 57.568 58.000 0.011 0.000 1.272 324 F CB 0.019 39.027 39.000 0.013 0.000 1.060 324 F HN -0.119 nan 8.300 nan 0.000 0.576 325 A N 0.754 123.653 122.820 0.132 0.000 2.264 325 A HA 0.430 4.749 4.320 -0.001 0.000 0.304 325 A C -0.045 177.568 177.584 0.049 0.000 1.100 325 A CA -0.637 51.452 52.037 0.086 0.000 0.839 325 A CB 0.568 19.607 19.000 0.064 0.000 1.121 325 A HN 0.150 nan 8.150 nan 0.000 0.496 326 K N 0.738 121.162 120.400 0.040 0.000 2.285 326 K HA 0.489 4.808 4.320 -0.001 0.000 0.286 326 K C 0.353 176.964 176.600 0.019 0.000 1.072 326 K CA 0.878 57.181 56.287 0.027 0.000 0.913 326 K CB 0.048 32.564 32.500 0.026 0.000 1.067 326 K HN 1.696 nan 8.250 nan 0.000 0.479 327 G N 1.924 110.732 108.800 0.013 0.000 2.592 327 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.684 327 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.684 327 G C -0.915 173.991 174.900 0.010 0.000 1.291 327 G CA -0.946 44.160 45.100 0.010 0.000 0.891 327 G HN 0.492 nan 8.290 nan 0.000 0.544 328 T N 1.530 116.090 114.554 0.009 0.000 2.771 328 T HA 0.615 4.964 4.350 -0.001 0.000 0.291 328 T C 0.413 175.121 174.700 0.014 0.000 0.954 328 T CA 0.340 62.447 62.100 0.012 0.000 1.045 328 T CB 1.228 70.104 68.868 0.013 0.000 0.917 328 T HN 0.705 nan 8.240 nan 0.000 0.484 329 T N 3.642 118.208 114.554 0.020 0.000 2.837 329 T HA 0.507 4.857 4.350 -0.001 0.000 0.285 329 T C 0.039 174.756 174.700 0.028 0.000 0.984 329 T CA -0.416 61.697 62.100 0.022 0.000 1.049 329 T CB 0.919 69.805 68.868 0.030 0.000 0.947 329 T HN 0.507 nan 8.240 nan 0.000 0.472 330 T N 4.185 118.751 114.554 0.019 0.000 2.841 330 T HA 0.532 4.882 4.350 -0.001 0.000 0.285 330 T C -0.603 174.103 174.700 0.009 0.000 0.991 330 T CA -0.617 61.496 62.100 0.021 0.000 0.966 330 T CB 0.599 69.458 68.868 -0.014 0.000 0.962 330 T HN 0.334 nan 8.240 nan 0.000 0.438 331 L N 3.980 125.207 121.223 0.006 0.000 2.298 331 L HA 0.612 4.952 4.340 -0.001 0.000 0.284 331 L C 0.365 177.200 176.870 -0.060 0.000 1.013 331 L CA -0.889 53.925 54.840 -0.043 0.000 0.824 331 L CB 1.381 43.384 42.059 -0.093 0.000 1.221 331 L HN 0.381 nan 8.230 nan 0.000 0.418 332 R N 1.722 122.194 120.500 -0.046 0.000 2.828 332 R HA 0.386 4.726 4.340 -0.001 0.000 0.264 332 R C 0.024 176.298 176.300 -0.043 0.000 1.022 332 R CA -1.105 54.981 56.100 -0.022 0.000 1.021 332 R CB 0.796 31.076 30.300 -0.034 0.000 1.163 332 R HN 0.584 nan 8.270 nan 0.000 0.494 333 N N 1.188 119.884 118.700 -0.006 0.000 2.738 333 N HA -0.149 4.590 4.740 -0.001 0.000 0.249 333 N C -0.567 174.914 175.510 -0.049 0.000 1.047 333 N CA 0.672 53.725 53.050 0.006 0.000 0.707 333 N CB -0.852 37.652 38.487 0.028 0.000 0.937 333 N HN 0.644 nan 8.380 nan 0.000 0.545 334 I N -3.307 117.167 120.570 -0.160 0.000 3.326 334 I HA 0.216 4.385 4.170 -0.001 0.000 0.336 334 I C 1.357 177.318 176.117 -0.261 0.000 1.543 334 I CA -0.894 60.200 61.300 -0.343 0.000 1.013 334 I CB -0.243 37.180 38.000 -0.962 0.000 1.468 334 I HN 0.079 nan 8.210 nan 0.000 0.515 335 Y N 4.117 124.321 120.300 -0.159 0.000 2.151 335 Y HA -0.333 4.216 4.550 -0.001 0.000 0.284 335 Y C 2.334 178.220 175.900 -0.025 0.000 1.166 335 Y CA 2.543 60.562 58.100 -0.136 0.000 1.163 335 Y CB -0.149 38.255 38.460 -0.094 0.000 0.974 335 Y HN 0.641 nan 8.280 nan 0.000 0.511 336 N N -1.041 117.602 118.700 -0.094 0.000 2.571 336 N HA -0.196 4.544 4.740 -0.001 0.000 0.189 336 N C 1.123 176.620 175.510 -0.021 0.000 1.154 336 N CA 0.966 53.939 53.050 -0.128 0.000 0.907 336 N CB -1.332 37.194 38.487 0.065 0.000 0.977 336 N HN 0.410 nan 8.380 nan 0.000 0.449 337 W N 1.658 122.819 121.300 -0.231 0.000 2.341 337 W HA 0.027 4.687 4.660 -0.001 0.000 0.283 337 W C 1.957 178.341 176.519 -0.226 0.000 1.215 337 W CA 0.642 57.877 57.345 -0.184 0.000 1.211 337 W CB -0.331 29.038 29.460 -0.151 0.000 1.131 337 W HN 0.218 nan 8.180 nan 0.000 0.552 338 R N -0.188 120.228 120.500 -0.140 0.000 2.237 338 R HA -0.057 4.282 4.340 -0.001 0.000 0.219 338 R C 1.358 177.579 176.300 -0.132 0.000 1.080 338 R CA 1.479 57.463 56.100 -0.194 0.000 0.995 338 R CB -0.519 29.538 30.300 -0.404 0.000 0.875 338 R HN 0.210 nan 8.270 nan 0.000 0.462 339 V N -2.551 117.290 119.914 -0.122 0.000 3.085 339 V HA 0.281 4.401 4.120 -0.001 0.000 0.345 339 V C 0.451 176.532 176.094 -0.021 0.000 1.397 339 V CA -0.350 61.929 62.300 -0.036 0.000 1.165 339 V CB -0.088 31.741 31.823 0.010 0.000 1.153 339 V HN -0.014 nan 8.190 nan 0.000 0.495 340 K N 0.383 120.757 120.400 -0.043 0.000 2.385 340 K HA 0.456 4.776 4.320 -0.001 0.000 0.274 340 K C 1.151 177.731 176.600 -0.033 0.000 0.981 340 K CA -0.159 56.098 56.287 -0.049 0.000 1.400 340 K CB 0.381 32.832 32.500 -0.083 0.000 2.019 340 K HN 0.020 nan 8.250 nan 0.000 0.855 341 E N 0.324 120.506 120.200 -0.030 0.000 2.130 341 E HA -0.140 4.209 4.350 -0.001 0.000 0.196 341 E C 0.534 177.141 176.600 0.012 0.000 0.998 341 E CA 1.309 57.715 56.400 0.009 0.000 0.806 341 E CB 0.089 29.828 29.700 0.064 0.000 0.738 341 E HN 0.314 nan 8.360 nan 0.000 0.459 342 T N -1.660 112.881 114.554 -0.020 0.000 2.754 342 T HA 0.117 4.466 4.350 -0.001 0.000 0.296 342 T C -1.895 172.780 174.700 -0.042 0.000 1.205 342 T CA -0.882 61.218 62.100 -0.001 0.000 1.009 342 T CB 1.261 70.146 68.868 0.029 0.000 1.368 342 T HN -0.111 nan 8.240 nan 0.000 0.509 343 D N 1.118 121.508 120.400 -0.017 0.000 2.359 343 D HA 0.223 4.862 4.640 -0.001 0.000 0.250 343 D C 1.131 177.412 176.300 -0.031 0.000 1.264 343 D CA -0.027 53.968 54.000 -0.010 0.000 0.911 343 D CB 0.596 41.412 40.800 0.027 0.000 1.056 343 D HN 0.415 nan 8.370 nan 0.000 0.499 344 R N 2.646 123.107 120.500 -0.064 0.000 2.148 344 R HA 0.005 4.345 4.340 -0.001 0.000 0.223 344 R C 1.974 178.337 176.300 0.106 0.000 1.088 344 R CA 0.588 56.595 56.100 -0.155 0.000 0.985 344 R CB 0.208 30.215 30.300 -0.489 0.000 0.880 344 R HN 0.461 nan 8.270 nan 0.000 0.451 345 L N -0.574 120.823 121.223 0.291 0.000 2.027 345 L HA -0.151 4.189 4.340 -0.001 0.000 0.206 345 L C 2.180 179.121 176.870 0.118 0.000 1.074 345 L CA 1.093 56.098 54.840 0.274 0.000 0.745 345 L CB -0.372 41.753 42.059 0.110 0.000 0.898 345 L HN 0.124 nan 8.230 nan 0.000 0.433 346 F N 0.760 120.689 119.950 -0.035 0.000 2.102 346 F HA -0.243 4.284 4.527 -0.001 0.000 0.298 346 F C 2.382 178.101 175.800 -0.136 0.000 1.105 346 F CA 1.355 59.318 58.000 -0.062 0.000 1.239 346 F CB -0.348 38.618 39.000 -0.057 0.000 0.991 346 F HN 0.002 nan 8.300 nan 0.000 0.474 347 A N 0.172 122.776 122.820 -0.360 0.000 1.873 347 A HA -0.191 4.128 4.320 -0.001 0.000 0.215 347 A C 2.196 179.506 177.584 -0.457 0.000 1.186 347 A CA 1.901 53.455 52.037 -0.804 0.000 0.616 347 A CB -0.949 17.302 19.000 -1.248 0.000 0.823 347 A HN 0.502 nan 8.150 nan 0.000 0.442 348 M N 0.384 119.861 119.600 -0.205 0.000 2.086 348 M HA -0.039 4.441 4.480 -0.001 0.000 0.261 348 M C 2.149 178.466 176.300 0.029 0.000 1.067 348 M CA 1.764 57.081 55.300 0.029 0.000 1.116 348 M CB -0.744 31.944 32.600 0.147 0.000 1.348 348 M HN 0.375 nan 8.290 nan 0.000 0.407 349 A N -1.272 121.515 122.820 -0.056 0.000 1.902 349 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 349 A C 2.214 179.712 177.584 -0.144 0.000 1.181 349 A CA 2.355 54.349 52.037 -0.071 0.000 0.623 349 A CB -1.430 17.517 19.000 -0.088 0.000 0.818 349 A HN 0.570 nan 8.150 nan 0.000 0.443 350 T N 0.060 114.419 114.554 -0.325 0.000 2.708 350 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 350 T C 1.812 176.398 174.700 -0.190 0.000 1.037 350 T CA 1.577 63.483 62.100 -0.323 0.000 1.146 350 T CB -0.229 68.318 68.868 -0.535 0.000 0.865 350 T HN 0.486 nan 8.240 nan 0.000 0.435 351 E N 1.065 121.140 120.200 -0.209 0.000 2.107 351 E HA 0.079 4.428 4.350 -0.001 0.000 0.191 351 E C 2.345 178.903 176.600 -0.070 0.000 0.982 351 E CA 0.441 56.660 56.400 -0.302 0.000 0.809 351 E CB -0.496 28.715 29.700 -0.815 0.000 0.756 351 E HN 0.449 nan 8.360 nan 0.000 0.459 352 L N 0.506 121.830 121.223 0.169 0.000 2.083 352 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 352 L C 2.582 179.498 176.870 0.076 0.000 1.083 352 L CA 1.200 56.179 54.840 0.231 0.000 0.752 352 L CB -0.277 41.879 42.059 0.163 0.000 0.899 352 L HN 0.049 nan 8.230 nan 0.000 0.433 353 R N 0.038 120.546 120.500 0.012 0.000 2.115 353 R HA -0.149 4.190 4.340 -0.001 0.000 0.230 353 R C 2.191 178.481 176.300 -0.017 0.000 1.111 353 R CA 1.011 57.106 56.100 -0.009 0.000 0.976 353 R CB -0.170 30.114 30.300 -0.027 0.000 0.870 353 R HN 0.337 nan 8.270 nan 0.000 0.445 354 K N 0.452 120.829 120.400 -0.039 0.000 2.209 354 K HA -0.076 4.244 4.320 -0.001 0.000 0.204 354 K C 1.711 178.285 176.600 -0.042 0.000 1.048 354 K CA 1.319 57.572 56.287 -0.055 0.000 0.940 354 K CB 0.153 32.588 32.500 -0.108 0.000 0.729 354 K HN 0.170 nan 8.250 nan 0.000 0.451 355 V N -3.825 116.083 119.914 -0.011 0.000 3.596 355 V HA 0.399 4.518 4.120 -0.001 0.000 0.289 355 V C 0.930 177.018 176.094 -0.010 0.000 1.336 355 V CA 0.445 62.740 62.300 -0.008 0.000 1.137 355 V CB 0.042 31.881 31.823 0.026 0.000 0.966 355 V HN 0.364 nan 8.190 nan 0.000 0.428 356 G N -0.394 108.402 108.800 -0.007 0.000 2.231 356 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.206 356 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.206 356 G C 0.438 175.330 174.900 -0.013 0.000 0.996 356 G CA 0.023 45.117 45.100 -0.010 0.000 0.645 356 G HN 1.466 nan 8.290 nan 0.000 0.498 357 A N 0.220 123.032 122.820 -0.012 0.000 2.386 357 A HA 0.625 4.945 4.320 -0.001 0.000 0.248 357 A C 0.344 177.927 177.584 -0.001 0.000 1.082 357 A CA 0.605 52.635 52.037 -0.012 0.000 0.789 357 A CB 0.478 19.473 19.000 -0.008 0.000 1.025 357 A HN 0.533 nan 8.150 nan 0.000 0.490 358 E N 0.935 121.136 120.200 0.002 0.000 2.146 358 E HA 0.522 4.872 4.350 -0.001 0.000 0.282 358 E C -1.468 175.142 176.600 0.016 0.000 0.989 358 E CA -0.367 56.039 56.400 0.009 0.000 0.799 358 E CB 0.928 30.634 29.700 0.011 0.000 1.088 358 E HN 0.379 nan 8.360 nan 0.000 0.397 359 V N 4.375 124.300 119.914 0.017 0.000 2.638 359 V HA 0.252 4.372 4.120 -0.001 0.000 0.306 359 V C -0.504 175.605 176.094 0.025 0.000 1.052 359 V CA -0.871 61.443 62.300 0.024 0.000 0.885 359 V CB 1.770 33.603 31.823 0.016 0.000 0.999 359 V HN 0.731 nan 8.190 nan 0.000 0.424 360 E N 3.461 123.686 120.200 0.042 0.000 2.109 360 E HA 0.281 4.631 4.350 -0.001 0.000 0.278 360 E C -0.457 176.132 176.600 -0.019 0.000 0.954 360 E CA -0.427 55.997 56.400 0.041 0.000 0.779 360 E CB 1.145 30.910 29.700 0.108 0.000 1.093 360 E HN 0.793 nan 8.360 nan 0.000 0.401 361 E N 4.116 124.283 120.200 -0.056 0.000 1.996 361 E HA 0.243 4.592 4.350 -0.001 0.000 0.280 361 E C -0.247 176.194 176.600 -0.265 0.000 1.092 361 E CA -0.437 55.892 56.400 -0.117 0.000 0.862 361 E CB 0.487 30.167 29.700 -0.032 0.000 1.066 361 E HN 0.665 nan 8.360 nan 0.000 0.396 362 G N 2.165 110.563 108.800 -0.670 0.000 2.599 362 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.264 362 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.264 362 G C 0.522 175.104 174.900 -0.528 0.000 1.200 362 G CA -0.268 44.125 45.100 -1.179 0.000 0.896 362 G HN 0.784 nan 8.290 nan 0.000 0.536 363 H N -0.307 118.570 119.070 -0.321 0.000 2.387 363 H HA -0.115 4.440 4.556 -0.001 0.000 0.299 363 H C 1.059 176.403 175.328 0.027 0.000 1.099 363 H CA 2.278 58.295 56.048 -0.052 0.000 1.315 363 H CB 0.385 30.177 29.762 0.049 0.000 1.380 363 H HN 0.516 nan 8.280 nan 0.000 0.513 364 D N -1.947 118.386 120.400 -0.111 0.000 2.692 364 D HA 0.088 4.728 4.640 -0.001 0.000 0.290 364 D C -0.673 175.622 176.300 -0.007 0.000 1.455 364 D CA -0.503 53.461 54.000 -0.060 0.000 0.796 364 D CB -1.023 39.837 40.800 0.101 0.000 1.131 364 D HN 0.496 nan 8.370 nan 0.000 0.467 365 Y N -1.844 118.380 120.300 -0.127 0.000 2.689 365 Y HA 0.691 5.241 4.550 -0.001 0.000 0.333 365 Y C -1.976 173.841 175.900 -0.139 0.000 1.208 365 Y CA -1.756 56.244 58.100 -0.166 0.000 1.055 365 Y CB 1.328 39.735 38.460 -0.088 0.000 1.304 365 Y HN -0.066 nan 8.280 nan 0.000 0.455 366 I N 2.068 122.667 120.570 0.048 0.000 2.619 366 I HA 0.578 4.748 4.170 -0.001 0.000 0.292 366 I C -1.458 174.745 176.117 0.144 0.000 1.100 366 I CA -1.021 60.292 61.300 0.023 0.000 1.043 366 I CB 1.880 39.862 38.000 -0.030 0.000 1.239 366 I HN 0.888 nan 8.210 nan 0.000 0.420 367 R N 7.750 128.340 120.500 0.150 0.000 2.437 367 R HA 0.712 5.051 4.340 -0.001 0.000 0.310 367 R C -1.855 174.489 176.300 0.073 0.000 0.955 367 R CA -0.516 55.657 56.100 0.122 0.000 0.851 367 R CB 1.377 31.771 30.300 0.156 0.000 1.161 367 R HN 0.615 nan 8.270 nan 0.000 0.446 368 I N 3.297 123.898 120.570 0.052 0.000 2.447 368 I HA 0.267 4.437 4.170 -0.001 0.000 0.287 368 I C -0.616 175.513 176.117 0.021 0.000 1.023 368 I CA -0.604 60.717 61.300 0.035 0.000 1.083 368 I CB 2.472 40.493 38.000 0.034 0.000 1.245 368 I HN 0.527 nan 8.210 nan 0.000 0.434 369 T N 7.315 121.877 114.554 0.014 0.000 2.772 369 T HA 0.391 4.741 4.350 -0.001 0.000 0.288 369 T C -2.483 172.211 174.700 -0.011 0.000 0.994 369 T CA -1.335 60.767 62.100 0.004 0.000 0.951 369 T CB 1.307 70.180 68.868 0.009 0.000 0.933 369 T HN 0.303 nan 8.240 nan 0.000 0.447 370 P HA 0.315 nan 4.420 nan 0.000 0.274 370 P C -2.545 174.730 177.300 -0.042 0.000 1.231 370 P CA -1.495 61.573 63.100 -0.053 0.000 0.790 370 P CB -0.060 31.593 31.700 -0.078 0.000 0.951 371 P HA 0.239 nan 4.420 nan 0.000 0.278 371 P C 0.748 178.028 177.300 -0.033 0.000 1.266 371 P CA -0.251 62.828 63.100 -0.034 0.000 0.807 371 P CB 1.321 33.001 31.700 -0.034 0.000 1.094 372 E N -0.034 120.157 120.200 -0.015 0.000 2.110 372 E HA -0.126 4.223 4.350 -0.001 0.000 0.193 372 E C 0.504 177.100 176.600 -0.008 0.000 0.988 372 E CA 1.325 57.722 56.400 -0.006 0.000 0.804 372 E CB 0.077 29.779 29.700 0.003 0.000 0.745 372 E HN 0.493 nan 8.360 nan 0.000 0.458 373 K N -0.242 120.152 120.400 -0.010 0.000 2.498 373 K HA 0.390 4.710 4.320 -0.001 0.000 0.254 373 K C -0.939 175.652 176.600 -0.016 0.000 0.933 373 K CA -0.635 55.649 56.287 -0.006 0.000 0.806 373 K CB 1.470 33.980 32.500 0.017 0.000 1.301 373 K HN -0.169 nan 8.250 nan 0.000 0.432 374 L N 2.667 123.874 121.223 -0.027 0.000 2.453 374 L HA 0.261 4.600 4.340 -0.001 0.000 0.261 374 L C 0.376 177.260 176.870 0.023 0.000 1.179 374 L CA -0.547 54.277 54.840 -0.027 0.000 0.813 374 L CB 0.404 42.432 42.059 -0.051 0.000 1.110 374 L HN 0.854 nan 8.230 nan 0.000 0.466 375 N N 0.685 119.403 118.700 0.030 0.000 2.381 375 N HA 0.293 5.032 4.740 -0.001 0.000 0.294 375 N C -0.927 174.636 175.510 0.088 0.000 1.216 375 N CA -0.741 52.352 53.050 0.073 0.000 0.803 375 N CB 1.845 40.371 38.487 0.066 0.000 1.372 375 N HN 0.321 nan 8.380 nan 0.000 0.500 376 F N 0.765 120.728 119.950 0.023 0.000 2.518 376 F HA 0.442 4.969 4.527 -0.001 0.000 0.359 376 F C -0.177 175.633 175.800 0.018 0.000 1.118 376 F CA -0.025 57.990 58.000 0.025 0.000 1.287 376 F CB 0.342 39.352 39.000 0.017 0.000 1.132 376 F HN 0.731 nan 8.300 nan 0.000 0.587 377 A N 4.819 126.935 122.820 -1.173 0.000 2.587 377 A HA 0.464 4.783 4.320 -0.001 0.000 0.293 377 A C -1.321 175.638 177.584 -1.041 0.000 1.087 377 A CA -0.848 50.694 52.037 -0.825 0.000 0.692 377 A CB 1.232 20.023 19.000 -0.349 0.000 1.291 377 A HN 0.764 nan 8.150 nan 0.000 0.407 378 E N 1.782 121.688 120.200 -0.490 0.000 2.081 378 E HA 0.444 4.794 4.350 -0.001 0.000 0.276 378 E C -0.935 175.527 176.600 -0.230 0.000 0.950 378 E CA -0.548 55.699 56.400 -0.254 0.000 0.776 378 E CB 0.466 30.141 29.700 -0.042 0.000 1.094 378 E HN 0.475 nan 8.360 nan 0.000 0.402 379 I N 3.664 124.094 120.570 -0.233 0.000 2.371 379 I HA 0.234 4.404 4.170 -0.001 0.000 0.290 379 I C 0.585 176.576 176.117 -0.211 0.000 1.028 379 I CA -0.408 60.725 61.300 -0.278 0.000 1.345 379 I CB 0.579 38.387 38.000 -0.319 0.000 1.407 379 I HN 0.544 nan 8.210 nan 0.000 0.501 380 A N 4.735 127.421 122.820 -0.224 0.000 2.354 380 A HA 0.494 4.813 4.320 -0.001 0.000 0.269 380 A C 0.952 178.460 177.584 -0.127 0.000 1.109 380 A CA -0.191 51.697 52.037 -0.247 0.000 0.800 380 A CB 0.202 18.947 19.000 -0.425 0.000 1.045 380 A HN 0.843 nan 8.150 nan 0.000 0.489 381 T N -2.004 112.495 114.554 -0.091 0.000 3.044 381 T HA 0.221 4.571 4.350 -0.001 0.000 0.260 381 T C 0.099 174.951 174.700 0.254 0.000 1.019 381 T CA 0.409 62.577 62.100 0.113 0.000 0.921 381 T CB -0.672 68.226 68.868 0.049 0.000 1.053 381 T HN 0.816 nan 8.240 nan 0.000 0.533 382 Y N 2.406 122.687 120.300 -0.032 0.000 3.491 382 Y HA -0.274 4.275 4.550 -0.001 0.000 0.215 382 Y C 0.580 176.481 175.900 0.003 0.000 1.219 382 Y CA 0.352 58.447 58.100 -0.008 0.000 1.485 382 Y CB -3.047 35.411 38.460 -0.003 0.000 1.450 382 Y HN 0.360 nan 8.280 nan 0.000 0.603 383 N N -0.338 118.423 118.700 0.102 0.000 2.708 383 N HA -0.219 4.521 4.740 -0.001 0.000 0.249 383 N C -0.673 174.902 175.510 0.109 0.000 1.097 383 N CA 1.616 54.716 53.050 0.084 0.000 0.710 383 N CB -0.548 37.979 38.487 0.067 0.000 1.032 383 N HN 0.682 nan 8.380 nan 0.000 0.551 384 D N -0.610 119.868 120.400 0.131 0.000 2.454 384 D HA 0.158 4.798 4.640 -0.001 0.000 0.247 384 D C 1.435 177.816 176.300 0.136 0.000 1.129 384 D CA -0.581 53.508 54.000 0.149 0.000 0.877 384 D CB 0.288 41.128 40.800 0.067 0.000 1.082 384 D HN 0.428 nan 8.370 nan 0.000 0.537 385 H N 2.668 121.711 119.070 -0.045 0.000 2.368 385 H HA -0.204 4.351 4.556 -0.001 0.000 0.292 385 H C 1.243 176.458 175.328 -0.188 0.000 1.117 385 H CA 1.302 57.293 56.048 -0.095 0.000 1.231 385 H CB 0.101 29.821 29.762 -0.069 0.000 1.359 385 H HN 0.232 nan 8.280 nan 0.000 0.490 386 R N -0.204 119.973 120.500 -0.538 0.000 2.189 386 R HA -0.018 4.321 4.340 -0.001 0.000 0.218 386 R C 2.187 178.324 176.300 -0.272 0.000 1.074 386 R CA 1.046 56.856 56.100 -0.482 0.000 0.991 386 R CB -0.021 29.971 30.300 -0.513 0.000 0.883 386 R HN 0.387 nan 8.270 nan 0.000 0.457 387 M N 0.353 119.866 119.600 -0.144 0.000 2.132 387 M HA -0.063 4.417 4.480 -0.001 0.000 0.263 387 M C 2.417 178.770 176.300 0.089 0.000 1.065 387 M CA 1.479 56.797 55.300 0.030 0.000 1.122 387 M CB -0.931 31.699 32.600 0.050 0.000 1.365 387 M HN 0.149 nan 8.290 nan 0.000 0.411 388 A N -0.003 122.806 122.820 -0.018 0.000 1.877 388 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 388 A C 2.234 179.708 177.584 -0.183 0.000 1.186 388 A CA 1.659 53.706 52.037 0.016 0.000 0.620 388 A CB -0.556 18.482 19.000 0.064 0.000 0.822 388 A HN 0.485 nan 8.150 nan 0.000 0.443 389 M N -1.177 118.037 119.600 -0.643 0.000 2.132 389 M HA -0.157 4.322 4.480 -0.001 0.000 0.263 389 M C 2.381 178.211 176.300 -0.783 0.000 1.065 389 M CA 1.213 55.706 55.300 -1.344 0.000 1.122 389 M CB -0.629 30.515 32.600 -2.427 0.000 1.365 389 M HN 0.544 nan 8.290 nan 0.000 0.411 390 C N -0.233 118.827 119.300 -0.400 0.000 2.429 390 C HA -0.135 4.324 4.460 -0.001 0.000 0.277 390 C C 2.426 177.271 174.990 -0.241 0.000 1.262 390 C CA 0.724 59.640 59.018 -0.171 0.000 1.733 390 C CB -1.078 26.557 27.740 -0.175 0.000 2.010 390 C HN 0.442 nan 8.230 nan 0.000 0.483 391 F N 1.916 121.832 119.950 -0.056 0.000 2.661 391 F HA -0.064 4.462 4.527 -0.001 0.000 0.298 391 F C 2.586 178.427 175.800 0.067 0.000 1.137 391 F CA 1.146 59.153 58.000 0.010 0.000 1.454 391 F CB -0.391 38.602 39.000 -0.012 0.000 1.103 391 F HN 0.270 nan 8.300 nan 0.000 0.577 392 S N 0.286 116.090 115.700 0.175 0.000 2.419 392 S HA -0.186 4.284 4.470 -0.001 0.000 0.233 392 S C 1.848 176.567 174.600 0.199 0.000 1.016 392 S CA 0.962 59.319 58.200 0.262 0.000 0.974 392 S CB -0.884 62.542 63.200 0.377 0.000 0.786 392 S HN 0.480 nan 8.310 nan 0.000 0.492 393 L N 1.112 122.415 121.223 0.135 0.000 2.362 393 L HA 0.017 4.356 4.340 -0.001 0.000 0.219 393 L C 2.369 179.395 176.870 0.259 0.000 1.134 393 L CA 0.348 55.277 54.840 0.148 0.000 0.807 393 L CB -0.699 41.437 42.059 0.127 0.000 0.927 393 L HN 0.244 nan 8.230 nan 0.000 0.447 394 V N 0.563 120.621 119.914 0.240 0.000 2.568 394 V HA -0.275 3.845 4.120 -0.001 0.000 0.253 394 V C 2.610 178.882 176.094 0.297 0.000 1.072 394 V CA 1.724 64.194 62.300 0.283 0.000 1.084 394 V CB -0.733 31.203 31.823 0.187 0.000 0.676 394 V HN 0.530 nan 8.190 nan 0.000 0.469 395 A N -0.599 122.351 122.820 0.217 0.000 2.239 395 A HA 0.062 4.382 4.320 -0.001 0.000 0.209 395 A C 1.817 179.488 177.584 0.144 0.000 1.171 395 A CA 0.684 52.825 52.037 0.174 0.000 0.768 395 A CB -0.488 18.600 19.000 0.147 0.000 0.790 395 A HN 0.561 nan 8.150 nan 0.000 0.478 396 L N 0.716 122.015 121.223 0.128 0.000 2.645 396 L HA 0.047 4.387 4.340 -0.001 0.000 0.235 396 L C 1.284 178.193 176.870 0.064 0.000 1.150 396 L CA 0.196 55.019 54.840 -0.029 0.000 0.911 396 L CB -0.505 41.367 42.059 -0.311 0.000 1.077 396 L HN 0.552 nan 8.230 nan 0.000 0.438 397 S N -2.830 113.029 115.700 0.264 0.000 2.721 397 S HA 0.282 4.752 4.470 -0.001 0.000 0.296 397 S C 0.548 175.252 174.600 0.173 0.000 1.093 397 S CA -0.752 57.636 58.200 0.313 0.000 0.959 397 S CB 1.049 64.464 63.200 0.359 0.000 1.301 397 S HN 0.019 nan 8.310 nan 0.000 0.550 398 D N 0.640 121.128 120.400 0.146 0.000 2.340 398 D HA 0.174 4.813 4.640 -0.001 0.000 0.220 398 D C 0.272 176.636 176.300 0.107 0.000 1.039 398 D CA 0.649 54.712 54.000 0.105 0.000 0.866 398 D CB 0.240 41.090 40.800 0.084 0.000 0.913 398 D HN 0.500 nan 8.370 nan 0.000 0.523 399 T N 1.353 115.986 114.554 0.131 0.000 2.855 399 T HA 0.392 4.741 4.350 -0.001 0.000 0.281 399 T C -2.678 172.128 174.700 0.175 0.000 1.007 399 T CA -2.265 59.925 62.100 0.150 0.000 1.009 399 T CB 2.176 71.140 68.868 0.159 0.000 0.983 399 T HN -0.220 nan 8.240 nan 0.000 0.455 400 P HA 0.430 nan 4.420 nan 0.000 0.275 400 P C -1.118 176.348 177.300 0.277 0.000 1.266 400 P CA -0.499 62.736 63.100 0.225 0.000 0.793 400 P CB 0.889 32.721 31.700 0.221 0.000 1.074 401 V N -0.768 119.266 119.914 0.200 0.000 2.932 401 V HA 0.427 4.547 4.120 -0.001 0.000 0.307 401 V C -1.048 175.084 176.094 0.064 0.000 1.147 401 V CA -0.341 61.972 62.300 0.021 0.000 0.951 401 V CB 2.382 34.225 31.823 0.034 0.000 1.031 401 V HN 0.539 nan 8.190 nan 0.000 0.426 402 T N 7.460 121.974 114.554 -0.065 0.000 2.779 402 T HA 0.597 4.947 4.350 -0.001 0.000 0.280 402 T C -0.570 174.099 174.700 -0.053 0.000 0.987 402 T CA -0.247 61.872 62.100 0.032 0.000 0.966 402 T CB 0.835 69.814 68.868 0.185 0.000 0.933 402 T HN 0.458 nan 8.240 nan 0.000 0.442 403 I N 4.516 125.060 120.570 -0.043 0.000 2.330 403 I HA 0.336 4.505 4.170 -0.001 0.000 0.289 403 I C 0.276 176.361 176.117 -0.053 0.000 1.001 403 I CA -0.723 60.555 61.300 -0.037 0.000 1.193 403 I CB 1.014 39.018 38.000 0.007 0.000 1.345 403 I HN 0.487 nan 8.210 nan 0.000 0.461 404 L N 5.139 126.329 121.223 -0.054 0.000 2.417 404 L HA 0.158 4.497 4.340 -0.001 0.000 0.268 404 L C 0.663 177.516 176.870 -0.029 0.000 1.158 404 L CA -0.147 54.662 54.840 -0.051 0.000 0.819 404 L CB 0.112 42.126 42.059 -0.074 0.000 1.112 404 L HN 0.620 nan 8.230 nan 0.000 0.458 405 D N 1.717 122.103 120.400 -0.024 0.000 2.735 405 D HA -0.133 4.506 4.640 -0.001 0.000 0.235 405 D C -1.392 174.930 176.300 0.037 0.000 1.175 405 D CA 0.244 54.245 54.000 0.002 0.000 0.683 405 D CB 0.056 40.857 40.800 0.002 0.000 1.008 405 D HN 0.350 nan 8.370 nan 0.000 0.416 406 P HA -0.188 nan 4.420 nan 0.000 0.219 406 P C 1.058 178.484 177.300 0.209 0.000 1.146 406 P CA 0.976 64.148 63.100 0.120 0.000 0.808 406 P CB 0.091 31.714 31.700 -0.128 0.000 0.779 407 K N -0.095 120.375 120.400 0.116 0.000 2.515 407 K HA -0.067 4.252 4.320 -0.001 0.000 0.196 407 K C 2.131 178.794 176.600 0.105 0.000 1.038 407 K CA 1.115 57.471 56.287 0.116 0.000 0.967 407 K CB -0.738 31.805 32.500 0.073 0.000 0.780 407 K HN 0.345 nan 8.250 nan 0.000 0.483 408 C N 0.140 119.500 119.300 0.101 0.000 2.437 408 C HA -0.045 4.415 4.460 -0.001 0.000 0.283 408 C C 2.664 177.713 174.990 0.098 0.000 1.424 408 C CA 0.750 59.820 59.018 0.087 0.000 1.782 408 C CB -1.599 26.191 27.740 0.083 0.000 1.833 408 C HN 0.469 nan 8.230 nan 0.000 0.532 409 T N -0.594 114.025 114.554 0.109 0.000 2.977 409 T HA 0.006 4.355 4.350 -0.001 0.000 0.271 409 T C 1.876 176.642 174.700 0.110 0.000 1.105 409 T CA 1.455 63.599 62.100 0.074 0.000 1.116 409 T CB -0.626 68.212 68.868 -0.050 0.000 0.878 409 T HN 0.807 nan 8.240 nan 0.000 0.509 410 A N 1.525 124.403 122.820 0.097 0.000 2.186 410 A HA -0.012 4.308 4.320 -0.001 0.000 0.219 410 A C 2.314 179.913 177.584 0.026 0.000 1.159 410 A CA 1.603 53.691 52.037 0.084 0.000 0.680 410 A CB -0.793 18.249 19.000 0.069 0.000 0.787 410 A HN 0.638 nan 8.150 nan 0.000 0.467 411 K N -0.402 119.969 120.400 -0.049 0.000 2.063 411 K HA -0.178 4.141 4.320 -0.001 0.000 0.208 411 K C 1.577 178.079 176.600 -0.163 0.000 1.048 411 K CA 2.016 58.188 56.287 -0.193 0.000 0.928 411 K CB -0.064 32.122 32.500 -0.523 0.000 0.713 411 K HN 0.638 nan 8.250 nan 0.000 0.442 412 T N -3.884 110.641 114.554 -0.048 0.000 3.041 412 T HA 0.168 4.517 4.350 -0.001 0.000 0.276 412 T C -0.136 174.685 174.700 0.202 0.000 0.948 412 T CA -0.611 61.535 62.100 0.076 0.000 0.885 412 T CB 0.458 69.435 68.868 0.182 0.000 1.175 412 T HN 0.043 nan 8.240 nan 0.000 0.529 413 F N 1.973 121.960 119.950 0.062 0.000 3.159 413 F HA 0.466 4.992 4.527 -0.001 0.000 0.394 413 F C -2.822 173.035 175.800 0.095 0.000 1.214 413 F CA -2.992 55.064 58.000 0.094 0.000 1.241 413 F CB 1.736 40.808 39.000 0.121 0.000 2.238 413 F HN -0.198 nan 8.300 nan 0.000 0.658 414 P HA -0.125 nan 4.420 nan 0.000 0.216 414 P C 0.590 178.006 177.300 0.194 0.000 1.150 414 P CA 1.602 64.831 63.100 0.215 0.000 0.843 414 P CB 0.362 32.158 31.700 0.160 0.000 0.787 415 D N -2.679 117.884 120.400 0.271 0.000 2.370 415 D HA -0.008 4.631 4.640 -0.001 0.000 0.230 415 D C 1.286 177.495 176.300 -0.153 0.000 1.143 415 D CA -0.200 53.881 54.000 0.135 0.000 0.834 415 D CB -0.799 40.122 40.800 0.203 0.000 0.944 415 D HN 0.182 nan 8.370 nan 0.000 0.504 416 Y N 0.685 120.598 120.300 -0.644 0.000 2.114 416 Y HA -0.317 4.232 4.550 -0.001 0.000 0.282 416 Y C 1.525 177.030 175.900 -0.658 0.000 1.165 416 Y CA 1.735 59.099 58.100 -1.227 0.000 1.148 416 Y CB -0.357 37.286 38.460 -1.362 0.000 0.972 416 Y HN -0.087 nan 8.280 nan 0.000 0.504 417 F N 0.366 120.113 119.950 -0.338 0.000 2.234 417 F HA -0.094 4.433 4.527 -0.001 0.000 0.299 417 F C 2.147 177.797 175.800 -0.250 0.000 1.087 417 F CA 1.484 59.307 58.000 -0.296 0.000 1.340 417 F CB -0.614 38.345 39.000 -0.067 0.000 1.031 417 F HN 0.042 nan 8.300 nan 0.000 0.500 418 E N -0.120 120.062 120.200 -0.030 0.000 2.106 418 E HA -0.165 4.185 4.350 -0.001 0.000 0.192 418 E C 2.180 178.708 176.600 -0.120 0.000 0.984 418 E CA 0.928 57.305 56.400 -0.039 0.000 0.806 418 E CB -0.377 29.320 29.700 -0.004 0.000 0.750 418 E HN 0.302 nan 8.360 nan 0.000 0.458 419 Q N -0.190 119.483 119.800 -0.211 0.000 2.083 419 Q HA -0.069 4.271 4.340 -0.001 0.000 0.198 419 Q C 2.318 178.112 176.000 -0.344 0.000 0.969 419 Q CA 0.682 56.321 55.803 -0.273 0.000 0.838 419 Q CB -0.397 28.216 28.738 -0.208 0.000 0.900 419 Q HN 0.275 nan 8.270 nan 0.000 0.436 420 L N 0.845 121.871 121.223 -0.328 0.000 2.083 420 L HA -0.074 4.266 4.340 -0.001 0.000 0.209 420 L C 2.101 178.916 176.870 -0.091 0.000 1.083 420 L CA 2.011 56.765 54.840 -0.143 0.000 0.752 420 L CB -0.727 41.171 42.059 -0.267 0.000 0.899 420 L HN 0.114 nan 8.230 nan 0.000 0.433 421 A N -0.351 122.418 122.820 -0.086 0.000 1.930 421 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 421 A C 2.520 180.069 177.584 -0.059 0.000 1.175 421 A CA 1.554 53.567 52.037 -0.039 0.000 0.627 421 A CB -0.680 18.310 19.000 -0.016 0.000 0.815 421 A HN 0.536 nan 8.150 nan 0.000 0.443 422 R N 0.485 120.926 120.500 -0.097 0.000 2.105 422 R HA -0.146 4.193 4.340 -0.001 0.000 0.239 422 R C 1.770 178.012 176.300 -0.096 0.000 1.135 422 R CA 2.059 58.099 56.100 -0.100 0.000 0.967 422 R CB -0.474 29.744 30.300 -0.136 0.000 0.861 422 R HN 0.711 nan 8.270 nan 0.000 0.442 423 I N -1.780 118.723 120.570 -0.112 0.000 3.793 423 I HA 0.215 4.384 4.170 -0.001 0.000 0.315 423 I C -0.219 175.875 176.117 -0.039 0.000 1.275 423 I CA -0.243 61.009 61.300 -0.081 0.000 1.214 423 I CB 0.571 38.515 38.000 -0.094 0.000 1.018 423 I HN -0.150 nan 8.210 nan 0.000 0.439 424 S N 2.662 118.345 115.700 -0.029 0.000 2.499 424 S HA 0.388 4.857 4.470 -0.001 0.000 0.275 424 S C -0.121 174.472 174.600 -0.011 0.000 1.257 424 S CA -0.503 57.693 58.200 -0.008 0.000 1.050 424 S CB 0.713 63.916 63.200 0.005 0.000 0.937 424 S HN 0.310 nan 8.310 nan 0.000 0.490 425 Q N 1.097 120.893 119.800 -0.008 0.000 2.394 425 Q HA 0.549 4.888 4.340 -0.001 0.000 0.273 425 Q C 0.299 176.297 176.000 -0.002 0.000 1.089 425 Q CA -0.746 55.052 55.803 -0.008 0.000 0.812 425 Q CB 1.825 30.556 28.738 -0.012 0.000 1.353 425 Q HN 0.644 nan 8.270 nan 0.000 0.438 426 A N 0.222 123.041 122.820 -0.002 0.000 2.132 426 A HA 0.488 4.808 4.320 -0.001 0.000 0.213 426 A C 0.634 178.219 177.584 0.002 0.000 1.154 426 A CA 1.224 53.263 52.037 0.003 0.000 0.753 426 A CB 0.230 19.232 19.000 0.003 0.000 0.826 426 A HN 0.648 nan 8.150 nan 0.000 0.469 427 A N 0.000 122.819 122.820 -0.002 0.000 2.254 427 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 427 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486