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 2qvx_1_X DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVG RQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSXXTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNGYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPQ ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QV 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 0.000 176.328 176.300 0.046 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.621 32.600 0.034 0.000 1.302 2 Q N 2.540 122.372 119.800 0.054 0.000 2.347 2 Q HA 0.453 4.793 4.340 -0.000 0.000 0.265 2 Q C -0.764 175.293 176.000 0.096 0.000 1.024 2 Q CA -0.346 55.498 55.803 0.068 0.000 0.731 2 Q CB 2.073 30.848 28.738 0.061 0.000 1.245 2 Q HN 0.843 nan 8.270 nan 0.000 0.472 3 T N -1.832 112.799 114.554 0.129 0.000 2.754 3 T HA 0.194 4.544 4.350 -0.000 0.000 0.286 3 T C 1.443 176.291 174.700 0.246 0.000 0.997 3 T CA -0.679 61.546 62.100 0.207 0.000 0.982 3 T CB 0.869 69.889 68.868 0.253 0.000 1.027 3 T HN 0.279 nan 8.240 nan 0.000 0.529 4 V N 1.608 121.725 119.914 0.338 0.000 2.255 4 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 4 V C 2.882 179.167 176.094 0.318 0.000 1.051 4 V CA 2.467 64.924 62.300 0.262 0.000 1.018 4 V CB -1.410 30.501 31.823 0.146 0.000 0.641 4 V HN 0.994 nan 8.190 nan 0.000 0.445 5 N N 0.057 119.082 118.700 0.541 0.000 2.104 5 N HA -0.229 4.511 4.740 -0.000 0.000 0.190 5 N C 1.802 177.422 175.510 0.184 0.000 1.024 5 N CA 1.732 54.982 53.050 0.334 0.000 0.853 5 N CB -0.179 38.402 38.487 0.157 0.000 1.008 5 N HN 0.425 nan 8.380 nan 0.000 0.424 6 E N 0.013 120.312 120.200 0.166 0.000 2.107 6 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 6 E C 1.947 178.607 176.600 0.101 0.000 0.982 6 E CA 1.042 57.507 56.400 0.108 0.000 0.809 6 E CB -0.192 29.565 29.700 0.095 0.000 0.756 6 E HN 0.466 nan 8.360 nan 0.000 0.459 7 M N -0.378 119.290 119.600 0.113 0.000 2.117 7 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 7 M C 2.044 178.401 176.300 0.095 0.000 1.065 7 M CA 1.254 56.609 55.300 0.091 0.000 1.114 7 M CB -0.245 32.402 32.600 0.079 0.000 1.361 7 M HN 0.137 nan 8.290 nan 0.000 0.408 8 L N -1.020 120.267 121.223 0.107 0.000 2.179 8 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 8 L C 2.625 179.571 176.870 0.126 0.000 1.096 8 L CA 0.827 55.735 54.840 0.113 0.000 0.779 8 L CB -0.684 41.433 42.059 0.097 0.000 0.922 8 L HN 0.341 nan 8.230 nan 0.000 0.443 9 R N 0.721 121.284 120.500 0.106 0.000 2.093 9 R HA -0.088 4.252 4.340 -0.000 0.000 0.224 9 R C 2.401 178.748 176.300 0.078 0.000 1.101 9 R CA 0.912 57.065 56.100 0.088 0.000 0.979 9 R CB 0.080 30.423 30.300 0.071 0.000 0.877 9 R HN 0.251 nan 8.270 nan 0.000 0.441 10 R N 0.161 120.704 120.500 0.073 0.000 2.066 10 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 10 R C 2.388 178.719 176.300 0.051 0.000 1.131 10 R CA 1.305 57.437 56.100 0.053 0.000 0.955 10 R CB -0.384 29.944 30.300 0.046 0.000 0.851 10 R HN 0.215 nan 8.270 nan 0.000 0.432 11 A N 1.660 124.523 122.820 0.071 0.000 1.859 11 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 11 A C 2.429 180.016 177.584 0.005 0.000 1.209 11 A CA 2.159 54.221 52.037 0.041 0.000 0.639 11 A CB -1.252 17.823 19.000 0.124 0.000 0.835 11 A HN 0.417 nan 8.150 nan 0.000 0.450 12 A N -0.865 122.042 122.820 0.144 0.000 2.009 12 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 12 A C 2.428 180.047 177.584 0.058 0.000 1.175 12 A CA 3.247 55.370 52.037 0.144 0.000 0.651 12 A CB -1.585 17.511 19.000 0.161 0.000 0.815 12 A HN 1.057 nan 8.150 nan 0.000 0.459 13 T N -2.788 111.790 114.554 0.040 0.000 2.896 13 T HA -0.056 4.294 4.350 -0.000 0.000 0.263 13 T C 1.925 176.629 174.700 0.007 0.000 1.050 13 T CA 1.027 63.141 62.100 0.025 0.000 1.140 13 T CB -0.302 68.580 68.868 0.023 0.000 0.877 13 T HN 0.585 nan 8.240 nan 0.000 0.457 14 R N 1.637 122.134 120.500 -0.005 0.000 2.075 14 R HA 0.272 4.612 4.340 -0.000 0.000 0.232 14 R C 1.643 177.919 176.300 -0.041 0.000 1.126 14 R CA 1.227 57.320 56.100 -0.012 0.000 0.963 14 R CB -0.199 30.111 30.300 0.017 0.000 0.858 14 R HN 0.469 nan 8.270 nan 0.000 0.435 15 A N 1.247 124.004 122.820 -0.106 0.000 3.113 15 A HA 0.277 4.597 4.320 -0.000 0.000 0.307 15 A C -1.944 175.625 177.584 -0.025 0.000 1.025 15 A CA -1.161 50.802 52.037 -0.123 0.000 1.012 15 A CB 0.409 19.241 19.000 -0.279 0.000 1.085 15 A HN 0.001 nan 8.150 nan 0.000 0.519 16 P HA -0.141 nan 4.420 nan 0.000 0.218 16 P C -0.002 177.370 177.300 0.121 0.000 1.148 16 P CA 1.361 64.513 63.100 0.087 0.000 0.822 16 P CB 0.225 31.961 31.700 0.060 0.000 0.784 17 D N -2.381 118.083 120.400 0.106 0.000 2.388 17 D HA 0.054 4.694 4.640 -0.000 0.000 0.221 17 D C 0.354 176.740 176.300 0.143 0.000 1.133 17 D CA -0.001 54.062 54.000 0.104 0.000 0.831 17 D CB -0.680 40.164 40.800 0.073 0.000 0.962 17 D HN 0.303 nan 8.370 nan 0.000 0.502 18 H N 0.100 119.217 119.070 0.078 0.000 2.481 18 H HA 0.229 4.785 4.556 -0.000 0.000 0.339 18 H C -0.319 175.111 175.328 0.171 0.000 1.131 18 H CA -0.717 55.386 56.048 0.092 0.000 1.301 18 H CB 1.050 30.835 29.762 0.039 0.000 1.476 18 H HN -0.078 nan 8.280 nan 0.000 0.529 19 C N 4.930 123.926 119.300 -0.506 0.000 2.648 19 C HA 0.388 4.848 4.460 -0.000 0.000 0.406 19 C C 1.504 176.417 174.990 -0.127 0.000 1.406 19 C CA 0.379 59.230 59.018 -0.279 0.000 1.610 19 C CB -2.181 25.390 27.740 -0.283 0.000 2.451 19 C HN 0.894 nan 8.230 nan 0.000 0.608 20 A N 5.930 128.706 122.820 -0.073 0.000 1.881 20 A HA 0.369 4.689 4.320 -0.000 0.000 0.210 20 A C 0.555 178.094 177.584 -0.075 0.000 1.239 20 A CA 0.619 52.537 52.037 -0.199 0.000 0.629 20 A CB -0.139 18.558 19.000 -0.505 0.000 0.906 20 A HN 0.774 nan 8.150 nan 0.000 0.460 21 L N -0.194 121.002 121.223 -0.045 0.000 2.346 21 L HA 0.712 5.052 4.340 -0.000 0.000 0.276 21 L C -0.328 176.548 176.870 0.009 0.000 1.006 21 L CA -0.705 54.156 54.840 0.034 0.000 0.817 21 L CB 1.953 44.039 42.059 0.046 0.000 1.272 21 L HN 0.287 nan 8.230 nan 0.000 0.421 22 A N 2.468 125.295 122.820 0.011 0.000 2.386 22 A HA 0.812 5.132 4.320 -0.000 0.000 0.311 22 A C -0.702 176.877 177.584 -0.009 0.000 1.068 22 A CA -0.546 51.483 52.037 -0.013 0.000 0.743 22 A CB 1.935 20.913 19.000 -0.036 0.000 1.258 22 A HN 0.485 nan 8.150 nan 0.000 0.429 23 V N 0.890 120.800 119.914 -0.007 0.000 2.320 23 V HA 0.375 4.495 4.120 -0.000 0.000 0.268 23 V C -2.091 173.994 176.094 -0.015 0.000 1.021 23 V CA -1.478 60.818 62.300 -0.008 0.000 0.813 23 V CB 0.608 32.437 31.823 0.009 0.000 1.054 23 V HN 0.647 nan 8.190 nan 0.000 0.444 24 P HA -0.157 nan 4.420 nan 0.000 0.216 24 P C 0.863 178.151 177.300 -0.020 0.000 1.157 24 P CA 2.114 65.199 63.100 -0.025 0.000 0.880 24 P CB 0.256 31.937 31.700 -0.032 0.000 0.791 25 A N -0.134 122.674 122.820 -0.020 0.000 2.401 25 A HA 0.430 4.750 4.320 -0.000 0.000 0.259 25 A C 0.845 178.424 177.584 -0.009 0.000 1.103 25 A CA -0.040 51.988 52.037 -0.016 0.000 0.789 25 A CB -0.040 18.949 19.000 -0.018 0.000 1.035 25 A HN 0.088 nan 8.150 nan 0.000 0.491 26 R N 0.815 121.311 120.500 -0.006 0.000 3.198 26 R HA -0.158 4.182 4.340 -0.000 0.000 0.451 26 R C 0.900 177.198 176.300 -0.002 0.000 0.521 26 R CA 1.603 57.702 56.100 -0.002 0.000 1.453 26 R CB -2.664 27.638 30.300 0.003 0.000 2.060 26 R HN 2.643 nan 8.270 nan 0.000 0.347 27 G N 1.675 110.472 108.800 -0.006 0.000 2.363 27 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.286 27 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.286 27 G C -0.384 174.514 174.900 -0.004 0.000 0.975 27 G CA 0.627 45.723 45.100 -0.006 0.000 1.309 27 G HN 0.408 nan 8.290 nan 0.000 0.491 28 L N 0.832 122.052 121.223 -0.004 0.000 2.436 28 L HA 0.868 5.208 4.340 -0.000 0.000 0.268 28 L C -0.169 176.698 176.870 -0.005 0.000 0.974 28 L CA -0.986 53.853 54.840 -0.001 0.000 0.826 28 L CB 1.489 43.552 42.059 0.005 0.000 1.291 28 L HN 0.396 nan 8.230 nan 0.000 0.406 29 R N 5.787 126.282 120.500 -0.008 0.000 2.574 29 R HA 0.741 5.081 4.340 -0.000 0.000 0.288 29 R C -1.654 174.638 176.300 -0.014 0.000 1.004 29 R CA -0.849 55.241 56.100 -0.017 0.000 0.895 29 R CB 1.997 32.281 30.300 -0.026 0.000 1.191 29 R HN 0.524 nan 8.270 nan 0.000 0.444 30 L N 1.984 123.195 121.223 -0.020 0.000 2.362 30 L HA 0.440 4.780 4.340 -0.000 0.000 0.275 30 L C 0.728 177.582 176.870 -0.027 0.000 0.998 30 L CA -0.924 53.906 54.840 -0.018 0.000 0.820 30 L CB 2.288 44.337 42.059 -0.016 0.000 1.270 30 L HN 0.751 nan 8.230 nan 0.000 0.415 31 T N -3.290 111.264 114.554 -0.000 0.000 2.748 31 T HA 0.066 4.416 4.350 -0.000 0.000 0.304 31 T C 1.212 175.944 174.700 0.053 0.000 1.041 31 T CA -0.233 61.892 62.100 0.043 0.000 1.033 31 T CB 0.603 69.513 68.868 0.069 0.000 0.995 31 T HN 0.512 nan 8.240 nan 0.000 0.536 32 H N 0.582 119.676 119.070 0.039 0.000 2.387 32 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 32 H C 2.522 177.873 175.328 0.039 0.000 1.099 32 H CA 1.653 57.730 56.048 0.047 0.000 1.315 32 H CB -0.382 29.422 29.762 0.070 0.000 1.380 32 H HN 0.806 nan 8.280 nan 0.000 0.513 33 A N 1.213 124.129 122.820 0.160 0.000 1.877 33 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 33 A C 2.251 179.870 177.584 0.059 0.000 1.186 33 A CA 1.609 53.704 52.037 0.096 0.000 0.620 33 A CB -0.382 18.664 19.000 0.077 0.000 0.822 33 A HN 0.426 nan 8.150 nan 0.000 0.443 34 E N -0.850 119.377 120.200 0.046 0.000 2.150 34 E HA -0.152 4.197 4.350 -0.000 0.000 0.193 34 E C 1.873 178.482 176.600 0.015 0.000 0.985 34 E CA 1.079 57.495 56.400 0.025 0.000 0.814 34 E CB -0.178 29.533 29.700 0.018 0.000 0.752 34 E HN 0.522 nan 8.360 nan 0.000 0.466 35 L N 0.773 121.999 121.223 0.004 0.000 2.156 35 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 35 L C 2.062 178.936 176.870 0.007 0.000 1.095 35 L CA 1.359 56.192 54.840 -0.012 0.000 0.770 35 L CB -0.081 41.941 42.059 -0.061 0.000 0.914 35 L HN -0.107 nan 8.230 nan 0.000 0.439 36 R N 0.403 120.919 120.500 0.026 0.000 2.097 36 R HA -0.117 4.223 4.340 -0.000 0.000 0.236 36 R C 2.265 178.579 176.300 0.022 0.000 1.135 36 R CA 1.716 57.836 56.100 0.034 0.000 0.934 36 R CB -1.438 28.891 30.300 0.047 0.000 0.846 36 R HN 0.530 nan 8.270 nan 0.000 0.431 37 A N 0.868 123.700 122.820 0.021 0.000 1.908 37 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 37 A C 2.298 179.887 177.584 0.008 0.000 1.181 37 A CA 1.855 53.900 52.037 0.014 0.000 0.627 37 A CB -0.391 18.619 19.000 0.016 0.000 0.818 37 A HN 0.331 nan 8.150 nan 0.000 0.445 38 R N -0.920 119.584 120.500 0.008 0.000 2.073 38 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 38 R C 2.017 178.319 176.300 0.004 0.000 1.120 38 R CA 1.260 57.363 56.100 0.005 0.000 0.967 38 R CB -0.596 29.708 30.300 0.006 0.000 0.862 38 R HN 0.351 nan 8.270 nan 0.000 0.436 39 V N 1.636 121.556 119.914 0.010 0.000 2.332 39 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 39 V C 2.216 178.313 176.094 0.005 0.000 1.055 39 V CA 1.769 64.079 62.300 0.016 0.000 1.038 39 V CB -0.414 31.428 31.823 0.032 0.000 0.651 39 V HN 0.285 nan 8.190 nan 0.000 0.450 40 E N 0.307 120.508 120.200 0.001 0.000 2.051 40 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 40 E C 2.353 178.938 176.600 -0.025 0.000 0.991 40 E CA 1.677 58.070 56.400 -0.011 0.000 0.799 40 E CB -0.580 29.115 29.700 -0.008 0.000 0.748 40 E HN 0.589 nan 8.360 nan 0.000 0.449 41 A N 1.024 123.830 122.820 -0.023 0.000 1.872 41 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 41 A C 2.651 180.196 177.584 -0.065 0.000 1.187 41 A CA 1.403 53.417 52.037 -0.038 0.000 0.614 41 A CB -0.756 18.229 19.000 -0.025 0.000 0.826 41 A HN 0.114 nan 8.150 nan 0.000 0.442 42 V N 0.243 120.127 119.914 -0.050 0.000 2.219 42 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 42 V C 3.068 179.127 176.094 -0.057 0.000 1.053 42 V CA 2.274 64.538 62.300 -0.059 0.000 1.009 42 V CB -1.614 30.193 31.823 -0.027 0.000 0.636 42 V HN 0.644 nan 8.190 nan 0.000 0.445 43 A N 0.107 122.908 122.820 -0.031 0.000 1.929 43 A HA -0.335 3.985 4.320 -0.000 0.000 0.221 43 A C 2.303 179.879 177.584 -0.014 0.000 1.211 43 A CA 3.178 55.203 52.037 -0.019 0.000 0.657 43 A CB -1.000 17.987 19.000 -0.021 0.000 0.827 43 A HN 0.778 nan 8.150 nan 0.000 0.462 44 A N -1.827 120.967 122.820 -0.043 0.000 2.072 44 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 44 A C 2.189 179.744 177.584 -0.049 0.000 1.156 44 A CA 1.248 53.262 52.037 -0.038 0.000 0.701 44 A CB -0.357 18.601 19.000 -0.071 0.000 0.816 44 A HN 0.455 nan 8.150 nan 0.000 0.458 45 R N 0.351 120.761 120.500 -0.151 0.000 2.062 45 R HA 0.037 4.377 4.340 -0.000 0.000 0.226 45 R C 1.818 177.978 176.300 -0.234 0.000 1.125 45 R CA 1.390 57.274 56.100 -0.360 0.000 0.966 45 R CB -0.698 29.333 30.300 -0.448 0.000 0.861 45 R HN 0.527 nan 8.270 nan 0.000 0.433 46 L N 0.251 121.405 121.223 -0.116 0.000 2.042 46 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 46 L C 2.891 179.749 176.870 -0.020 0.000 1.076 46 L CA 1.638 56.444 54.840 -0.055 0.000 0.749 46 L CB -0.928 41.111 42.059 -0.033 0.000 0.893 46 L HN 0.367 nan 8.230 nan 0.000 0.432 47 H N 0.730 119.758 119.070 -0.070 0.000 2.352 47 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 47 H C 2.069 177.382 175.328 -0.026 0.000 1.097 47 H CA 1.669 57.690 56.048 -0.046 0.000 1.311 47 H CB 0.315 30.051 29.762 -0.045 0.000 1.377 47 H HN 0.330 nan 8.280 nan 0.000 0.504 48 A N 0.287 123.167 122.820 0.100 0.000 2.172 48 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 48 A C 1.395 179.022 177.584 0.072 0.000 1.154 48 A CA 1.377 53.479 52.037 0.109 0.000 0.701 48 A CB -0.067 19.026 19.000 0.155 0.000 0.789 48 A HN 0.373 nan 8.150 nan 0.000 0.465 49 D N -1.789 118.624 120.400 0.022 0.000 2.340 49 D HA 0.332 4.972 4.640 -0.000 0.000 0.217 49 D C 1.372 177.648 176.300 -0.039 0.000 1.081 49 D CA 1.111 55.125 54.000 0.024 0.000 0.842 49 D CB 0.565 41.383 40.800 0.031 0.000 0.934 49 D HN 0.498 nan 8.370 nan 0.000 0.511 50 G N 0.400 109.138 108.800 -0.104 0.000 2.391 50 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.204 50 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.204 50 G C 0.191 174.993 174.900 -0.164 0.000 1.012 50 G CA -0.317 44.706 45.100 -0.129 0.000 0.651 50 G HN 0.264 nan 8.290 nan 0.000 0.494 51 L N 3.287 124.428 121.223 -0.138 0.000 2.615 51 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 51 L C 0.925 177.706 176.870 -0.149 0.000 1.183 51 L CA 0.420 55.191 54.840 -0.115 0.000 0.933 51 L CB 0.158 42.174 42.059 -0.072 0.000 1.199 51 L HN 0.321 nan 8.230 nan 0.000 0.487 52 R N 4.733 125.170 120.500 -0.105 0.000 2.875 52 R HA 0.605 4.945 4.340 -0.000 0.000 0.251 52 R C -2.424 173.857 176.300 -0.031 0.000 1.123 52 R CA -2.110 53.950 56.100 -0.067 0.000 1.064 52 R CB 0.166 30.425 30.300 -0.068 0.000 1.205 52 R HN 0.325 nan 8.270 nan 0.000 0.503 53 P HA 0.048 nan 4.420 nan 0.000 0.271 53 P C -0.175 177.102 177.300 -0.037 0.000 1.233 53 P CA 0.111 63.194 63.100 -0.028 0.000 0.789 53 P CB 0.502 32.188 31.700 -0.023 0.000 0.951 54 Q N -2.389 117.382 119.800 -0.048 0.000 2.305 54 Q HA -0.248 4.092 4.340 -0.000 0.000 0.203 54 Q C -0.427 175.549 176.000 -0.041 0.000 0.663 54 Q CA 1.388 57.164 55.803 -0.044 0.000 1.389 54 Q CB -1.787 26.931 28.738 -0.034 0.000 1.566 54 Q HN 0.689 nan 8.270 nan 0.000 0.755 55 Q N 0.732 120.507 119.800 -0.043 0.000 2.279 55 Q HA 0.349 4.689 4.340 -0.000 0.000 0.256 55 Q C -0.211 175.764 176.000 -0.043 0.000 0.937 55 Q CA -0.162 55.617 55.803 -0.039 0.000 0.933 55 Q CB 0.833 29.547 28.738 -0.041 0.000 1.189 55 Q HN 0.085 nan 8.270 nan 0.000 0.417 56 R N 1.216 121.696 120.500 -0.034 0.000 2.389 56 R HA 0.349 4.689 4.340 -0.000 0.000 0.295 56 R C -0.790 175.492 176.300 -0.030 0.000 1.075 56 R CA -0.246 55.836 56.100 -0.032 0.000 1.005 56 R CB 0.645 30.938 30.300 -0.013 0.000 0.987 56 R HN 0.280 nan 8.270 nan 0.000 0.452 57 V N 2.126 122.018 119.914 -0.037 0.000 2.577 57 V HA 0.443 4.563 4.120 -0.000 0.000 0.303 57 V C 0.003 176.076 176.094 -0.035 0.000 1.042 57 V CA -1.130 61.148 62.300 -0.036 0.000 0.872 57 V CB 1.797 33.595 31.823 -0.042 0.000 0.998 57 V HN 0.947 nan 8.190 nan 0.000 0.423 58 A N 4.219 127.021 122.820 -0.030 0.000 2.388 58 A HA 0.721 5.041 4.320 -0.000 0.000 0.257 58 A C -0.356 177.204 177.584 -0.040 0.000 1.095 58 A CA -0.227 51.790 52.037 -0.034 0.000 0.791 58 A CB 0.641 19.616 19.000 -0.041 0.000 1.029 58 A HN 0.939 nan 8.150 nan 0.000 0.489 59 V N 3.061 122.946 119.914 -0.048 0.000 2.447 59 V HA 0.369 4.489 4.120 -0.000 0.000 0.292 59 V C -0.656 175.418 176.094 -0.033 0.000 1.021 59 V CA -0.479 61.799 62.300 -0.036 0.000 0.850 59 V CB 1.363 33.161 31.823 -0.043 0.000 1.005 59 V HN 0.608 nan 8.190 nan 0.000 0.426 60 V N 3.691 123.591 119.914 -0.022 0.000 2.304 60 V HA 0.927 5.047 4.120 -0.000 0.000 0.278 60 V C 0.225 176.327 176.094 0.014 0.000 1.018 60 V CA -0.148 62.135 62.300 -0.028 0.000 0.814 60 V CB 1.022 32.816 31.823 -0.048 0.000 1.021 60 V HN 1.077 nan 8.190 nan 0.000 0.440 61 A N 6.397 129.245 122.820 0.047 0.000 2.582 61 A HA 0.884 5.204 4.320 -0.000 0.000 0.297 61 A C -3.144 174.512 177.584 0.121 0.000 1.059 61 A CA -1.080 50.999 52.037 0.071 0.000 0.705 61 A CB 1.731 20.770 19.000 0.064 0.000 1.279 61 A HN 0.513 nan 8.150 nan 0.000 0.404 62 P HA 0.173 nan 4.420 nan 0.000 0.272 62 P C -0.548 176.826 177.300 0.123 0.000 1.230 62 P CA -0.331 62.852 63.100 0.138 0.000 0.788 62 P CB 0.346 32.109 31.700 0.104 0.000 0.949 63 N N 0.503 119.279 118.700 0.127 0.000 2.357 63 N HA 0.161 4.901 4.740 -0.000 0.000 0.257 63 N C 0.267 175.842 175.510 0.108 0.000 1.250 63 N CA 0.661 53.782 53.050 0.119 0.000 0.862 63 N CB -0.269 38.294 38.487 0.127 0.000 1.066 63 N HN 0.563 nan 8.380 nan 0.000 0.468 64 S N -0.558 115.207 115.700 0.107 0.000 2.595 64 S HA 0.608 5.078 4.470 -0.000 0.000 0.270 64 S C 0.513 175.167 174.600 0.089 0.000 1.145 64 S CA -0.354 57.901 58.200 0.091 0.000 0.825 64 S CB 0.650 63.891 63.200 0.067 0.000 1.107 64 S HN 0.401 nan 8.310 nan 0.000 0.461 65 A N 1.027 123.894 122.820 0.077 0.000 1.940 65 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 65 A C 1.561 179.171 177.584 0.043 0.000 1.176 65 A CA 2.077 54.153 52.037 0.064 0.000 0.631 65 A CB -1.135 17.895 19.000 0.050 0.000 0.814 65 A HN 0.850 nan 8.150 nan 0.000 0.446 66 D N -0.687 119.738 120.400 0.043 0.000 2.219 66 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 66 D C 1.866 178.188 176.300 0.037 0.000 0.970 66 D CA 1.231 55.253 54.000 0.037 0.000 0.851 66 D CB -0.283 40.540 40.800 0.037 0.000 0.943 66 D HN 0.260 nan 8.370 nan 0.000 0.488 67 V N 0.297 120.237 119.914 0.044 0.000 2.649 67 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 67 V C 2.308 178.423 176.094 0.036 0.000 1.054 67 V CA 0.722 63.048 62.300 0.042 0.000 1.073 67 V CB 0.107 31.962 31.823 0.052 0.000 0.699 67 V HN -0.040 nan 8.190 nan 0.000 0.463 68 V N 0.473 120.403 119.914 0.027 0.000 2.295 68 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 68 V C 2.281 178.389 176.094 0.023 0.000 1.049 68 V CA 2.662 64.964 62.300 0.003 0.000 1.024 68 V CB -0.473 31.313 31.823 -0.061 0.000 0.648 68 V HN 0.504 nan 8.190 nan 0.000 0.447 69 I N 0.211 120.793 120.570 0.020 0.000 2.286 69 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 69 I C 2.582 178.720 176.117 0.035 0.000 1.115 69 I CA 1.553 62.867 61.300 0.023 0.000 1.392 69 I CB -0.556 37.455 38.000 0.017 0.000 1.065 69 I HN 0.316 nan 8.210 nan 0.000 0.418 70 A N 0.960 123.800 122.820 0.034 0.000 1.898 70 A HA -0.070 4.250 4.320 -0.000 0.000 0.214 70 A C 2.268 179.878 177.584 0.042 0.000 1.183 70 A CA 1.021 53.076 52.037 0.030 0.000 0.622 70 A CB -0.622 18.393 19.000 0.025 0.000 0.824 70 A HN 0.316 nan 8.150 nan 0.000 0.444 71 I N -0.033 120.569 120.570 0.053 0.000 2.179 71 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 71 I C 2.261 178.477 176.117 0.164 0.000 1.088 71 I CA 1.190 62.535 61.300 0.075 0.000 1.357 71 I CB -0.312 37.716 38.000 0.047 0.000 1.051 71 I HN 0.272 nan 8.210 nan 0.000 0.409 72 L N 0.296 121.622 121.223 0.172 0.000 2.156 72 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 72 L C 2.786 179.754 176.870 0.162 0.000 1.095 72 L CA 0.973 55.943 54.840 0.217 0.000 0.770 72 L CB -0.712 41.439 42.059 0.152 0.000 0.914 72 L HN 0.227 nan 8.230 nan 0.000 0.439 73 A N 0.232 123.107 122.820 0.093 0.000 1.930 73 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 73 A C 2.253 179.862 177.584 0.041 0.000 1.175 73 A CA 1.129 53.197 52.037 0.051 0.000 0.627 73 A CB -0.490 18.524 19.000 0.023 0.000 0.815 73 A HN 0.333 nan 8.150 nan 0.000 0.443 74 L N -1.592 119.661 121.223 0.050 0.000 2.093 74 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 74 L C 2.620 179.501 176.870 0.019 0.000 1.085 74 L CA 1.676 56.528 54.840 0.021 0.000 0.755 74 L CB -0.545 41.519 42.059 0.008 0.000 0.904 74 L HN 0.632 nan 8.230 nan 0.000 0.435 75 H N 0.095 119.149 119.070 -0.027 0.000 2.389 75 H HA -0.177 4.379 4.556 -0.000 0.000 0.299 75 H C 2.270 177.585 175.328 -0.023 0.000 1.081 75 H CA 1.582 57.587 56.048 -0.072 0.000 1.345 75 H CB 0.132 29.933 29.762 0.064 0.000 1.393 75 H HN 0.027 nan 8.280 nan 0.000 0.520 76 R N 0.454 120.917 120.500 -0.061 0.000 2.090 76 R HA -0.010 4.330 4.340 -0.000 0.000 0.228 76 R C 2.340 178.576 176.300 -0.106 0.000 1.110 76 R CA 1.408 57.448 56.100 -0.100 0.000 0.973 76 R CB -1.020 29.279 30.300 -0.001 0.000 0.869 76 R HN 0.526 nan 8.270 nan 0.000 0.440 77 L N -1.295 119.889 121.223 -0.065 0.000 2.083 77 L HA 0.057 4.397 4.340 -0.000 0.000 0.209 77 L C 1.105 177.939 176.870 -0.060 0.000 1.083 77 L CA 1.844 56.663 54.840 -0.036 0.000 0.752 77 L CB -0.146 41.917 42.059 0.008 0.000 0.899 77 L HN 0.592 nan 8.230 nan 0.000 0.433 78 G N -1.894 106.836 108.800 -0.116 0.000 2.260 78 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.179 78 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.179 78 G C 0.370 175.205 174.900 -0.110 0.000 1.002 78 G CA -0.034 44.987 45.100 -0.132 0.000 0.677 78 G HN 0.693 nan 8.290 nan 0.000 0.486 79 A N -0.061 122.707 122.820 -0.087 0.000 2.386 79 A HA 0.616 4.936 4.320 -0.000 0.000 0.246 79 A C 0.520 178.031 177.584 -0.122 0.000 1.089 79 A CA 0.648 52.636 52.037 -0.081 0.000 0.790 79 A CB 0.731 19.695 19.000 -0.060 0.000 1.042 79 A HN 1.112 nan 8.150 nan 0.000 0.497 80 V N 3.368 123.212 119.914 -0.117 0.000 2.294 80 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 80 V C -2.385 173.629 176.094 -0.134 0.000 1.027 80 V CA -1.402 60.802 62.300 -0.160 0.000 0.823 80 V CB 0.886 32.645 31.823 -0.107 0.000 1.030 80 V HN 0.711 nan 8.190 nan 0.000 0.457 81 P HA 0.312 nan 4.420 nan 0.000 0.276 81 P C -0.505 176.719 177.300 -0.127 0.000 1.243 81 P CA 0.042 63.076 63.100 -0.111 0.000 0.768 81 P CB 0.890 32.546 31.700 -0.074 0.000 0.856 82 A N 5.230 127.996 122.820 -0.089 0.000 2.322 82 A HA 0.451 4.771 4.320 -0.000 0.000 0.327 82 A C -0.245 177.316 177.584 -0.039 0.000 1.394 82 A CA -0.666 51.351 52.037 -0.035 0.000 0.921 82 A CB -0.228 18.830 19.000 0.097 0.000 1.153 82 A HN 0.468 nan 8.150 nan 0.000 0.523 83 L N 3.195 124.302 121.223 -0.194 0.000 2.276 83 L HA 0.506 4.846 4.340 -0.000 0.000 0.286 83 L C -0.541 176.343 176.870 0.023 0.000 1.061 83 L CA -0.174 54.567 54.840 -0.166 0.000 0.807 83 L CB 0.862 42.681 42.059 -0.399 0.000 1.177 83 L HN 0.559 nan 8.230 nan 0.000 0.429 84 L N 3.323 124.516 121.223 -0.049 0.000 2.410 84 L HA 0.368 4.708 4.340 -0.000 0.000 0.270 84 L C 0.018 176.677 176.870 -0.353 0.000 0.983 84 L CA -0.691 54.016 54.840 -0.221 0.000 0.822 84 L CB 2.221 44.091 42.059 -0.315 0.000 1.285 84 L HN 0.542 nan 8.230 nan 0.000 0.409 85 N N 5.130 123.444 118.700 -0.643 0.000 2.434 85 N HA 0.035 4.775 4.740 -0.000 0.000 0.268 85 N C -1.647 173.561 175.510 -0.503 0.000 1.256 85 N CA -1.207 51.172 53.050 -1.119 0.000 0.914 85 N CB 1.107 39.027 38.487 -0.946 0.000 1.088 85 N HN 0.339 nan 8.380 nan 0.000 0.478 86 P HA -0.077 nan 4.420 nan 0.000 0.228 86 P C 0.525 177.765 177.300 -0.101 0.000 1.151 86 P CA 0.934 63.956 63.100 -0.131 0.000 0.770 86 P CB 0.349 32.039 31.700 -0.018 0.000 0.786 87 R N -0.930 119.497 120.500 -0.122 0.000 2.310 87 R HA 0.211 4.551 4.340 -0.000 0.000 0.202 87 R C 1.090 177.343 176.300 -0.078 0.000 0.933 87 R CA -0.302 55.759 56.100 -0.065 0.000 1.054 87 R CB -0.252 30.033 30.300 -0.025 0.000 0.985 87 R HN 0.260 nan 8.270 nan 0.000 0.489 88 L N 1.793 122.944 121.223 -0.121 0.000 2.492 88 L HA -0.032 4.308 4.340 -0.000 0.000 0.280 88 L C 0.688 177.512 176.870 -0.078 0.000 1.240 88 L CA 0.394 55.169 54.840 -0.108 0.000 0.831 88 L CB 0.267 42.235 42.059 -0.151 0.000 1.100 88 L HN -0.079 nan 8.230 nan 0.000 0.505 89 K N 1.394 121.756 120.400 -0.064 0.000 2.350 89 K HA 0.065 4.385 4.320 -0.000 0.000 0.279 89 K C 1.125 177.695 176.600 -0.051 0.000 1.027 89 K CA -0.042 56.217 56.287 -0.047 0.000 0.969 89 K CB 1.183 33.660 32.500 -0.038 0.000 0.954 89 K HN 0.619 nan 8.250 nan 0.000 0.474 90 S N 2.580 118.256 115.700 -0.040 0.000 2.412 90 S HA -0.336 4.134 4.470 -0.000 0.000 0.246 90 S C 1.924 176.501 174.600 -0.039 0.000 1.073 90 S CA 2.186 60.364 58.200 -0.035 0.000 1.186 90 S CB -0.300 62.887 63.200 -0.022 0.000 1.084 90 S HN 0.809 nan 8.310 nan 0.000 0.434 91 A N 1.110 123.910 122.820 -0.033 0.000 1.915 91 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 91 A C 1.995 179.554 177.584 -0.042 0.000 1.198 91 A CA 2.163 54.181 52.037 -0.031 0.000 0.647 91 A CB -0.788 18.197 19.000 -0.025 0.000 0.825 91 A HN 0.703 nan 8.150 nan 0.000 0.456 92 E N -0.442 119.726 120.200 -0.052 0.000 2.106 92 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 92 E C 1.987 178.532 176.600 -0.092 0.000 0.984 92 E CA 1.104 57.464 56.400 -0.067 0.000 0.806 92 E CB -0.288 29.368 29.700 -0.074 0.000 0.750 92 E HN 0.663 nan 8.360 nan 0.000 0.458 93 L N 0.695 121.858 121.223 -0.101 0.000 2.056 93 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 93 L C 2.614 179.427 176.870 -0.095 0.000 1.078 93 L CA 0.940 55.703 54.840 -0.128 0.000 0.749 93 L CB -0.454 41.535 42.059 -0.117 0.000 0.901 93 L HN 0.128 nan 8.230 nan 0.000 0.433 94 A N -0.482 122.300 122.820 -0.064 0.000 1.877 94 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 94 A C 2.267 179.826 177.584 -0.040 0.000 1.186 94 A CA 1.473 53.483 52.037 -0.046 0.000 0.620 94 A CB -0.432 18.549 19.000 -0.033 0.000 0.822 94 A HN 0.298 nan 8.150 nan 0.000 0.443 95 E N -0.016 120.160 120.200 -0.040 0.000 2.118 95 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 95 E C 1.932 178.519 176.600 -0.021 0.000 0.992 95 E CA 1.018 57.402 56.400 -0.027 0.000 0.804 95 E CB -0.304 29.381 29.700 -0.024 0.000 0.741 95 E HN 0.676 nan 8.360 nan 0.000 0.458 96 L N -0.230 120.965 121.223 -0.047 0.000 2.313 96 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 96 L C 2.288 179.156 176.870 -0.004 0.000 1.119 96 L CA 0.303 55.123 54.840 -0.033 0.000 0.809 96 L CB -0.101 41.864 42.059 -0.157 0.000 0.933 96 L HN 0.077 nan 8.230 nan 0.000 0.449 97 I N 0.005 120.557 120.570 -0.030 0.000 2.400 97 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 97 I C 3.046 179.163 176.117 -0.000 0.000 1.109 97 I CA 1.139 62.431 61.300 -0.013 0.000 1.425 97 I CB -0.452 37.528 38.000 -0.034 0.000 1.094 97 I HN 0.117 nan 8.210 nan 0.000 0.425 98 K N 1.181 121.578 120.400 -0.005 0.000 1.973 98 K HA -0.160 4.160 4.320 -0.000 0.000 0.212 98 K C 2.528 179.136 176.600 0.013 0.000 1.047 98 K CA 2.254 58.541 56.287 0.000 0.000 0.937 98 K CB -1.766 30.732 32.500 -0.004 0.000 0.721 98 K HN 0.346 nan 8.250 nan 0.000 0.440 99 R N 0.470 120.982 120.500 0.020 0.000 2.174 99 R HA -0.070 4.270 4.340 -0.000 0.000 0.253 99 R C 2.802 179.131 176.300 0.048 0.000 1.165 99 R CA 2.367 58.488 56.100 0.035 0.000 0.984 99 R CB -2.006 28.322 30.300 0.046 0.000 0.873 99 R HN 0.853 nan 8.270 nan 0.000 0.456 100 G N -0.215 108.618 108.800 0.055 0.000 2.679 100 G HA2 0.024 3.984 3.960 -0.000 0.000 0.212 100 G HA3 0.024 3.984 3.960 -0.000 0.000 0.212 100 G C 0.313 175.235 174.900 0.037 0.000 1.137 100 G CA 0.357 45.496 45.100 0.066 0.000 0.787 100 G HN 0.766 nan 8.290 nan 0.000 0.534 101 E N 0.101 120.314 120.200 0.022 0.000 2.160 101 E HA -0.172 4.178 4.350 -0.000 0.000 0.180 101 E C 0.098 176.700 176.600 0.003 0.000 1.452 101 E CA 0.144 56.550 56.400 0.009 0.000 0.683 101 E CB -0.739 28.966 29.700 0.008 0.000 1.072 101 E HN 0.370 nan 8.360 nan 0.000 0.332 102 M N -0.110 119.491 119.600 0.001 0.000 2.318 102 M HA 0.160 4.640 4.480 -0.000 0.000 0.347 102 M C 1.501 177.789 176.300 -0.019 0.000 1.175 102 M CA -0.243 55.053 55.300 -0.007 0.000 1.075 102 M CB 1.233 33.831 32.600 -0.003 0.000 1.614 102 M HN -0.029 nan 8.290 nan 0.000 0.456 103 T N 0.439 114.978 114.554 -0.025 0.000 2.937 103 T HA 0.289 4.639 4.350 -0.000 0.000 0.260 103 T C 0.804 175.480 174.700 -0.039 0.000 1.051 103 T CA 0.704 62.784 62.100 -0.033 0.000 1.141 103 T CB 0.150 68.996 68.868 -0.037 0.000 0.879 103 T HN 0.794 nan 8.240 nan 0.000 0.459 104 A N 0.252 123.048 122.820 -0.041 0.000 2.564 104 A HA 0.876 5.196 4.320 -0.000 0.000 0.288 104 A C -1.659 175.897 177.584 -0.046 0.000 1.164 104 A CA -0.670 51.338 52.037 -0.049 0.000 0.712 104 A CB 1.214 20.182 19.000 -0.054 0.000 1.303 104 A HN 0.454 nan 8.150 nan 0.000 0.418 105 A N 0.172 122.960 122.820 -0.054 0.000 2.353 105 A HA 0.621 4.941 4.320 -0.000 0.000 0.299 105 A C -1.073 176.484 177.584 -0.044 0.000 1.089 105 A CA -0.380 51.629 52.037 -0.046 0.000 0.736 105 A CB 1.030 20.003 19.000 -0.046 0.000 1.195 105 A HN 1.313 nan 8.150 nan 0.000 0.447 106 V N 4.228 124.125 119.914 -0.028 0.000 2.385 106 V HA 0.384 4.504 4.120 -0.000 0.000 0.269 106 V C 0.012 176.116 176.094 0.017 0.000 1.043 106 V CA 0.032 62.328 62.300 -0.006 0.000 0.906 106 V CB 0.645 32.466 31.823 -0.002 0.000 0.995 106 V HN 0.751 nan 8.190 nan 0.000 0.467 107 I N 3.568 124.171 120.570 0.056 0.000 2.509 107 I HA 0.621 4.791 4.170 -0.000 0.000 0.293 107 I C 0.487 176.675 176.117 0.118 0.000 1.020 107 I CA -0.495 60.855 61.300 0.083 0.000 1.088 107 I CB 2.221 40.284 38.000 0.106 0.000 1.267 107 I HN 0.646 nan 8.210 nan 0.000 0.430 108 A N 6.073 128.939 122.820 0.077 0.000 2.635 108 A HA 0.599 4.919 4.320 -0.000 0.000 0.279 108 A C 0.383 177.991 177.584 0.040 0.000 1.122 108 A CA 0.065 52.140 52.037 0.063 0.000 0.965 108 A CB -0.301 18.732 19.000 0.055 0.000 1.221 108 A HN 0.536 nan 8.150 nan 0.000 0.566 109 V N -0.041 119.896 119.914 0.039 0.000 3.546 109 V HA 0.609 4.729 4.120 -0.000 0.000 0.296 109 V C 1.102 177.205 176.094 0.015 0.000 1.082 109 V CA 0.024 62.337 62.300 0.021 0.000 1.086 109 V CB -0.195 31.636 31.823 0.012 0.000 1.174 109 V HN 0.461 nan 8.190 nan 0.000 0.464 110 G N -0.835 107.966 108.800 0.001 0.000 2.588 110 G HA2 0.496 4.456 3.960 -0.000 0.000 0.281 110 G HA3 0.496 4.456 3.960 -0.000 0.000 0.281 110 G C 0.984 175.880 174.900 -0.006 0.000 1.236 110 G CA 0.578 45.668 45.100 -0.016 0.000 0.969 110 G HN 1.494 nan 8.290 nan 0.000 0.504 111 R N -1.494 118.989 120.500 -0.029 0.000 2.159 111 R HA 0.025 4.365 4.340 -0.000 0.000 0.237 111 R C 2.676 178.988 176.300 0.020 0.000 1.131 111 R CA 2.581 58.674 56.100 -0.011 0.000 0.982 111 R CB -1.724 28.554 30.300 -0.037 0.000 0.868 111 R HN 0.937 nan 8.270 nan 0.000 0.453 112 Q N 0.090 119.896 119.800 0.009 0.000 2.331 112 Q HA 0.275 4.615 4.340 -0.000 0.000 0.203 112 Q C 2.468 178.475 176.000 0.012 0.000 0.944 112 Q CA 1.441 57.249 55.803 0.009 0.000 0.892 112 Q CB -0.475 28.263 28.738 0.000 0.000 0.983 112 Q HN 1.087 nan 8.270 nan 0.000 0.482 113 V N -3.111 116.813 119.914 0.016 0.000 2.878 113 V HA 0.366 4.486 4.120 -0.000 0.000 0.250 113 V C 2.433 178.544 176.094 0.030 0.000 1.075 113 V CA 1.432 63.739 62.300 0.012 0.000 1.096 113 V CB -0.337 31.487 31.823 0.001 0.000 0.724 113 V HN 0.510 nan 8.190 nan 0.000 0.467 114 A N 0.635 123.495 122.820 0.066 0.000 1.933 114 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 114 A C 1.803 179.425 177.584 0.063 0.000 1.175 114 A CA 2.036 54.133 52.037 0.100 0.000 0.628 114 A CB -0.840 18.303 19.000 0.238 0.000 0.814 114 A HN 0.580 nan 8.150 nan 0.000 0.444 115 D N 0.238 120.669 120.400 0.051 0.000 2.092 115 D HA -0.075 4.565 4.640 -0.000 0.000 0.193 115 D C 2.289 178.597 176.300 0.014 0.000 0.994 115 D CA 1.663 55.682 54.000 0.031 0.000 0.828 115 D CB -0.508 40.306 40.800 0.023 0.000 0.963 115 D HN 0.399 nan 8.370 nan 0.000 0.450 116 A N 0.902 123.726 122.820 0.008 0.000 1.884 116 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 116 A C 2.386 179.966 177.584 -0.007 0.000 1.197 116 A CA 1.643 53.678 52.037 -0.003 0.000 0.637 116 A CB -1.010 17.984 19.000 -0.010 0.000 0.827 116 A HN 0.267 nan 8.150 nan 0.000 0.450 117 I N -0.928 119.638 120.570 -0.006 0.000 2.163 117 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 117 I C 2.933 179.043 176.117 -0.012 0.000 1.085 117 I CA 1.995 63.287 61.300 -0.013 0.000 1.347 117 I CB -1.122 36.868 38.000 -0.017 0.000 1.044 117 I HN 0.443 nan 8.210 nan 0.000 0.408 118 F N 0.988 120.936 119.950 -0.004 0.000 2.085 118 F HA -0.328 4.199 4.527 -0.000 0.000 0.299 118 F C 2.628 178.424 175.800 -0.007 0.000 1.096 118 F CA 2.920 60.918 58.000 -0.004 0.000 1.227 118 F CB -1.518 37.488 39.000 0.009 0.000 0.983 118 F HN 0.355 nan 8.300 nan 0.000 0.482 119 Q N -0.987 118.810 119.800 -0.004 0.000 1.982 119 Q HA 0.232 4.572 4.340 -0.000 0.000 0.705 119 Q C 2.424 178.419 176.000 -0.009 0.000 0.979 119 Q CA 2.792 58.592 55.803 -0.006 0.000 0.728 119 Q CB -1.389 27.347 28.738 -0.004 0.000 3.346 119 Q HN 2.321 nan 8.270 nan 0.000 0.253 120 S N -3.380 112.314 115.700 -0.010 0.000 1.885 120 S HA -0.182 4.288 4.470 -0.000 0.000 0.220 120 S C 2.232 176.825 174.600 -0.011 0.000 0.988 120 S CA 3.709 61.902 58.200 -0.012 0.000 1.627 120 S CB -1.921 61.270 63.200 -0.016 0.000 2.182 120 S HN 2.824 nan 8.310 nan 0.000 0.556 121 G N 1.532 110.326 108.800 -0.011 0.000 2.163 121 G HA2 0.086 4.046 3.960 -0.000 0.000 0.207 121 G HA3 0.086 4.046 3.960 -0.000 0.000 0.207 121 G C 0.545 175.438 174.900 -0.012 0.000 2.263 121 G CA 0.844 45.938 45.100 -0.010 0.000 1.616 121 G HN 2.183 nan 8.290 nan 0.000 0.521 122 S N 1.853 117.545 115.700 -0.012 0.000 2.596 122 S HA 0.436 4.906 4.470 -0.000 0.000 0.298 122 S C 0.986 175.575 174.600 -0.018 0.000 1.255 122 S CA 0.931 59.123 58.200 -0.013 0.000 1.083 122 S CB 0.758 63.951 63.200 -0.012 0.000 0.837 122 S HN 1.988 nan 8.310 nan 0.000 0.499 123 G N 3.177 111.966 108.800 -0.019 0.000 2.661 123 G HA2 0.472 4.432 3.960 -0.000 0.000 0.292 123 G HA3 0.472 4.432 3.960 -0.000 0.000 0.292 123 G C 0.119 175.002 174.900 -0.028 0.000 0.781 123 G CA -0.148 44.937 45.100 -0.024 0.000 1.860 123 G HN 1.330 nan 8.290 nan 0.000 0.512 124 A N 4.037 126.837 122.820 -0.034 0.000 2.311 124 A HA 0.634 4.954 4.320 -0.000 0.000 0.306 124 A C 0.510 178.062 177.584 -0.054 0.000 1.189 124 A CA -0.880 51.133 52.037 -0.040 0.000 0.791 124 A CB 0.875 19.854 19.000 -0.035 0.000 1.172 124 A HN 0.671 nan 8.150 nan 0.000 0.481 125 R N 0.750 121.214 120.500 -0.060 0.000 2.486 125 R HA 0.141 4.481 4.340 -0.000 0.000 0.303 125 R C 0.482 176.717 176.300 -0.108 0.000 0.958 125 R CA 0.825 56.876 56.100 -0.082 0.000 1.077 125 R CB -0.081 30.174 30.300 -0.075 0.000 0.921 125 R HN 0.741 nan 8.270 nan 0.000 0.406 126 I N 5.221 125.700 120.570 -0.151 0.000 2.329 126 I HA 0.233 4.403 4.170 -0.000 0.000 0.295 126 I C 0.422 176.326 176.117 -0.356 0.000 1.109 126 I CA -0.238 60.933 61.300 -0.214 0.000 1.297 126 I CB -0.365 37.507 38.000 -0.214 0.000 1.433 126 I HN 0.599 nan 8.210 nan 0.000 0.509 127 I N 6.282 126.705 120.570 -0.245 0.000 2.315 127 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 127 I C -0.178 175.851 176.117 -0.147 0.000 1.006 127 I CA -0.320 60.842 61.300 -0.230 0.000 1.265 127 I CB 0.664 38.606 38.000 -0.097 0.000 1.387 127 I HN 0.591 nan 8.210 nan 0.000 0.475 128 F N 5.560 125.512 119.950 0.005 0.000 2.495 128 F HA 0.025 4.552 4.527 0.000 0.000 0.365 128 F C 1.299 177.104 175.800 0.007 0.000 1.090 128 F CA -0.669 57.335 58.000 0.006 0.000 1.235 128 F CB 0.706 39.711 39.000 0.008 0.000 1.119 128 F HN 0.503 nan 8.300 nan 0.000 0.562 129 L N 4.061 125.401 121.223 0.195 0.000 2.043 129 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 129 L C 2.247 179.176 176.870 0.098 0.000 1.075 129 L CA 2.218 57.123 54.840 0.109 0.000 0.752 129 L CB -0.947 41.161 42.059 0.081 0.000 0.891 129 L HN 0.764 nan 8.230 nan 0.000 0.432 130 G N -1.957 106.907 108.800 0.107 0.000 2.776 130 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.209 130 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.209 130 G C 0.946 175.904 174.900 0.098 0.000 1.145 130 G CA 0.549 45.696 45.100 0.078 0.000 0.791 130 G HN 0.408 nan 8.290 nan 0.000 0.530 131 D N -0.150 120.333 120.400 0.139 0.000 2.349 131 D HA 0.130 4.770 4.640 -0.000 0.000 0.215 131 D C 2.220 178.572 176.300 0.086 0.000 1.016 131 D CA 0.184 54.263 54.000 0.131 0.000 0.870 131 D CB 0.573 41.471 40.800 0.162 0.000 0.917 131 D HN 0.351 nan 8.370 nan 0.000 0.524 132 L N -0.870 120.393 121.223 0.066 0.000 2.519 132 L HA 0.217 4.557 4.340 -0.000 0.000 0.194 132 L C 0.154 177.042 176.870 0.029 0.000 1.072 132 L CA 0.276 55.136 54.840 0.033 0.000 0.845 132 L CB 0.662 42.733 42.059 0.020 0.000 1.138 132 L HN -0.276 nan 8.230 nan 0.000 0.487 133 V N 0.576 120.512 119.914 0.037 0.000 2.612 133 V HA 0.434 4.554 4.120 -0.000 0.000 0.301 133 V C -0.837 175.278 176.094 0.035 0.000 1.059 133 V CA -0.632 61.686 62.300 0.031 0.000 0.886 133 V CB 2.324 34.163 31.823 0.026 0.000 1.007 133 V HN 0.205 nan 8.190 nan 0.000 0.426 134 R N 3.197 123.716 120.500 0.031 0.000 2.476 134 R HA 0.392 4.732 4.340 -0.000 0.000 0.305 134 R C -0.894 175.420 176.300 0.023 0.000 0.965 134 R CA -0.328 55.789 56.100 0.028 0.000 0.867 134 R CB 1.242 31.558 30.300 0.028 0.000 1.176 134 R HN 0.863 nan 8.270 nan 0.000 0.447 135 D N 3.562 123.975 120.400 0.022 0.000 2.699 135 D HA -0.177 4.463 4.640 -0.000 0.000 0.239 135 D C 0.760 177.071 176.300 0.018 0.000 1.136 135 D CA 1.823 55.834 54.000 0.019 0.000 0.668 135 D CB -0.983 39.826 40.800 0.015 0.000 1.060 135 D HN 1.089 nan 8.370 nan 0.000 0.429 136 G N -0.657 108.155 108.800 0.020 0.000 2.189 136 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 136 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 136 G C 0.023 174.932 174.900 0.015 0.000 0.975 136 G CA 0.567 45.676 45.100 0.017 0.000 0.644 136 G HN 0.375 nan 8.290 nan 0.000 0.537 137 E N 1.350 121.560 120.200 0.018 0.000 2.092 137 E HA 0.415 4.765 4.350 -0.000 0.000 0.271 137 E C -2.065 174.548 176.600 0.021 0.000 0.919 137 E CA -1.958 54.453 56.400 0.019 0.000 0.760 137 E CB 2.009 31.721 29.700 0.020 0.000 1.106 137 E HN 0.342 nan 8.360 nan 0.000 0.408 138 P HA 0.183 nan 4.420 nan 0.000 0.279 138 P C -0.710 176.605 177.300 0.026 0.000 1.252 138 P CA -0.243 62.866 63.100 0.015 0.000 0.811 138 P CB 0.422 32.122 31.700 0.000 0.000 1.035 139 Y N -0.391 119.929 120.300 0.033 0.000 2.417 139 Y HA 0.527 5.077 4.550 -0.000 0.000 0.336 139 Y C 0.546 176.470 175.900 0.041 0.000 0.961 139 Y CA -1.036 57.105 58.100 0.068 0.000 1.215 139 Y CB 0.569 39.094 38.460 0.108 0.000 1.120 139 Y HN 0.561 nan 8.280 nan 0.000 0.499 140 S N 2.593 118.316 115.700 0.038 0.000 2.482 140 S HA 0.849 5.319 4.470 -0.000 0.000 0.303 140 S C -1.079 173.548 174.600 0.045 0.000 1.091 140 S CA -0.560 57.601 58.200 -0.065 0.000 1.057 140 S CB 0.896 64.064 63.200 -0.054 0.000 1.031 140 S HN 1.414 nan 8.310 nan 0.000 0.485 141 Y N -0.694 119.617 120.300 0.019 0.000 2.581 141 Y HA 0.898 5.448 4.550 -0.000 0.000 0.345 141 Y C 0.222 176.135 175.900 0.023 0.000 1.036 141 Y CA -0.576 57.535 58.100 0.018 0.000 1.042 141 Y CB 0.740 39.210 38.460 0.017 0.000 1.289 141 Y HN 1.472 nan 8.280 nan 0.000 0.471 142 G N 1.286 110.203 108.800 0.195 0.000 2.690 142 G HA2 0.062 4.022 3.960 -0.000 0.000 0.686 142 G HA3 0.062 4.022 3.960 -0.000 0.000 0.686 142 G C -2.962 171.967 174.900 0.048 0.000 1.277 142 G CA -0.932 44.236 45.100 0.112 0.000 0.799 142 G HN 0.709 nan 8.290 nan 0.000 0.613 143 P HA 0.385 nan 4.420 nan 0.000 0.272 143 P C -2.091 175.193 177.300 -0.026 0.000 1.230 143 P CA -0.915 62.187 63.100 0.003 0.000 0.788 143 P CB -0.200 31.499 31.700 -0.001 0.000 0.949 144 P HA 0.128 nan 4.420 nan 0.000 0.270 144 P C -0.239 177.005 177.300 -0.094 0.000 1.221 144 P CA 0.158 63.225 63.100 -0.054 0.000 0.788 144 P CB 0.386 32.064 31.700 -0.036 0.000 0.904 145 I N 0.014 120.508 120.570 -0.127 0.000 2.797 145 I HA 0.214 4.384 4.170 -0.000 0.000 0.307 145 I C 0.492 176.512 176.117 -0.162 0.000 1.033 145 I CA -1.325 59.844 61.300 -0.219 0.000 1.071 145 I CB 1.504 39.299 38.000 -0.342 0.000 1.255 145 I HN 0.446 nan 8.210 nan 0.000 0.445 146 E N 2.097 122.191 120.200 -0.175 0.000 2.366 146 E HA 0.185 4.535 4.350 -0.000 0.000 0.266 146 E C -1.060 175.486 176.600 -0.090 0.000 1.051 146 E CA -0.532 55.805 56.400 -0.105 0.000 0.884 146 E CB 0.582 30.233 29.700 -0.081 0.000 1.006 146 E HN 0.361 nan 8.360 nan 0.000 0.417 147 D N 3.491 123.853 120.400 -0.063 0.000 2.336 147 D HA 0.163 4.803 4.640 -0.000 0.000 0.249 147 D C -1.936 174.333 176.300 -0.052 0.000 1.213 147 D CA -1.993 51.972 54.000 -0.059 0.000 0.870 147 D CB 0.604 41.378 40.800 -0.043 0.000 1.076 147 D HN 0.297 nan 8.370 nan 0.000 0.483 148 P HA 0.056 nan 4.420 nan 0.000 0.269 148 P C -0.412 176.863 177.300 -0.041 0.000 1.215 148 P CA -0.403 62.669 63.100 -0.045 0.000 0.780 148 P CB 0.654 32.322 31.700 -0.052 0.000 0.898 149 Q N 1.601 121.384 119.800 -0.028 0.000 2.337 149 Q HA 0.134 4.474 4.340 -0.000 0.000 0.270 149 Q C -0.157 175.829 176.000 -0.023 0.000 1.002 149 Q CA 0.617 56.407 55.803 -0.020 0.000 0.888 149 Q CB 0.394 29.124 28.738 -0.013 0.000 1.222 149 Q HN 0.275 nan 8.270 nan 0.000 0.400 150 R N 2.602 123.093 120.500 -0.014 0.000 2.637 150 R HA 0.440 4.779 4.340 -0.000 0.000 0.291 150 R C -0.805 175.500 176.300 0.008 0.000 0.963 150 R CA -0.877 55.219 56.100 -0.006 0.000 0.901 150 R CB 1.590 31.892 30.300 0.003 0.000 1.160 150 R HN 0.510 nan 8.270 nan 0.000 0.457 151 E N 3.213 123.418 120.200 0.009 0.000 2.199 151 E HA 0.199 4.549 4.350 -0.000 0.000 0.269 151 E C -1.776 174.832 176.600 0.014 0.000 0.899 151 E CA -2.206 54.199 56.400 0.008 0.000 0.772 151 E CB 1.951 31.650 29.700 -0.001 0.000 1.155 151 E HN 0.296 nan 8.360 nan 0.000 0.408 152 P HA -0.241 nan 4.420 nan 0.000 0.217 152 P C 0.780 178.082 177.300 0.003 0.000 1.158 152 P CA 1.674 64.780 63.100 0.011 0.000 0.887 152 P CB 0.286 31.987 31.700 0.002 0.000 0.792 153 A N -1.057 121.758 122.820 -0.009 0.000 2.218 153 A HA -0.032 4.288 4.320 -0.000 0.000 0.209 153 A C 1.463 179.038 177.584 -0.015 0.000 1.168 153 A CA -0.104 51.920 52.037 -0.021 0.000 0.804 153 A CB -0.895 18.084 19.000 -0.035 0.000 0.834 153 A HN 0.220 nan 8.150 nan 0.000 0.482 154 Q N 0.988 120.786 119.800 -0.004 0.000 2.361 154 Q HA 0.105 4.445 4.340 -0.000 0.000 0.276 154 Q C -2.457 173.549 176.000 0.009 0.000 1.022 154 Q CA -1.679 54.122 55.803 -0.003 0.000 0.898 154 Q CB 0.482 29.220 28.738 -0.001 0.000 1.246 154 Q HN 0.137 nan 8.270 nan 0.000 0.410 155 P HA -0.039 nan 4.420 nan 0.000 0.266 155 P C -1.093 176.212 177.300 0.010 0.000 1.195 155 P CA 0.416 63.523 63.100 0.012 0.000 0.768 155 P CB 1.004 32.700 31.700 -0.006 0.000 0.838 156 A N 2.312 125.161 122.820 0.048 0.000 1.975 156 A HA 0.435 4.755 4.320 -0.000 0.000 0.197 156 A C -0.126 177.241 177.584 -0.361 0.000 1.537 156 A CA 0.784 52.791 52.037 -0.049 0.000 0.972 156 A CB 0.137 19.259 19.000 0.204 0.000 1.019 156 A HN 0.451 nan 8.150 nan 0.000 0.488 157 F N -1.412 118.615 119.950 0.129 0.000 2.645 157 F HA 0.641 5.168 4.527 0.000 0.000 0.310 157 F C -0.797 175.011 175.800 0.014 0.000 1.102 157 F CA -0.686 57.333 58.000 0.031 0.000 0.952 157 F CB 1.782 40.859 39.000 0.129 0.000 1.326 157 F HN -0.110 nan 8.300 nan 0.000 0.456 158 I N 2.299 122.866 120.570 -0.005 0.000 2.439 158 I HA 0.404 4.574 4.170 -0.000 0.000 0.285 158 I C -1.351 174.558 176.117 -0.347 0.000 1.021 158 I CA -0.333 60.905 61.300 -0.102 0.000 1.091 158 I CB 1.394 39.313 38.000 -0.134 0.000 1.242 158 I HN 0.359 nan 8.210 nan 0.000 0.439 159 F N 4.811 124.698 119.950 -0.105 0.000 2.538 159 F HA 0.545 5.072 4.527 -0.000 0.000 0.325 159 F C -0.556 175.104 175.800 -0.234 0.000 1.066 159 F CA -0.660 57.307 58.000 -0.055 0.000 0.946 159 F CB 1.553 40.542 39.000 -0.019 0.000 1.199 159 F HN 0.190 nan 8.300 nan 0.000 0.473 160 Y N 0.438 120.844 120.300 0.177 0.000 2.360 160 Y HA 0.383 4.933 4.550 0.000 0.000 0.337 160 Y C 0.935 176.876 175.900 0.069 0.000 1.039 160 Y CA -0.824 57.332 58.100 0.094 0.000 1.109 160 Y CB 1.666 40.147 38.460 0.035 0.000 1.201 160 Y HN 0.716 nan 8.280 nan 0.000 0.458 161 T N -1.190 113.452 114.554 0.148 0.000 4.593 161 T HA 0.644 4.994 4.350 -0.000 0.000 0.269 161 T C 0.313 175.059 174.700 0.077 0.000 0.942 161 T CA 0.400 62.543 62.100 0.072 0.000 1.517 161 T CB 0.177 69.057 68.868 0.020 0.000 2.123 161 T HN 0.725 nan 8.240 nan 0.000 0.377 166 G N 0.588 109.380 108.800 -0.013 0.000 2.372 166 G HA2 0.756 4.716 3.960 -0.000 0.000 0.323 166 G HA3 0.756 4.716 3.960 -0.000 0.000 0.323 166 G C -0.545 174.346 174.900 -0.014 0.000 1.152 166 G CA -0.210 44.882 45.100 -0.012 0.000 0.906 166 G HN 1.788 nan 8.290 nan 0.000 0.460 167 L N 1.676 122.892 121.223 -0.012 0.000 1.997 167 L HA -0.084 4.256 4.340 -0.000 0.000 0.543 167 L C -2.269 174.604 176.870 0.005 0.000 1.001 167 L CA -0.679 54.157 54.840 -0.007 0.000 1.210 167 L CB -0.676 41.380 42.059 -0.005 0.000 1.886 167 L HN 0.564 nan 8.230 nan 0.000 0.996 168 P HA 0.242 nan 4.420 nan 0.000 0.268 168 P C -1.003 176.378 177.300 0.135 0.000 1.205 168 P CA -0.057 63.091 63.100 0.080 0.000 0.771 168 P CB 0.464 32.239 31.700 0.126 0.000 0.858 169 K N 1.260 121.687 120.400 0.045 0.000 2.130 169 K HA 0.639 4.959 4.320 -0.000 0.000 0.268 169 K C -0.305 176.306 176.600 0.018 0.000 0.983 169 K CA -0.900 55.368 56.287 -0.032 0.000 0.893 169 K CB 1.522 33.760 32.500 -0.437 0.000 1.066 169 K HN 0.373 nan 8.250 nan 0.000 0.450 170 A N 1.947 124.746 122.820 -0.034 0.000 2.391 170 A HA 0.441 4.761 4.320 -0.000 0.000 0.316 170 A C -0.024 177.556 177.584 -0.006 0.000 1.381 170 A CA -0.573 51.215 52.037 -0.414 0.000 0.998 170 A CB -0.110 18.670 19.000 -0.368 0.000 1.147 170 A HN 0.749 nan 8.150 nan 0.000 0.545 171 A N 3.565 126.395 122.820 0.016 0.000 2.354 171 A HA 0.576 4.896 4.320 -0.000 0.000 0.281 171 A C 0.006 177.675 177.584 0.143 0.000 1.174 171 A CA -0.282 51.855 52.037 0.166 0.000 0.828 171 A CB -0.192 18.795 19.000 -0.021 0.000 1.099 171 A HN 0.757 nan 8.150 nan 0.000 0.516 172 I N 3.971 124.659 120.570 0.197 0.000 2.352 172 I HA 0.152 4.322 4.170 -0.000 0.000 0.290 172 I C -0.395 175.815 176.117 0.156 0.000 1.036 172 I CA -0.307 61.067 61.300 0.123 0.000 1.336 172 I CB 0.853 38.878 38.000 0.043 0.000 1.407 172 I HN 0.407 nan 8.210 nan 0.000 0.497 173 I N 9.323 130.020 120.570 0.212 0.000 2.291 173 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 173 I C -1.979 174.254 176.117 0.193 0.000 1.050 173 I CA -2.655 58.781 61.300 0.226 0.000 1.245 173 I CB 0.315 38.561 38.000 0.410 0.000 1.405 173 I HN 0.257 nan 8.210 nan 0.000 0.478 174 P HA 0.109 nan 4.420 nan 0.000 0.274 174 P C 0.524 177.889 177.300 0.108 0.000 1.237 174 P CA -0.328 62.812 63.100 0.067 0.000 0.793 174 P CB 1.131 32.832 31.700 0.001 0.000 0.977 175 Q N 1.969 121.835 119.800 0.110 0.000 2.142 175 Q HA -0.227 4.113 4.340 -0.000 0.000 0.213 175 Q C 1.972 178.033 176.000 0.101 0.000 1.004 175 Q CA 2.274 58.162 55.803 0.142 0.000 0.883 175 Q CB -0.764 28.035 28.738 0.102 0.000 0.939 175 Q HN 0.633 nan 8.270 nan 0.000 0.413 176 R N -0.186 120.338 120.500 0.040 0.000 2.357 176 R HA 0.156 4.496 4.340 -0.000 0.000 0.202 176 R C 1.604 177.877 176.300 -0.045 0.000 1.047 176 R CA 1.003 57.105 56.100 0.003 0.000 1.034 176 R CB -0.138 30.153 30.300 -0.016 0.000 0.875 176 R HN 0.122 nan 8.270 nan 0.000 0.473 177 A N 0.756 123.541 122.820 -0.060 0.000 2.169 177 A HA 0.386 4.706 4.320 -0.000 0.000 0.210 177 A C 2.289 179.707 177.584 -0.277 0.000 1.168 177 A CA 0.422 52.351 52.037 -0.180 0.000 0.813 177 A CB -0.092 18.789 19.000 -0.198 0.000 0.861 177 A HN 0.422 nan 8.150 nan 0.000 0.481 178 A N 0.277 123.011 122.820 -0.143 0.000 1.908 178 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 178 A C 1.945 179.448 177.584 -0.134 0.000 1.181 178 A CA 1.843 53.805 52.037 -0.125 0.000 0.627 178 A CB -0.452 18.644 19.000 0.160 0.000 0.818 178 A HN 0.600 nan 8.150 nan 0.000 0.445 179 E N -0.155 119.984 120.200 -0.102 0.000 2.047 179 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 179 E C 2.276 178.786 176.600 -0.151 0.000 0.987 179 E CA 1.479 57.836 56.400 -0.070 0.000 0.799 179 E CB -0.066 29.618 29.700 -0.027 0.000 0.752 179 E HN 0.777 nan 8.360 nan 0.000 0.449 180 S N -0.122 115.361 115.700 -0.361 0.000 2.496 180 S HA 0.036 4.506 4.470 -0.000 0.000 0.224 180 S C 1.708 176.084 174.600 -0.373 0.000 0.996 180 S CA 0.064 57.809 58.200 -0.758 0.000 0.927 180 S CB -0.016 62.324 63.200 -1.433 0.000 0.774 180 S HN 0.130 nan 8.310 nan 0.000 0.524 181 R N 0.352 120.688 120.500 -0.274 0.000 2.235 181 R HA 0.156 4.496 4.340 -0.000 0.000 0.213 181 R C 1.503 177.883 176.300 0.133 0.000 1.059 181 R CA 0.814 56.839 56.100 -0.125 0.000 0.997 181 R CB -0.175 29.759 30.300 -0.610 0.000 0.884 181 R HN 0.357 nan 8.270 nan 0.000 0.462 182 V N 0.161 120.088 119.914 0.023 0.000 2.521 182 V HA -0.053 4.067 4.120 -0.000 0.000 0.239 182 V C 1.897 177.949 176.094 -0.069 0.000 1.053 182 V CA 0.872 63.162 62.300 -0.016 0.000 1.073 182 V CB -0.061 31.753 31.823 -0.014 0.000 0.746 182 V HN 0.225 nan 8.190 nan 0.000 0.476 183 L N 0.488 121.735 121.223 0.040 0.000 2.362 183 L HA -0.123 4.217 4.340 -0.000 0.000 0.219 183 L C 2.378 179.380 176.870 0.221 0.000 1.134 183 L CA 1.321 56.238 54.840 0.128 0.000 0.807 183 L CB -0.537 41.689 42.059 0.278 0.000 0.927 183 L HN 0.589 nan 8.230 nan 0.000 0.447 184 F N -1.573 118.509 119.950 0.221 0.000 2.365 184 F HA -0.131 4.396 4.527 0.000 0.000 0.300 184 F C 2.195 178.040 175.800 0.076 0.000 1.090 184 F CA 0.753 58.896 58.000 0.238 0.000 1.408 184 F CB -0.483 38.633 39.000 0.194 0.000 1.060 184 F HN -0.041 nan 8.300 nan 0.000 0.534 185 M N 0.386 119.454 119.600 -0.885 0.000 2.374 185 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 185 M C 2.356 178.471 176.300 -0.309 0.000 1.067 185 M CA 1.287 56.190 55.300 -0.662 0.000 1.103 185 M CB -1.257 31.008 32.600 -0.558 0.000 1.402 185 M HN 0.513 nan 8.290 nan 0.000 0.444 186 S N -0.108 115.477 115.700 -0.190 0.000 2.398 186 S HA -0.065 4.405 4.470 -0.000 0.000 0.220 186 S C 2.007 176.548 174.600 -0.098 0.000 1.046 186 S CA 1.490 59.618 58.200 -0.120 0.000 0.953 186 S CB -0.291 62.866 63.200 -0.071 0.000 0.856 186 S HN 0.563 nan 8.310 nan 0.000 0.506 187 T N -0.357 114.150 114.554 -0.077 0.000 2.746 187 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 187 T C 1.843 176.468 174.700 -0.124 0.000 1.039 187 T CA 1.475 63.496 62.100 -0.133 0.000 1.142 187 T CB -0.486 68.267 68.868 -0.192 0.000 0.866 187 T HN 0.330 nan 8.240 nan 0.000 0.444 188 Q N 0.125 119.848 119.800 -0.127 0.000 2.200 188 Q HA 0.323 4.663 4.340 -0.000 0.000 0.197 188 Q C 2.505 178.462 176.000 -0.071 0.000 0.953 188 Q CA 0.786 56.404 55.803 -0.309 0.000 0.851 188 Q CB -0.169 28.341 28.738 -0.380 0.000 0.938 188 Q HN 0.432 nan 8.270 nan 0.000 0.488 189 V N -1.425 118.444 119.914 -0.075 0.000 2.992 189 V HA 0.213 4.333 4.120 -0.000 0.000 0.250 189 V C 1.168 177.231 176.094 -0.052 0.000 1.090 189 V CA 1.229 63.496 62.300 -0.055 0.000 1.101 189 V CB 0.294 32.025 31.823 -0.154 0.000 0.743 189 V HN 0.565 nan 8.190 nan 0.000 0.468 190 G N 0.043 108.786 108.800 -0.095 0.000 2.148 190 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.203 190 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.203 190 G C 0.040 174.858 174.900 -0.137 0.000 0.993 190 G CA -0.200 44.878 45.100 -0.037 0.000 0.661 190 G HN 0.357 nan 8.290 nan 0.000 0.518 191 L N 1.140 122.201 121.223 -0.270 0.000 2.426 191 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 191 L C 1.306 178.136 176.870 -0.067 0.000 1.169 191 L CA -0.335 54.361 54.840 -0.240 0.000 0.836 191 L CB 0.556 42.452 42.059 -0.271 0.000 1.112 191 L HN 0.470 nan 8.230 nan 0.000 0.465 192 R N 1.042 121.563 120.500 0.035 0.000 2.873 192 R HA 0.415 4.755 4.340 -0.000 0.000 0.264 192 R C -0.257 176.120 176.300 0.129 0.000 1.026 192 R CA -0.971 55.182 56.100 0.089 0.000 1.002 192 R CB 1.232 31.598 30.300 0.109 0.000 1.174 192 R HN 0.546 nan 8.270 nan 0.000 0.488 193 H N 0.081 119.182 119.070 0.050 0.000 2.897 193 H HA 0.294 4.850 4.556 -0.000 0.000 0.347 193 H C -0.299 175.119 175.328 0.150 0.000 1.068 193 H CA 1.752 57.831 56.048 0.051 0.000 1.426 193 H CB 0.670 30.441 29.762 0.015 0.000 1.410 193 H HN 0.896 nan 8.280 nan 0.000 0.597 194 G N 4.149 112.579 108.800 -0.618 0.000 2.318 194 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.302 194 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.302 194 G C 0.157 174.947 174.900 -0.183 0.000 1.633 194 G CA -0.675 44.297 45.100 -0.213 0.000 0.965 194 G HN 0.632 nan 8.290 nan 0.000 0.698 195 R N 0.294 120.696 120.500 -0.163 0.000 2.328 195 R HA -0.042 4.298 4.340 -0.000 0.000 0.207 195 R C 1.956 178.230 176.300 -0.043 0.000 1.056 195 R CA 1.109 57.022 56.100 -0.310 0.000 1.016 195 R CB -0.151 29.806 30.300 -0.572 0.000 0.872 195 R HN 0.768 nan 8.270 nan 0.000 0.471 196 H N -0.526 118.495 119.070 -0.082 0.000 2.546 196 H HA 0.064 4.620 4.556 -0.000 0.000 0.277 196 H C 0.093 175.437 175.328 0.027 0.000 1.004 196 H CA 0.088 56.134 56.048 -0.004 0.000 1.231 196 H CB -0.445 29.315 29.762 -0.004 0.000 1.382 196 H HN -0.053 nan 8.280 nan 0.000 0.580 197 N N 1.626 119.979 118.700 -0.579 0.000 2.438 197 N HA 0.093 4.833 4.740 -0.000 0.000 0.267 197 N C -0.935 174.506 175.510 -0.116 0.000 1.222 197 N CA 0.153 52.948 53.050 -0.425 0.000 0.930 197 N CB 1.526 39.779 38.487 -0.391 0.000 1.083 197 N HN 0.040 nan 8.380 nan 0.000 0.476 198 V N 3.752 123.627 119.914 -0.065 0.000 2.419 198 V HA 0.231 4.351 4.120 -0.000 0.000 0.287 198 V C -0.125 175.957 176.094 -0.021 0.000 1.017 198 V CA -0.738 61.551 62.300 -0.018 0.000 0.844 198 V CB 1.941 33.764 31.823 0.001 0.000 1.011 198 V HN 0.219 nan 8.190 nan 0.000 0.429 199 V N 6.167 126.063 119.914 -0.030 0.000 2.357 199 V HA 0.424 4.544 4.120 -0.000 0.000 0.284 199 V C -0.219 175.801 176.094 -0.123 0.000 1.018 199 V CA -0.631 61.651 62.300 -0.029 0.000 0.841 199 V CB 1.760 33.598 31.823 0.026 0.000 0.991 199 V HN 0.668 nan 8.190 nan 0.000 0.437 200 L N 5.126 126.292 121.223 -0.095 0.000 2.278 200 L HA 0.619 4.959 4.340 -0.000 0.000 0.287 200 L C 0.983 177.735 176.870 -0.196 0.000 1.072 200 L CA 0.432 55.177 54.840 -0.160 0.000 0.819 200 L CB 0.940 42.962 42.059 -0.062 0.000 1.176 200 L HN 0.685 nan 8.230 nan 0.000 0.435 201 G N 6.160 114.701 108.800 -0.431 0.000 2.915 201 G HA2 0.306 4.266 3.960 -0.000 0.000 0.298 201 G HA3 0.306 4.266 3.960 -0.000 0.000 0.298 201 G C 0.639 175.490 174.900 -0.082 0.000 0.837 201 G CA -0.301 44.621 45.100 -0.297 0.000 1.752 201 G HN 0.769 nan 8.290 nan 0.000 0.526 202 L N 1.160 122.364 121.223 -0.032 0.000 2.416 202 L HA 0.247 4.587 4.340 -0.000 0.000 0.216 202 L C 1.214 178.089 176.870 0.009 0.000 1.098 202 L CA 0.071 54.886 54.840 -0.042 0.000 0.840 202 L CB -0.105 41.879 42.059 -0.125 0.000 0.981 202 L HN 0.330 nan 8.230 nan 0.000 0.462 203 M N 2.096 121.701 119.600 0.007 0.000 2.200 203 M HA 0.241 4.721 4.480 -0.000 0.000 0.355 203 M C -2.152 174.099 176.300 -0.081 0.000 1.283 203 M CA -2.299 52.962 55.300 -0.066 0.000 1.124 203 M CB 0.297 32.786 32.600 -0.185 0.000 1.625 203 M HN -0.237 nan 8.290 nan 0.000 0.463 204 P HA 0.065 nan 4.420 nan 0.000 0.269 204 P C 0.577 177.676 177.300 -0.336 0.000 1.209 204 P CA -0.055 62.838 63.100 -0.346 0.000 0.776 204 P CB 0.679 31.879 31.700 -0.833 0.000 0.876 205 L N 1.911 123.029 121.223 -0.175 0.000 2.465 205 L HA -0.123 4.217 4.340 -0.000 0.000 0.224 205 L C 2.021 178.940 176.870 0.081 0.000 1.145 205 L CA 1.030 55.876 54.840 0.009 0.000 0.834 205 L CB -0.880 41.224 42.059 0.075 0.000 0.944 205 L HN 0.483 nan 8.230 nan 0.000 0.451 206 Y N -3.443 116.970 120.300 0.188 0.000 2.529 206 Y HA 0.151 4.701 4.550 -0.000 0.000 0.290 206 Y C 1.149 177.291 175.900 0.404 0.000 1.177 206 Y CA -0.485 57.746 58.100 0.219 0.000 1.305 206 Y CB -0.708 37.819 38.460 0.113 0.000 1.047 206 Y HN 0.047 nan 8.280 nan 0.000 0.522 207 H N 1.858 120.952 119.070 0.040 0.000 2.467 207 H HA 0.208 4.764 4.556 0.000 0.000 0.326 207 H C 1.373 176.627 175.328 -0.123 0.000 1.094 207 H CA -0.014 56.054 56.048 0.033 0.000 1.253 207 H CB 2.443 32.132 29.762 -0.122 0.000 1.439 207 H HN 0.191 nan 8.280 nan 0.000 0.479 208 V N 3.397 123.011 119.914 -0.501 0.000 2.439 208 V HA -0.217 3.903 4.120 -0.000 0.000 0.253 208 V C 1.915 177.990 176.094 -0.031 0.000 1.074 208 V CA 1.749 63.709 62.300 -0.566 0.000 1.076 208 V CB -1.201 30.291 31.823 -0.552 0.000 0.664 208 V HN 0.453 nan 8.190 nan 0.000 0.461 209 V N 1.726 121.759 119.914 0.198 0.000 2.323 209 V HA -0.017 4.103 4.120 -0.000 0.000 0.244 209 V C 2.962 178.966 176.094 -0.150 0.000 1.041 209 V CA 2.138 64.406 62.300 -0.053 0.000 1.025 209 V CB -1.425 30.138 31.823 -0.434 0.000 0.656 209 V HN 0.631 nan 8.190 nan 0.000 0.451 210 G N -1.149 107.593 108.800 -0.097 0.000 2.450 210 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.220 210 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.220 210 G C 1.485 176.374 174.900 -0.018 0.000 1.130 210 G CA 1.164 46.218 45.100 -0.077 0.000 0.760 210 G HN 0.487 nan 8.290 nan 0.000 0.557 211 F N -0.008 119.819 119.950 -0.205 0.000 2.208 211 F HA 0.339 4.866 4.527 -0.000 0.000 0.282 211 F C 2.268 177.810 175.800 -0.431 0.000 1.071 211 F CA 0.407 58.193 58.000 -0.358 0.000 1.228 211 F CB -0.163 38.581 39.000 -0.427 0.000 1.088 211 F HN 0.079 nan 8.300 nan 0.000 0.512 212 F N 0.482 120.242 119.950 -0.317 0.000 2.118 212 F HA 0.066 4.593 4.527 0.000 0.000 0.293 212 F C 2.554 178.204 175.800 -0.250 0.000 1.102 212 F CA 1.181 58.957 58.000 -0.374 0.000 1.247 212 F CB -1.145 37.736 39.000 -0.198 0.000 1.017 212 F HN 0.042 nan 8.300 nan 0.000 0.475 213 A N -0.641 122.220 122.820 0.068 0.000 2.067 213 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 213 A C 1.930 179.486 177.584 -0.047 0.000 1.156 213 A CA 1.417 53.460 52.037 0.010 0.000 0.683 213 A CB -0.607 18.483 19.000 0.151 0.000 0.808 213 A HN 0.207 nan 8.150 nan 0.000 0.455 214 V N -1.437 118.435 119.914 -0.070 0.000 2.870 214 V HA 0.051 4.171 4.120 -0.000 0.000 0.232 214 V C 2.112 178.207 176.094 0.002 0.000 1.161 214 V CA 0.791 63.096 62.300 0.010 0.000 1.204 214 V CB -0.779 31.077 31.823 0.056 0.000 1.003 214 V HN 0.428 nan 8.190 nan 0.000 0.499 215 L N 0.673 121.792 121.223 -0.173 0.000 1.961 215 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 215 L C 2.321 178.955 176.870 -0.394 0.000 1.072 215 L CA 2.270 56.838 54.840 -0.454 0.000 0.749 215 L CB -0.567 41.069 42.059 -0.705 0.000 0.889 215 L HN 0.142 nan 8.230 nan 0.000 0.432 216 V N 0.167 119.764 119.914 -0.528 0.000 2.358 216 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 216 V C 2.792 178.773 176.094 -0.189 0.000 1.047 216 V CA 1.519 63.569 62.300 -0.416 0.000 1.035 216 V CB -1.516 29.984 31.823 -0.539 0.000 0.658 216 V HN 0.633 nan 8.190 nan 0.000 0.452 217 A N 0.480 123.209 122.820 -0.152 0.000 1.859 217 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 217 A C 2.492 180.042 177.584 -0.058 0.000 1.198 217 A CA 2.789 54.770 52.037 -0.092 0.000 0.629 217 A CB -1.158 17.777 19.000 -0.109 0.000 0.830 217 A HN 0.619 nan 8.150 nan 0.000 0.446 218 A N -0.514 122.286 122.820 -0.034 0.000 1.903 218 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 218 A C 2.233 179.840 177.584 0.038 0.000 1.191 218 A CA 1.864 53.912 52.037 0.019 0.000 0.638 218 A CB -0.719 18.351 19.000 0.117 0.000 0.823 218 A HN 0.524 nan 8.150 nan 0.000 0.451 219 L N -1.282 119.951 121.223 0.016 0.000 2.072 219 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 219 L C 3.020 179.989 176.870 0.165 0.000 1.079 219 L CA 0.936 55.834 54.840 0.097 0.000 0.752 219 L CB -0.560 41.486 42.059 -0.021 0.000 0.906 219 L HN 0.423 nan 8.230 nan 0.000 0.436 220 A N -0.068 122.789 122.820 0.062 0.000 2.067 220 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 220 A C 1.956 179.585 177.584 0.075 0.000 1.158 220 A CA 0.976 53.054 52.037 0.068 0.000 0.661 220 A CB -0.499 18.521 19.000 0.033 0.000 0.801 220 A HN 0.402 nan 8.150 nan 0.000 0.452 221 L N -0.325 120.916 121.223 0.029 0.000 2.653 221 L HA 0.089 4.429 4.340 -0.000 0.000 0.232 221 L C -0.456 176.307 176.870 -0.177 0.000 1.169 221 L CA -0.142 54.679 54.840 -0.032 0.000 0.951 221 L CB -0.410 41.603 42.059 -0.077 0.000 1.181 221 L HN 0.237 nan 8.230 nan 0.000 0.460 222 D N 0.021 120.379 120.400 -0.070 0.000 2.772 222 D HA -0.150 4.490 4.640 -0.000 0.000 0.233 222 D C 0.610 176.873 176.300 -0.062 0.000 1.143 222 D CA 1.108 55.004 54.000 -0.172 0.000 0.700 222 D CB -1.188 39.422 40.800 -0.318 0.000 1.076 222 D HN 0.521 nan 8.370 nan 0.000 0.430 223 G N -1.551 107.315 108.800 0.110 0.000 2.990 223 G HA2 0.717 4.677 3.960 -0.000 0.000 0.208 223 G HA3 0.717 4.677 3.960 -0.000 0.000 0.208 223 G C -0.470 174.588 174.900 0.264 0.000 1.334 223 G CA -0.345 44.839 45.100 0.140 0.000 1.024 223 G HN 0.084 nan 8.290 nan 0.000 0.574 224 T N -0.199 114.440 114.554 0.142 0.000 2.812 224 T HA 0.369 4.719 4.350 -0.000 0.000 0.282 224 T C -1.596 173.155 174.700 0.084 0.000 0.990 224 T CA -0.107 62.047 62.100 0.090 0.000 0.960 224 T CB 1.441 70.322 68.868 0.023 0.000 0.948 224 T HN 0.373 nan 8.240 nan 0.000 0.438 225 Y N 3.676 123.952 120.300 -0.041 0.000 2.383 225 Y HA 0.511 5.061 4.550 0.000 0.000 0.344 225 Y C -0.493 175.386 175.900 -0.035 0.000 0.986 225 Y CA -0.755 57.319 58.100 -0.043 0.000 1.175 225 Y CB 0.590 39.013 38.460 -0.061 0.000 1.152 225 Y HN 0.380 nan 8.280 nan 0.000 0.511 226 V N 7.978 127.612 119.914 -0.465 0.000 2.368 226 V HA 0.137 4.257 4.120 -0.000 0.000 0.266 226 V C -0.220 175.525 176.094 -0.581 0.000 1.045 226 V CA -0.846 61.234 62.300 -0.365 0.000 0.899 226 V CB 0.678 32.368 31.823 -0.222 0.000 1.006 226 V HN 0.597 nan 8.190 nan 0.000 0.470 227 V N 6.444 126.187 119.914 -0.286 0.000 2.529 227 V HA 0.112 4.232 4.120 -0.000 0.000 0.292 227 V C 0.245 176.289 176.094 -0.083 0.000 1.028 227 V CA 0.015 62.253 62.300 -0.102 0.000 1.074 227 V CB 1.201 33.078 31.823 0.090 0.000 0.958 227 V HN 0.608 nan 8.190 nan 0.000 0.481 228 V N 4.698 124.582 119.914 -0.049 0.000 2.304 228 V HA 0.259 4.379 4.120 -0.000 0.000 0.278 228 V C 0.878 176.997 176.094 0.041 0.000 1.018 228 V CA -0.351 61.943 62.300 -0.010 0.000 0.814 228 V CB 0.959 32.775 31.823 -0.013 0.000 1.021 228 V HN 0.932 nan 8.190 nan 0.000 0.440 229 E N 2.484 122.709 120.200 0.040 0.000 2.150 229 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 229 E C 0.789 177.429 176.600 0.067 0.000 0.985 229 E CA 1.030 57.463 56.400 0.056 0.000 0.814 229 E CB 0.410 30.134 29.700 0.041 0.000 0.752 229 E HN 0.732 nan 8.360 nan 0.000 0.466 230 E N -0.506 119.729 120.200 0.058 0.000 2.307 230 E HA 0.080 4.430 4.350 -0.000 0.000 0.280 230 E C -1.552 175.088 176.600 0.068 0.000 0.900 230 E CA -0.518 55.925 56.400 0.072 0.000 0.790 230 E CB 0.780 30.503 29.700 0.038 0.000 1.261 230 E HN -0.040 nan 8.360 nan 0.000 0.405 231 F N 4.065 123.997 119.950 -0.030 0.000 2.456 231 F HA 0.421 4.948 4.527 0.000 0.000 0.358 231 F C -0.594 175.179 175.800 -0.045 0.000 1.095 231 F CA 0.172 58.121 58.000 -0.085 0.000 1.216 231 F CB 0.491 39.392 39.000 -0.166 0.000 1.125 231 F HN 0.385 nan 8.300 nan 0.000 0.549 232 R N 7.286 127.131 120.500 -1.091 0.000 2.508 232 R HA 0.233 4.573 4.340 -0.000 0.000 0.283 232 R C -2.097 173.622 176.300 -0.969 0.000 1.120 232 R CA -1.448 54.110 56.100 -0.904 0.000 0.958 232 R CB 1.729 31.798 30.300 -0.386 0.000 1.215 232 R HN 0.348 nan 8.270 nan 0.000 0.427 233 P HA -0.195 nan 4.420 nan 0.000 0.211 233 P C 1.194 178.380 177.300 -0.189 0.000 1.179 233 P CA 1.179 64.041 63.100 -0.397 0.000 0.910 233 P CB 0.222 31.867 31.700 -0.092 0.000 0.785 234 V N 1.050 120.878 119.914 -0.143 0.000 2.282 234 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 234 V C 2.531 178.564 176.094 -0.102 0.000 1.057 234 V CA 2.527 64.773 62.300 -0.090 0.000 1.032 234 V CB -1.774 30.009 31.823 -0.067 0.000 0.645 234 V HN 0.161 nan 8.190 nan 0.000 0.447 235 D N 0.132 120.444 120.400 -0.146 0.000 2.133 235 D HA -0.189 4.451 4.640 -0.000 0.000 0.195 235 D C 2.047 178.283 176.300 -0.105 0.000 0.997 235 D CA 1.574 55.500 54.000 -0.124 0.000 0.840 235 D CB -0.167 40.544 40.800 -0.149 0.000 0.947 235 D HN 0.419 nan 8.370 nan 0.000 0.452 236 A N -0.181 122.559 122.820 -0.133 0.000 1.969 236 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 236 A C 2.327 179.899 177.584 -0.021 0.000 1.169 236 A CA 0.728 52.728 52.037 -0.062 0.000 0.635 236 A CB -0.603 18.391 19.000 -0.010 0.000 0.810 236 A HN 0.376 nan 8.150 nan 0.000 0.445 237 L N -1.202 120.007 121.223 -0.024 0.000 2.156 237 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 237 L C 3.372 180.234 176.870 -0.013 0.000 1.095 237 L CA 1.233 56.070 54.840 -0.004 0.000 0.770 237 L CB -0.768 41.291 42.059 -0.000 0.000 0.914 237 L HN 0.631 nan 8.230 nan 0.000 0.439 238 Q N 0.508 120.292 119.800 -0.027 0.000 2.124 238 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 238 Q C 2.079 178.065 176.000 -0.023 0.000 0.977 238 Q CA 1.683 57.471 55.803 -0.025 0.000 0.850 238 Q CB -0.904 27.814 28.738 -0.033 0.000 0.901 238 Q HN 0.549 nan 8.270 nan 0.000 0.429 239 L N 0.100 121.306 121.223 -0.028 0.000 2.012 239 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 239 L C 2.605 179.464 176.870 -0.018 0.000 1.073 239 L CA 1.376 56.199 54.840 -0.028 0.000 0.748 239 L CB -0.838 41.198 42.059 -0.038 0.000 0.891 239 L HN 0.355 nan 8.230 nan 0.000 0.431 240 V N -0.039 119.870 119.914 -0.009 0.000 2.231 240 V HA -0.407 3.713 4.120 -0.000 0.000 0.250 240 V C 2.551 178.646 176.094 0.002 0.000 1.058 240 V CA 2.367 64.668 62.300 0.002 0.000 1.022 240 V CB -0.649 31.182 31.823 0.013 0.000 0.640 240 V HN 0.565 nan 8.190 nan 0.000 0.445 241 Q N -0.594 119.206 119.800 -0.000 0.000 1.993 241 Q HA -0.297 4.043 4.340 -0.000 0.000 0.202 241 Q C 2.455 178.454 176.000 -0.002 0.000 0.984 241 Q CA 2.309 58.112 55.803 0.000 0.000 0.837 241 Q CB -0.258 28.479 28.738 -0.002 0.000 0.902 241 Q HN 0.712 nan 8.270 nan 0.000 0.423 242 Q N -0.655 119.140 119.800 -0.008 0.000 2.124 242 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 242 Q C 1.329 177.324 176.000 -0.009 0.000 0.977 242 Q CA 1.192 56.990 55.803 -0.009 0.000 0.850 242 Q CB 0.260 28.989 28.738 -0.015 0.000 0.901 242 Q HN 0.310 nan 8.270 nan 0.000 0.429 243 E N -0.036 120.157 120.200 -0.011 0.000 2.452 243 E HA -0.008 4.342 4.350 -0.000 0.000 0.197 243 E C -0.242 176.357 176.600 -0.002 0.000 1.022 243 E CA 0.163 56.555 56.400 -0.013 0.000 0.890 243 E CB 0.568 30.252 29.700 -0.027 0.000 0.918 243 E HN 0.260 nan 8.360 nan 0.000 0.496 244 Q N -0.264 119.539 119.800 0.006 0.000 2.460 244 Q HA -0.150 4.190 4.340 -0.000 0.000 0.311 244 Q C -0.410 175.601 176.000 0.019 0.000 1.396 244 Q CA 0.295 56.109 55.803 0.018 0.000 0.838 244 Q CB -2.662 26.093 28.738 0.029 0.000 1.140 244 Q HN 0.034 nan 8.270 nan 0.000 0.415 245 V N 1.242 121.164 119.914 0.012 0.000 2.585 245 V HA 0.035 4.155 4.120 -0.000 0.000 0.296 245 V C 1.898 178.014 176.094 0.036 0.000 1.035 245 V CA 1.364 63.672 62.300 0.014 0.000 1.084 245 V CB 1.169 32.997 31.823 0.008 0.000 0.953 245 V HN 0.679 nan 8.190 nan 0.000 0.483 246 T N 0.019 114.603 114.554 0.049 0.000 3.034 246 T HA 0.155 4.505 4.350 -0.000 0.000 0.248 246 T C 0.661 175.458 174.700 0.160 0.000 1.040 246 T CA 0.483 62.639 62.100 0.094 0.000 1.107 246 T CB 0.297 69.225 68.868 0.100 0.000 0.932 246 T HN 0.757 nan 8.240 nan 0.000 0.474 247 S N 0.666 116.440 115.700 0.123 0.000 2.564 247 S HA 0.750 5.220 4.470 -0.000 0.000 0.274 247 S C -1.681 172.981 174.600 0.104 0.000 1.124 247 S CA -0.971 57.323 58.200 0.156 0.000 0.869 247 S CB 2.359 65.621 63.200 0.104 0.000 1.105 247 S HN 0.495 nan 8.310 nan 0.000 0.472 248 L N 2.001 123.300 121.223 0.126 0.000 2.505 248 L HA 0.814 5.154 4.340 -0.000 0.000 0.266 248 L C -2.287 174.702 176.870 0.197 0.000 0.954 248 L CA -0.541 54.381 54.840 0.136 0.000 0.852 248 L CB 1.749 43.874 42.059 0.110 0.000 1.282 248 L HN 0.815 nan 8.230 nan 0.000 0.403 249 F N 4.876 124.865 119.950 0.064 0.000 2.427 249 F HA 0.889 5.416 4.527 -0.000 0.000 0.348 249 F C -0.279 175.571 175.800 0.084 0.000 1.125 249 F CA -0.397 57.654 58.000 0.085 0.000 0.989 249 F CB 1.389 40.422 39.000 0.056 0.000 1.165 249 F HN 0.817 nan 8.300 nan 0.000 0.442 250 A N 3.034 126.190 122.820 0.560 0.000 2.469 250 A HA 0.738 5.058 4.320 -0.000 0.000 0.299 250 A C -0.396 177.358 177.584 0.283 0.000 1.098 250 A CA -0.393 51.851 52.037 0.345 0.000 0.737 250 A CB 1.067 20.195 19.000 0.215 0.000 1.312 250 A HN 0.735 nan 8.150 nan 0.000 0.414 251 T N -1.122 113.479 114.554 0.079 0.000 2.849 251 T HA 0.451 4.801 4.350 -0.000 0.000 0.284 251 T C -1.991 172.654 174.700 -0.092 0.000 1.004 251 T CA -1.248 60.804 62.100 -0.080 0.000 1.021 251 T CB 0.707 69.376 68.868 -0.331 0.000 1.013 251 T HN 0.233 nan 8.240 nan 0.000 0.527 252 P HA -0.072 nan 4.420 nan 0.000 0.217 252 P C 1.529 178.754 177.300 -0.124 0.000 1.148 252 P CA 1.137 64.166 63.100 -0.117 0.000 0.828 252 P CB -0.161 31.500 31.700 -0.066 0.000 0.783 253 T N -2.211 112.245 114.554 -0.162 0.000 2.812 253 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 253 T C 1.468 176.114 174.700 -0.090 0.000 1.042 253 T CA 1.229 63.249 62.100 -0.133 0.000 1.140 253 T CB -0.996 67.770 68.868 -0.170 0.000 0.870 253 T HN 0.351 nan 8.240 nan 0.000 0.445 254 H N 0.741 119.675 119.070 -0.226 0.000 2.319 254 H HA 0.015 4.571 4.556 -0.000 0.000 0.299 254 H C 2.244 177.512 175.328 -0.100 0.000 1.092 254 H CA 1.014 56.842 56.048 -0.365 0.000 1.302 254 H CB -0.218 29.200 29.762 -0.573 0.000 1.373 254 H HN 0.181 nan 8.280 nan 0.000 0.497 255 L N 0.195 121.429 121.223 0.018 0.000 2.083 255 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 255 L C 2.194 179.057 176.870 -0.012 0.000 1.083 255 L CA 1.208 56.032 54.840 -0.027 0.000 0.752 255 L CB -0.277 41.674 42.059 -0.181 0.000 0.899 255 L HN 0.311 nan 8.230 nan 0.000 0.433 256 D N 0.000 120.392 120.400 -0.013 0.000 2.117 256 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 256 D C 2.153 178.502 176.300 0.081 0.000 0.987 256 D CA 1.449 55.461 54.000 0.019 0.000 0.829 256 D CB 0.149 40.956 40.800 0.013 0.000 0.961 256 D HN 0.266 nan 8.370 nan 0.000 0.460 257 A N -0.191 122.712 122.820 0.138 0.000 1.873 257 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 257 A C 2.373 180.067 177.584 0.184 0.000 1.186 257 A CA 1.084 53.242 52.037 0.202 0.000 0.616 257 A CB -0.811 18.418 19.000 0.381 0.000 0.823 257 A HN 0.326 nan 8.150 nan 0.000 0.442 258 L N -0.605 120.740 121.223 0.204 0.000 2.027 258 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 258 L C 3.085 180.013 176.870 0.096 0.000 1.074 258 L CA 1.113 56.047 54.840 0.156 0.000 0.745 258 L CB -0.607 41.549 42.059 0.161 0.000 0.898 258 L HN 0.399 nan 8.230 nan 0.000 0.433 259 A N 0.151 123.021 122.820 0.083 0.000 1.908 259 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 259 A C 2.531 180.158 177.584 0.071 0.000 1.181 259 A CA 1.975 54.064 52.037 0.086 0.000 0.627 259 A CB -0.818 18.233 19.000 0.084 0.000 0.818 259 A HN 0.411 nan 8.150 nan 0.000 0.445 260 A N -0.374 122.501 122.820 0.093 0.000 1.930 260 A HA 0.204 4.524 4.320 -0.000 0.000 0.217 260 A C 2.492 180.172 177.584 0.159 0.000 1.175 260 A CA 2.009 54.122 52.037 0.128 0.000 0.627 260 A CB -0.936 18.150 19.000 0.142 0.000 0.815 260 A HN 1.018 nan 8.150 nan 0.000 0.443 261 A N -0.009 122.872 122.820 0.101 0.000 1.855 261 A HA 0.191 4.511 4.320 -0.000 0.000 0.215 261 A C 2.533 180.129 177.584 0.020 0.000 1.191 261 A CA 2.032 54.114 52.037 0.075 0.000 0.613 261 A CB -1.179 17.845 19.000 0.040 0.000 0.829 261 A HN 1.118 nan 8.150 nan 0.000 0.442 262 A N -0.102 122.717 122.820 -0.003 0.000 1.948 262 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 262 A C 2.433 179.928 177.584 -0.150 0.000 1.177 262 A CA 2.395 54.410 52.037 -0.037 0.000 0.636 262 A CB -0.952 18.053 19.000 0.009 0.000 0.815 262 A HN 1.148 nan 8.150 nan 0.000 0.449 263 A N -1.404 121.225 122.820 -0.318 0.000 2.014 263 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 263 A C 1.508 178.673 177.584 -0.699 0.000 1.163 263 A CA 1.463 53.066 52.037 -0.723 0.000 0.652 263 A CB -0.554 17.741 19.000 -1.175 0.000 0.808 263 A HN 0.705 nan 8.150 nan 0.000 0.449 264 H N -1.794 117.195 119.070 -0.136 0.000 2.486 264 H HA 0.592 5.148 4.556 -0.000 0.000 0.284 264 H C 1.403 176.696 175.328 -0.058 0.000 1.103 264 H CA 0.334 56.331 56.048 -0.085 0.000 1.089 264 H CB 0.463 30.186 29.762 -0.066 0.000 1.603 264 H HN 0.456 nan 8.280 nan 0.000 0.557 265 A N 0.225 123.037 122.820 -0.013 0.000 1.963 265 A HA 0.597 4.917 4.320 -0.000 0.000 0.211 265 A C 1.473 179.039 177.584 -0.029 0.000 1.380 265 A CA 0.591 52.621 52.037 -0.011 0.000 0.690 265 A CB -0.396 18.596 19.000 -0.013 0.000 1.060 265 A HN 0.546 nan 8.150 nan 0.000 0.498 266 G N -0.944 107.823 108.800 -0.055 0.000 2.660 266 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.215 266 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.215 266 G C 0.840 175.727 174.900 -0.021 0.000 1.345 266 G CA 0.659 45.732 45.100 -0.045 0.000 0.877 266 G HN 1.622 nan 8.290 nan 0.000 0.549 267 S N -0.521 115.172 115.700 -0.012 0.000 2.484 267 S HA -0.128 4.342 4.470 -0.000 0.000 0.250 267 S C 2.423 177.021 174.600 -0.004 0.000 0.995 267 S CA 2.245 60.442 58.200 -0.004 0.000 0.967 267 S CB -0.384 62.816 63.200 -0.001 0.000 0.752 267 S HN 1.884 nan 8.310 nan 0.000 0.517 268 S N 1.242 116.937 115.700 -0.007 0.000 2.393 268 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 268 S C 0.601 175.198 174.600 -0.005 0.000 1.061 268 S CA 1.362 59.558 58.200 -0.006 0.000 1.129 268 S CB -0.635 62.560 63.200 -0.007 0.000 1.011 268 S HN 0.628 nan 8.310 nan 0.000 0.436 269 L N 1.310 122.529 121.223 -0.006 0.000 2.276 269 L HA 0.469 4.809 4.340 -0.000 0.000 0.286 269 L C 0.309 177.180 176.870 0.000 0.000 1.061 269 L CA -0.567 54.271 54.840 -0.003 0.000 0.807 269 L CB 1.115 43.172 42.059 -0.004 0.000 1.177 269 L HN 0.115 nan 8.230 nan 0.000 0.429 270 K N 5.096 125.497 120.400 0.001 0.000 2.273 270 K HA 0.468 4.788 4.320 -0.000 0.000 0.287 270 K C 0.068 176.672 176.600 0.007 0.000 1.089 270 K CA -0.135 56.154 56.287 0.004 0.000 0.909 270 K CB -0.094 32.408 32.500 0.004 0.000 1.123 270 K HN 0.707 nan 8.250 nan 0.000 0.473 271 L N 1.540 122.769 121.223 0.010 0.000 2.791 271 L HA 0.120 4.460 4.340 -0.000 0.000 0.239 271 L C 0.559 177.437 176.870 0.013 0.000 1.203 271 L CA -0.371 54.477 54.840 0.013 0.000 1.002 271 L CB 0.449 42.519 42.059 0.018 0.000 1.295 271 L HN 0.673 nan 8.230 nan 0.000 0.504 272 D N 0.254 120.660 120.400 0.011 0.000 2.178 272 D HA -0.148 4.492 4.640 -0.000 0.000 0.202 272 D C 2.226 178.532 176.300 0.009 0.000 0.974 272 D CA 1.597 55.602 54.000 0.008 0.000 0.841 272 D CB 0.226 41.031 40.800 0.007 0.000 0.953 272 D HN 0.369 nan 8.370 nan 0.000 0.478 273 S N 0.190 115.899 115.700 0.015 0.000 2.507 273 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 273 S C 0.866 175.480 174.600 0.023 0.000 0.988 273 S CA -0.176 58.038 58.200 0.023 0.000 0.944 273 S CB -0.257 62.959 63.200 0.028 0.000 0.762 273 S HN 0.119 nan 8.310 nan 0.000 0.526 274 L N 2.481 123.712 121.223 0.014 0.000 2.261 274 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 274 L C 0.848 177.699 176.870 -0.032 0.000 1.059 274 L CA -0.266 54.582 54.840 0.014 0.000 0.816 274 L CB 0.733 42.807 42.059 0.026 0.000 1.191 274 L HN -0.062 nan 8.230 nan 0.000 0.431 275 R N 3.042 123.488 120.500 -0.089 0.000 2.307 275 R HA 0.304 4.644 4.340 -0.000 0.000 0.200 275 R C -0.388 175.551 176.300 -0.601 0.000 0.893 275 R CA 0.216 56.109 56.100 -0.345 0.000 1.042 275 R CB 0.103 30.132 30.300 -0.451 0.000 1.059 275 R HN 0.631 nan 8.270 nan 0.000 0.530 276 H N 0.010 119.097 119.070 0.028 0.000 2.823 276 H HA 0.342 4.898 4.556 0.000 0.000 0.332 276 H C -0.936 174.404 175.328 0.019 0.000 0.980 276 H CA -0.612 55.443 56.048 0.013 0.000 1.286 276 H CB 2.390 32.148 29.762 -0.007 0.000 1.541 276 H HN -0.277 nan 8.280 nan 0.000 0.521 277 V N 4.398 124.382 119.914 0.116 0.000 2.313 277 V HA 0.202 4.322 4.120 -0.000 0.000 0.278 277 V C 0.200 176.357 176.094 0.105 0.000 1.017 277 V CA -0.307 62.074 62.300 0.136 0.000 0.823 277 V CB 1.348 33.266 31.823 0.159 0.000 1.010 277 V HN 0.758 nan 8.190 nan 0.000 0.443 278 T N 5.819 120.335 114.554 -0.062 0.000 2.925 278 T HA 0.894 5.244 4.350 -0.000 0.000 0.285 278 T C -0.627 173.809 174.700 -0.441 0.000 1.021 278 T CA -0.344 61.449 62.100 -0.512 0.000 1.042 278 T CB 1.519 69.819 68.868 -0.947 0.000 1.037 278 T HN 0.557 nan 8.240 nan 0.000 0.481 279 F N -1.724 117.902 119.950 -0.540 0.000 2.744 279 F HA 0.713 5.240 4.527 0.000 0.000 0.311 279 F C -1.127 174.700 175.800 0.045 0.000 1.144 279 F CA -1.831 56.087 58.000 -0.136 0.000 0.938 279 F CB 0.735 39.721 39.000 -0.024 0.000 1.292 279 F HN 0.638 nan 8.300 nan 0.000 0.444 280 A N 0.832 123.910 122.820 0.430 0.000 2.478 280 A HA 0.617 4.937 4.320 -0.000 0.000 0.327 280 A C 0.563 178.344 177.584 0.329 0.000 1.431 280 A CA 0.084 52.306 52.037 0.308 0.000 1.014 280 A CB -0.489 18.664 19.000 0.254 0.000 1.143 280 A HN 1.477 nan 8.150 nan 0.000 0.532 281 G N 1.090 110.121 108.800 0.385 0.000 3.502 281 G HA2 0.354 4.314 3.960 -0.000 0.000 0.267 281 G HA3 0.354 4.314 3.960 -0.000 0.000 0.267 281 G C 1.096 176.126 174.900 0.217 0.000 1.090 281 G CA 0.785 46.101 45.100 0.359 0.000 0.795 281 G HN 0.946 nan 8.290 nan 0.000 0.535 282 A N 1.080 124.019 122.820 0.198 0.000 1.903 282 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 282 A C 2.524 180.170 177.584 0.102 0.000 1.191 282 A CA 2.658 54.783 52.037 0.147 0.000 0.638 282 A CB -0.825 18.291 19.000 0.193 0.000 0.823 282 A HN 0.649 nan 8.150 nan 0.000 0.451 283 T N -3.276 111.339 114.554 0.102 0.000 3.129 283 T HA 0.317 4.667 4.350 -0.000 0.000 0.251 283 T C 0.640 175.371 174.700 0.052 0.000 1.117 283 T CA 0.389 62.530 62.100 0.069 0.000 1.034 283 T CB -0.494 68.412 68.868 0.063 0.000 0.968 283 T HN 0.408 nan 8.240 nan 0.000 0.526 284 M N 3.054 122.690 119.600 0.060 0.000 2.227 284 M HA 0.316 4.796 4.480 -0.000 0.000 0.349 284 M C -2.514 173.796 176.300 0.017 0.000 1.443 284 M CA -1.926 53.386 55.300 0.020 0.000 1.110 284 M CB 0.621 33.217 32.600 -0.007 0.000 1.773 284 M HN -0.078 nan 8.290 nan 0.000 0.463 285 P HA 0.061 nan 4.420 nan 0.000 0.270 285 P C -0.285 177.022 177.300 0.012 0.000 1.223 285 P CA -0.198 62.911 63.100 0.016 0.000 0.785 285 P CB 0.538 32.248 31.700 0.016 0.000 0.923 286 D N 0.856 121.271 120.400 0.025 0.000 2.144 286 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 286 D C 1.917 178.229 176.300 0.020 0.000 0.984 286 D CA 1.700 55.718 54.000 0.029 0.000 0.834 286 D CB -0.465 40.357 40.800 0.036 0.000 0.955 286 D HN 0.343 nan 8.370 nan 0.000 0.465 287 A N 0.609 123.441 122.820 0.020 0.000 1.873 287 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 287 A C 2.575 180.158 177.584 -0.002 0.000 1.193 287 A CA 1.700 53.747 52.037 0.018 0.000 0.629 287 A CB -0.892 18.124 19.000 0.027 0.000 0.826 287 A HN 0.161 nan 8.150 nan 0.000 0.447 288 V N -0.185 119.717 119.914 -0.020 0.000 2.295 288 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 288 V C 2.509 178.537 176.094 -0.109 0.000 1.049 288 V CA 1.938 64.206 62.300 -0.053 0.000 1.024 288 V CB -0.905 30.874 31.823 -0.073 0.000 0.648 288 V HN 0.623 nan 8.190 nan 0.000 0.447 289 L N 0.659 121.812 121.223 -0.117 0.000 2.013 289 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 289 L C 2.416 179.194 176.870 -0.153 0.000 1.073 289 L CA 2.580 57.313 54.840 -0.179 0.000 0.753 289 L CB -0.873 41.147 42.059 -0.066 0.000 0.890 289 L HN 0.498 nan 8.230 nan 0.000 0.432 290 E N -0.991 119.191 120.200 -0.031 0.000 2.058 290 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 290 E C 2.049 178.617 176.600 -0.054 0.000 0.997 290 E CA 2.118 58.529 56.400 0.018 0.000 0.801 290 E CB -0.241 29.475 29.700 0.026 0.000 0.746 290 E HN 0.768 nan 8.360 nan 0.000 0.450 291 T N -1.642 112.874 114.554 -0.064 0.000 2.788 291 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 291 T C 1.964 176.610 174.700 -0.089 0.000 1.044 291 T CA 1.327 63.385 62.100 -0.071 0.000 1.139 291 T CB -0.643 68.273 68.868 0.080 0.000 0.867 291 T HN 0.050 nan 8.240 nan 0.000 0.454 292 V N 1.949 121.785 119.914 -0.130 0.000 2.282 292 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 292 V C 2.868 178.880 176.094 -0.136 0.000 1.057 292 V CA 2.094 64.291 62.300 -0.171 0.000 1.032 292 V CB -0.863 30.768 31.823 -0.321 0.000 0.645 292 V HN 0.630 nan 8.190 nan 0.000 0.447 293 H N -0.611 118.433 119.070 -0.043 0.000 2.357 293 H HA -0.086 4.470 4.556 -0.000 0.000 0.301 293 H C 2.510 177.784 175.328 -0.090 0.000 1.082 293 H CA 1.459 57.485 56.048 -0.038 0.000 1.342 293 H CB -0.221 29.524 29.762 -0.029 0.000 1.389 293 H HN 0.415 nan 8.280 nan 0.000 0.511 294 Q N 0.409 120.163 119.800 -0.077 0.000 2.084 294 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 294 Q C 1.429 177.292 176.000 -0.228 0.000 0.978 294 Q CA 1.552 57.179 55.803 -0.294 0.000 0.844 294 Q CB -0.101 28.223 28.738 -0.690 0.000 0.898 294 Q HN 0.739 nan 8.270 nan 0.000 0.426 295 H N -2.134 116.942 119.070 0.011 0.000 3.046 295 H HA 0.327 4.883 4.556 -0.000 0.000 0.262 295 H C -0.025 175.301 175.328 -0.004 0.000 1.044 295 H CA -0.449 55.592 56.048 -0.011 0.000 1.209 295 H CB 1.116 30.857 29.762 -0.034 0.000 1.507 295 H HN -0.021 nan 8.280 nan 0.000 0.507 296 L N 2.272 123.555 121.223 0.100 0.000 2.330 296 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 296 L C -2.218 174.687 176.870 0.058 0.000 1.013 296 L CA -2.126 52.755 54.840 0.068 0.000 0.816 296 L CB 2.051 44.139 42.059 0.050 0.000 1.287 296 L HN -0.009 nan 8.230 nan 0.000 0.435 297 P HA 0.466 nan 4.420 nan 0.000 0.310 297 P C -0.352 176.966 177.300 0.030 0.000 1.309 297 P CA -0.160 62.961 63.100 0.036 0.000 0.769 297 P CB 0.999 32.712 31.700 0.023 0.000 1.327 298 G N -0.943 107.860 108.800 0.004 0.000 2.787 298 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.685 298 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.685 298 G C -0.557 174.338 174.900 -0.008 0.000 1.437 298 G CA -0.536 44.541 45.100 -0.038 0.000 0.872 298 G HN 0.771 nan 8.290 nan 0.000 0.566 299 E N 0.579 120.747 120.200 -0.054 0.000 2.344 299 E HA 0.225 4.575 4.350 -0.000 0.000 0.270 299 E C 0.208 176.847 176.600 0.065 0.000 1.021 299 E CA -0.206 56.201 56.400 0.012 0.000 0.887 299 E CB 0.270 29.967 29.700 -0.005 0.000 0.997 299 E HN 0.338 nan 8.360 nan 0.000 0.429 300 K N 3.418 123.888 120.400 0.117 0.000 2.213 300 K HA 0.357 4.677 4.320 -0.000 0.000 0.270 300 K C -0.785 175.825 176.600 0.018 0.000 1.002 300 K CA -0.714 55.659 56.287 0.144 0.000 0.868 300 K CB 1.808 34.470 32.500 0.271 0.000 1.093 300 K HN 0.208 nan 8.250 nan 0.000 0.454 301 V N 2.699 122.501 119.914 -0.186 0.000 2.540 301 V HA 0.203 4.323 4.120 -0.000 0.000 0.302 301 V C -0.340 175.316 176.094 -0.729 0.000 1.035 301 V CA -1.009 61.127 62.300 -0.273 0.000 0.873 301 V CB 1.864 33.624 31.823 -0.104 0.000 0.992 301 V HN 0.686 nan 8.190 nan 0.000 0.428 302 N N 2.785 121.156 118.700 -0.547 0.000 2.430 302 N HA 0.709 5.449 4.740 -0.000 0.000 0.292 302 N C -0.173 175.233 175.510 -0.174 0.000 1.051 302 N CA 0.043 52.737 53.050 -0.593 0.000 0.917 302 N CB 1.940 40.289 38.487 -0.229 0.000 1.164 302 N HN 0.893 nan 8.380 nan 0.000 0.484 303 G N 1.357 110.104 108.800 -0.088 0.000 2.571 303 G HA2 0.445 4.405 3.960 -0.000 0.000 0.304 303 G HA3 0.445 4.405 3.960 -0.000 0.000 0.304 303 G C -2.073 172.948 174.900 0.202 0.000 1.314 303 G CA -0.424 44.749 45.100 0.122 0.000 0.975 303 G HN 0.505 nan 8.290 nan 0.000 0.485 304 Y N 0.908 121.255 120.300 0.080 0.000 2.376 304 Y HA 0.709 5.259 4.550 -0.000 0.000 0.340 304 Y C 0.212 176.130 175.900 0.030 0.000 0.965 304 Y CA -0.241 57.897 58.100 0.063 0.000 1.078 304 Y CB 2.019 40.505 38.460 0.044 0.000 1.193 304 Y HN 0.876 nan 8.280 nan 0.000 0.452 305 G N 2.112 110.548 108.800 -0.607 0.000 2.645 305 G HA2 0.589 4.549 3.960 -0.000 0.000 0.292 305 G HA3 0.589 4.549 3.960 -0.000 0.000 0.292 305 G C -1.507 173.083 174.900 -0.517 0.000 1.415 305 G CA -0.571 44.243 45.100 -0.477 0.000 0.785 305 G HN 0.836 nan 8.290 nan 0.000 0.483 306 T N -3.785 110.564 114.554 -0.341 0.000 2.894 306 T HA 0.514 4.864 4.350 -0.000 0.000 0.309 306 T C 0.943 175.460 174.700 -0.305 0.000 1.208 306 T CA 0.228 62.165 62.100 -0.272 0.000 1.016 306 T CB 1.420 70.181 68.868 -0.177 0.000 1.192 306 T HN 0.364 nan 8.240 nan 0.000 0.491 307 T N 1.270 115.644 114.554 -0.300 0.000 2.699 307 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 307 T C 1.590 176.032 174.700 -0.430 0.000 1.036 307 T CA 2.247 64.140 62.100 -0.344 0.000 1.147 307 T CB -0.397 68.316 68.868 -0.258 0.000 0.862 307 T HN 0.784 nan 8.240 nan 0.000 0.446 308 E N 0.935 120.758 120.200 -0.628 0.000 2.106 308 E HA 0.108 4.458 4.350 -0.000 0.000 0.192 308 E C 1.879 178.110 176.600 -0.614 0.000 0.984 308 E CA 1.152 56.954 56.400 -0.997 0.000 0.806 308 E CB -0.092 28.507 29.700 -1.834 0.000 0.750 308 E HN 0.495 nan 8.360 nan 0.000 0.458 309 A N -1.216 121.292 122.820 -0.521 0.000 2.545 309 A HA 0.476 4.796 4.320 -0.000 0.000 0.263 309 A C 0.780 178.193 177.584 -0.285 0.000 1.202 309 A CA 0.216 52.068 52.037 -0.309 0.000 0.959 309 A CB -0.067 18.834 19.000 -0.165 0.000 1.124 309 A HN 0.134 nan 8.150 nan 0.000 0.543 310 M N -0.638 118.760 119.600 -0.337 0.000 7.319 310 M HA -0.302 4.178 4.480 -0.000 0.000 0.313 310 M C -0.015 176.044 176.300 -0.402 0.000 0.480 310 M CA 2.082 57.154 55.300 -0.381 0.000 1.311 310 M CB -1.034 31.309 32.600 -0.429 0.000 0.421 310 M HN 0.586 nan 8.290 nan 0.000 0.747 311 N N 0.019 118.379 118.700 -0.567 0.000 2.455 311 N HA 0.556 5.296 4.740 -0.000 0.000 0.280 311 N C -0.472 174.935 175.510 -0.172 0.000 1.055 311 N CA 0.695 53.431 53.050 -0.524 0.000 0.961 311 N CB 1.261 39.093 38.487 -1.092 0.000 1.121 311 N HN 0.466 nan 8.380 nan 0.000 0.476 312 S N 1.771 117.482 115.700 0.018 0.000 2.628 312 S HA 0.409 4.879 4.470 -0.000 0.000 0.246 312 S C -0.478 174.263 174.600 0.234 0.000 1.062 312 S CA -0.229 58.074 58.200 0.171 0.000 1.028 312 S CB 0.319 63.689 63.200 0.283 0.000 0.985 312 S HN 0.484 nan 8.310 nan 0.000 0.551 313 L N 1.113 122.505 121.223 0.281 0.000 2.540 313 L HA 0.634 4.974 4.340 -0.000 0.000 0.256 313 L C -1.321 175.767 176.870 0.365 0.000 1.001 313 L CA -1.196 53.811 54.840 0.278 0.000 0.843 313 L CB 2.089 44.238 42.059 0.150 0.000 1.436 313 L HN 0.302 nan 8.230 nan 0.000 0.410 314 Y N -0.070 120.281 120.300 0.085 0.000 2.725 314 Y HA 0.845 5.395 4.550 0.000 0.000 0.333 314 Y C -1.852 174.070 175.900 0.037 0.000 1.242 314 Y CA -1.718 56.418 58.100 0.061 0.000 1.059 314 Y CB 1.747 40.256 38.460 0.081 0.000 1.306 314 Y HN 0.422 nan 8.280 nan 0.000 0.454 315 M N 3.106 122.579 119.600 -0.211 0.000 2.234 315 M HA 0.337 4.817 4.480 -0.000 0.000 0.267 315 M C -1.341 174.863 176.300 -0.161 0.000 1.022 315 M CA -0.590 54.530 55.300 -0.300 0.000 0.993 315 M CB 2.447 34.966 32.600 -0.135 0.000 1.836 315 M HN 0.882 nan 8.290 nan 0.000 0.479 316 R N 2.836 123.234 120.500 -0.170 0.000 2.489 316 R HA 0.181 4.521 4.340 -0.000 0.000 0.287 316 R C 0.001 176.297 176.300 -0.007 0.000 1.053 316 R CA -0.184 55.898 56.100 -0.029 0.000 1.036 316 R CB 0.367 30.668 30.300 0.002 0.000 0.966 316 R HN 0.533 nan 8.270 nan 0.000 0.432 317 Q N -0.183 119.651 119.800 0.058 0.000 2.460 317 Q HA -0.110 4.230 4.340 -0.000 0.000 0.311 317 Q C -2.182 173.878 176.000 0.099 0.000 1.396 317 Q CA 0.464 56.326 55.803 0.097 0.000 0.838 317 Q CB -1.687 27.054 28.738 0.005 0.000 1.140 317 Q HN 0.604 nan 8.270 nan 0.000 0.415 318 P HA -0.001 nan 4.420 nan 0.000 0.268 318 P C 0.801 178.232 177.300 0.218 0.000 1.204 318 P CA 0.098 63.296 63.100 0.163 0.000 0.768 318 P CB 0.850 32.664 31.700 0.189 0.000 0.842 319 K N 0.848 121.311 120.400 0.106 0.000 2.128 319 K HA 0.056 4.376 4.320 -0.000 0.000 0.202 319 K C 1.034 177.697 176.600 0.105 0.000 1.050 319 K CA 1.293 57.630 56.287 0.082 0.000 0.966 319 K CB -0.020 32.496 32.500 0.027 0.000 0.759 319 K HN 0.661 nan 8.250 nan 0.000 0.454 320 T N -3.921 110.688 114.554 0.090 0.000 2.903 320 T HA 0.434 4.784 4.350 -0.000 0.000 0.299 320 T C 0.851 175.607 174.700 0.093 0.000 1.093 320 T CA -0.713 61.437 62.100 0.082 0.000 1.002 320 T CB 1.972 70.870 68.868 0.049 0.000 1.127 320 T HN 0.063 nan 8.240 nan 0.000 0.488 321 G N 0.058 108.918 108.800 0.100 0.000 2.920 321 G HA2 0.111 4.071 3.960 -0.000 0.000 0.208 321 G HA3 0.111 4.071 3.960 -0.000 0.000 0.208 321 G C 1.183 176.138 174.900 0.090 0.000 1.159 321 G CA 0.797 45.975 45.100 0.132 0.000 0.784 321 G HN 1.018 nan 8.290 nan 0.000 0.535 322 T N -2.712 111.869 114.554 0.045 0.000 3.037 322 T HA 0.221 4.571 4.350 -0.000 0.000 0.251 322 T C 0.653 175.330 174.700 -0.038 0.000 1.079 322 T CA -0.053 62.049 62.100 0.003 0.000 1.067 322 T CB 0.434 69.292 68.868 -0.016 0.000 0.948 322 T HN 0.190 nan 8.240 nan 0.000 0.496 323 E N 0.869 121.058 120.200 -0.020 0.000 2.055 323 E HA 0.610 4.960 4.350 -0.000 0.000 0.274 323 E C -0.719 175.856 176.600 -0.041 0.000 0.949 323 E CA -0.229 56.147 56.400 -0.040 0.000 0.775 323 E CB 0.751 30.443 29.700 -0.013 0.000 1.097 323 E HN 0.427 nan 8.360 nan 0.000 0.404 324 M N 1.538 121.094 119.600 -0.073 0.000 2.846 324 M HA 0.805 5.285 4.480 -0.000 0.000 0.282 324 M C -1.350 174.921 176.300 -0.049 0.000 1.266 324 M CA -1.016 54.251 55.300 -0.055 0.000 0.766 324 M CB 2.271 34.863 32.600 -0.013 0.000 1.739 324 M HN 0.444 nan 8.290 nan 0.000 0.442 325 A N 1.020 123.841 122.820 0.001 0.000 2.547 325 A HA 0.858 5.178 4.320 -0.000 0.000 0.297 325 A C -2.971 174.737 177.584 0.206 0.000 1.056 325 A CA -1.320 50.766 52.037 0.081 0.000 0.688 325 A CB 1.442 20.481 19.000 0.064 0.000 1.282 325 A HN 0.382 nan 8.150 nan 0.000 0.400 326 P HA 0.408 nan 4.420 nan 0.000 0.275 326 P C 0.324 177.830 177.300 0.344 0.000 1.227 326 P CA 0.406 63.670 63.100 0.273 0.000 0.781 326 P CB 1.516 33.351 31.700 0.226 0.000 0.906 327 G N 1.611 110.593 108.800 0.303 0.000 3.119 327 G HA2 0.414 4.374 3.960 -0.000 0.000 0.206 327 G HA3 0.414 4.374 3.960 -0.000 0.000 0.206 327 G C -1.072 173.895 174.900 0.111 0.000 1.313 327 G CA -0.734 44.485 45.100 0.199 0.000 1.010 327 G HN 0.370 nan 8.290 nan 0.000 0.578 328 F N -0.360 119.514 119.950 -0.127 0.000 2.553 328 F HA 0.350 4.878 4.527 0.000 0.000 0.356 328 F C 0.952 176.592 175.800 -0.266 0.000 1.142 328 F CA 0.654 58.473 58.000 -0.302 0.000 1.322 328 F CB 0.050 38.731 39.000 -0.532 0.000 1.126 328 F HN 0.439 nan 8.300 nan 0.000 0.599 329 F N -0.075 119.575 119.950 -0.500 0.000 2.498 329 F HA -0.308 4.219 4.527 -0.000 0.000 0.563 329 F C 0.822 176.513 175.800 -0.181 0.000 0.514 329 F CA 0.694 58.504 58.000 -0.318 0.000 1.189 329 F CB -2.078 36.856 39.000 -0.110 0.000 1.924 329 F HN 0.330 nan 8.300 nan 0.000 0.261 330 S N 0.406 116.136 115.700 0.049 0.000 2.617 330 S HA 0.571 5.041 4.470 -0.000 0.000 0.283 330 S C -0.243 174.393 174.600 0.059 0.000 1.189 330 S CA -0.658 57.588 58.200 0.077 0.000 1.036 330 S CB 2.568 65.843 63.200 0.124 0.000 1.014 330 S HN 0.317 nan 8.310 nan 0.000 0.522 331 E N 1.034 121.289 120.200 0.090 0.000 2.275 331 E HA 0.572 4.922 4.350 -0.000 0.000 0.270 331 E C -1.505 175.275 176.600 0.300 0.000 0.882 331 E CA -0.753 55.731 56.400 0.141 0.000 0.758 331 E CB 1.565 31.279 29.700 0.023 0.000 1.195 331 E HN 0.533 nan 8.360 nan 0.000 0.419 332 V N 1.067 121.205 119.914 0.373 0.000 3.078 332 V HA 0.812 4.932 4.120 -0.000 0.000 0.311 332 V C -1.029 175.282 176.094 0.362 0.000 1.138 332 V CA -0.801 61.734 62.300 0.391 0.000 1.007 332 V CB 2.192 34.154 31.823 0.231 0.000 1.045 332 V HN 0.777 nan 8.190 nan 0.000 0.432 333 R N 1.675 122.293 120.500 0.197 0.000 2.680 333 R HA 0.708 5.048 4.340 -0.000 0.000 0.269 333 R C -1.757 174.544 176.300 0.002 0.000 1.026 333 R CA -0.783 55.368 56.100 0.086 0.000 0.889 333 R CB 2.463 32.612 30.300 -0.251 0.000 1.241 333 R HN 0.857 nan 8.270 nan 0.000 0.463 334 I N 3.535 124.146 120.570 0.069 0.000 2.382 334 I HA 0.295 4.465 4.170 -0.000 0.000 0.285 334 I C 0.245 176.352 176.117 -0.018 0.000 1.007 334 I CA -0.864 60.425 61.300 -0.018 0.000 1.142 334 I CB 1.580 39.548 38.000 -0.053 0.000 1.289 334 I HN 0.300 nan 8.210 nan 0.000 0.453 335 V N 2.902 122.769 119.914 -0.078 0.000 3.193 335 V HA 0.571 4.691 4.120 -0.000 0.000 0.320 335 V C 0.318 176.383 176.094 -0.049 0.000 1.112 335 V CA -1.110 61.141 62.300 -0.081 0.000 1.026 335 V CB 1.508 33.244 31.823 -0.144 0.000 1.128 335 V HN 0.752 nan 8.190 nan 0.000 0.452 336 R N 0.417 120.893 120.500 -0.041 0.000 2.537 336 R HA 0.382 4.722 4.340 -0.000 0.000 0.280 336 R C -0.309 175.975 176.300 -0.026 0.000 1.058 336 R CA -0.327 55.759 56.100 -0.024 0.000 1.057 336 R CB 0.214 30.502 30.300 -0.019 0.000 0.973 336 R HN 0.735 nan 8.270 nan 0.000 0.438 337 I N 3.764 124.326 120.570 -0.013 0.000 2.741 337 I HA -0.078 4.092 4.170 -0.000 0.000 0.288 337 I C 1.472 177.584 176.117 -0.009 0.000 1.192 337 I CA 1.619 62.914 61.300 -0.008 0.000 1.426 337 I CB 0.711 38.715 38.000 0.006 0.000 1.367 337 I HN 1.034 nan 8.210 nan 0.000 0.563 338 G N 3.962 112.755 108.800 -0.011 0.000 2.184 338 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.264 338 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.264 338 G C 0.443 175.337 174.900 -0.011 0.000 0.975 338 G CA 0.023 45.119 45.100 -0.007 0.000 0.642 338 G HN 1.034 nan 8.290 nan 0.000 0.536 339 G N -0.667 108.120 108.800 -0.021 0.000 2.552 339 G HA2 0.765 4.725 3.960 -0.000 0.000 0.318 339 G HA3 0.765 4.725 3.960 -0.000 0.000 0.318 339 G C 0.673 175.550 174.900 -0.037 0.000 1.240 339 G CA 0.098 45.183 45.100 -0.024 0.000 1.002 339 G HN 1.175 nan 8.290 nan 0.000 0.493 340 G N -1.669 107.110 108.800 -0.037 0.000 2.594 340 G HA2 0.407 4.367 3.960 -0.000 0.000 0.243 340 G HA3 0.407 4.367 3.960 -0.000 0.000 0.243 340 G C 1.237 176.079 174.900 -0.097 0.000 1.229 340 G CA 0.315 45.388 45.100 -0.045 0.000 0.843 340 G HN 1.329 nan 8.290 nan 0.000 0.578 341 V N -1.496 118.343 119.914 -0.125 0.000 3.383 341 V HA 0.016 4.136 4.120 -0.000 0.000 0.272 341 V C 0.965 176.850 176.094 -0.348 0.000 1.181 341 V CA 1.814 63.930 62.300 -0.306 0.000 1.171 341 V CB -0.267 31.329 31.823 -0.378 0.000 0.800 341 V HN 0.465 nan 8.190 nan 0.000 0.515 342 D N 0.264 120.564 120.400 -0.166 0.000 2.417 342 D HA 0.116 4.756 4.640 -0.000 0.000 0.207 342 D C 0.963 177.211 176.300 -0.087 0.000 1.075 342 D CA 0.238 54.173 54.000 -0.108 0.000 0.851 342 D CB 0.202 40.984 40.800 -0.031 0.000 0.976 342 D HN 0.621 nan 8.370 nan 0.000 0.505 343 E N 1.736 121.883 120.200 -0.089 0.000 2.346 343 E HA 0.049 4.399 4.350 -0.000 0.000 0.317 343 E C 0.449 177.011 176.600 -0.064 0.000 1.404 343 E CA -0.241 56.122 56.400 -0.061 0.000 1.534 343 E CB 0.237 29.907 29.700 -0.049 0.000 1.309 343 E HN 0.154 nan 8.360 nan 0.000 0.499 344 I N 1.395 121.927 120.570 -0.063 0.000 3.141 344 I HA -0.107 4.063 4.170 -0.000 0.000 0.295 344 I C 1.077 177.190 176.117 -0.006 0.000 1.252 344 I CA 0.365 61.642 61.300 -0.037 0.000 1.406 344 I CB -0.405 37.583 38.000 -0.020 0.000 1.333 344 I HN -0.006 nan 8.210 nan 0.000 0.594 345 V N 1.451 121.383 119.914 0.030 0.000 3.036 345 V HA 0.713 4.833 4.120 -0.000 0.000 0.308 345 V C 0.630 176.749 176.094 0.041 0.000 1.070 345 V CA -1.152 61.171 62.300 0.038 0.000 1.056 345 V CB 0.909 32.767 31.823 0.058 0.000 1.084 345 V HN 0.924 nan 8.190 nan 0.000 0.471 346 A N 2.032 124.870 122.820 0.030 0.000 2.483 346 A HA 0.181 4.501 4.320 -0.000 0.000 0.238 346 A C 0.621 178.235 177.584 0.051 0.000 1.070 346 A CA -0.097 51.956 52.037 0.025 0.000 0.770 346 A CB -0.326 18.684 19.000 0.018 0.000 1.008 346 A HN 0.978 nan 8.150 nan 0.000 0.497 347 N N 0.491 119.212 118.700 0.034 0.000 2.475 347 N HA 0.322 5.062 4.740 -0.000 0.000 0.267 347 N C 1.104 176.659 175.510 0.076 0.000 1.169 347 N CA 1.557 54.641 53.050 0.058 0.000 0.947 347 N CB 0.809 39.287 38.487 -0.016 0.000 1.061 347 N HN 1.243 nan 8.380 nan 0.000 0.466 348 G N 2.518 111.394 108.800 0.126 0.000 2.213 348 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.226 348 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.226 348 G C -0.258 174.688 174.900 0.078 0.000 0.992 348 G CA -0.226 44.932 45.100 0.097 0.000 0.632 348 G HN 0.594 nan 8.290 nan 0.000 0.511 349 E N 1.732 121.976 120.200 0.074 0.000 2.343 349 E HA 0.422 4.772 4.350 -0.000 0.000 0.269 349 E C 0.435 177.069 176.600 0.056 0.000 1.047 349 E CA -0.302 56.132 56.400 0.057 0.000 0.874 349 E CB 0.840 30.566 29.700 0.043 0.000 1.033 349 E HN 0.676 nan 8.360 nan 0.000 0.409 350 E N 0.502 120.731 120.200 0.049 0.000 2.349 350 E HA 0.560 4.910 4.350 -0.000 0.000 0.265 350 E C 0.237 176.851 176.600 0.024 0.000 1.064 350 E CA -0.501 55.923 56.400 0.039 0.000 0.886 350 E CB 1.080 30.830 29.700 0.083 0.000 1.036 350 E HN 0.599 nan 8.360 nan 0.000 0.413 351 G N 0.812 109.609 108.800 -0.004 0.000 2.561 351 G HA2 0.168 4.128 3.960 -0.000 0.000 0.310 351 G HA3 0.168 4.128 3.960 -0.000 0.000 0.310 351 G C -1.530 173.345 174.900 -0.041 0.000 1.292 351 G CA -0.739 44.352 45.100 -0.014 0.000 0.811 351 G HN 0.481 nan 8.290 nan 0.000 0.482 352 E N -0.288 119.883 120.200 -0.049 0.000 2.227 352 E HA 0.429 4.779 4.350 -0.000 0.000 0.282 352 E C -0.832 175.715 176.600 -0.088 0.000 1.015 352 E CA -0.699 55.665 56.400 -0.060 0.000 0.823 352 E CB 1.437 31.106 29.700 -0.051 0.000 1.081 352 E HN 0.358 nan 8.360 nan 0.000 0.396 353 L N 7.290 128.457 121.223 -0.093 0.000 2.369 353 L HA 0.281 4.621 4.340 -0.000 0.000 0.279 353 L C -0.514 176.333 176.870 -0.038 0.000 1.108 353 L CA 0.134 54.916 54.840 -0.096 0.000 0.852 353 L CB 0.231 42.207 42.059 -0.138 0.000 1.169 353 L HN 0.432 nan 8.230 nan 0.000 0.452 354 I N 4.459 125.015 120.570 -0.023 0.000 2.562 354 I HA 0.787 4.957 4.170 -0.000 0.000 0.301 354 I C -0.634 175.654 176.117 0.285 0.000 1.003 354 I CA -0.959 60.382 61.300 0.068 0.000 1.127 354 I CB 2.016 39.992 38.000 -0.040 0.000 1.304 354 I HN 0.441 nan 8.210 nan 0.000 0.446 355 V N 2.253 122.431 119.914 0.440 0.000 2.769 355 V HA 0.906 5.026 4.120 -0.000 0.000 0.312 355 V C 0.386 176.755 176.094 0.458 0.000 1.061 355 V CA -0.626 61.959 62.300 0.475 0.000 0.931 355 V CB 1.263 33.289 31.823 0.338 0.000 1.010 355 V HN 1.106 nan 8.190 nan 0.000 0.433 356 A N 2.764 125.657 122.820 0.120 0.000 2.462 356 A HA 0.684 5.004 4.320 -0.000 0.000 0.243 356 A C 0.857 178.362 177.584 -0.131 0.000 1.076 356 A CA 0.148 51.952 52.037 -0.389 0.000 0.773 356 A CB 0.411 19.045 19.000 -0.610 0.000 1.010 356 A HN 2.289 nan 8.150 nan 0.000 0.493 357 A N 3.416 126.139 122.820 -0.162 0.000 3.168 357 A HA 0.505 4.825 4.320 -0.000 0.000 0.260 357 A C 1.015 178.530 177.584 -0.114 0.000 1.598 357 A CA -0.012 51.991 52.037 -0.056 0.000 1.285 357 A CB -1.066 17.942 19.000 0.013 0.000 1.149 357 A HN 0.866 nan 8.150 nan 0.000 0.630 358 S N 0.089 115.717 115.700 -0.119 0.000 2.463 358 S HA 0.011 4.481 4.470 -0.000 0.000 0.241 358 S C 0.840 175.379 174.600 -0.102 0.000 1.299 358 S CA 0.086 58.221 58.200 -0.109 0.000 0.979 358 S CB -0.020 63.129 63.200 -0.084 0.000 0.950 358 S HN 0.563 nan 8.310 nan 0.000 0.516 359 D N 1.264 121.605 120.400 -0.098 0.000 2.149 359 D HA -0.079 4.561 4.640 -0.000 0.000 0.198 359 D C 2.219 178.426 176.300 -0.154 0.000 0.990 359 D CA 1.573 55.507 54.000 -0.111 0.000 0.839 359 D CB -0.515 40.222 40.800 -0.105 0.000 0.948 359 D HN 0.519 nan 8.370 nan 0.000 0.460 360 S N -0.377 115.205 115.700 -0.198 0.000 2.522 360 S HA 0.188 4.658 4.470 -0.000 0.000 0.227 360 S C 1.043 175.522 174.600 -0.201 0.000 0.986 360 S CA 0.135 58.182 58.200 -0.254 0.000 0.929 360 S CB -0.113 62.899 63.200 -0.314 0.000 0.769 360 S HN 0.199 nan 8.310 nan 0.000 0.529 361 A N 1.888 124.628 122.820 -0.133 0.000 2.425 361 A HA 0.496 4.816 4.320 -0.000 0.000 0.242 361 A C 0.265 177.844 177.584 -0.009 0.000 1.077 361 A CA -0.661 51.336 52.037 -0.066 0.000 0.781 361 A CB -0.378 18.596 19.000 -0.043 0.000 1.020 361 A HN 0.729 nan 8.150 nan 0.000 0.494 362 F N 0.780 120.576 119.950 -0.257 0.000 2.399 362 F HA 0.479 5.007 4.527 0.002 0.000 0.313 362 F C 1.002 176.689 175.800 -0.189 0.000 1.202 362 F CA -0.466 57.403 58.000 -0.218 0.000 1.192 362 F CB 0.769 39.605 39.000 -0.273 0.000 1.256 362 F HN 0.354 nan 8.300 nan 0.000 0.558 363 V N -1.302 118.334 119.914 -0.464 0.000 3.427 363 V HA 0.743 4.863 4.120 -0.000 0.000 0.305 363 V C 0.306 175.999 176.094 -0.670 0.000 1.412 363 V CA 0.257 62.241 62.300 -0.526 0.000 1.086 363 V CB -0.671 31.008 31.823 -0.239 0.000 0.964 363 V HN 1.558 nan 8.190 nan 0.000 0.439 364 G N -0.687 107.485 108.800 -1.046 0.000 2.347 364 G HA2 0.223 4.183 3.960 -0.000 0.000 0.321 364 G HA3 0.223 4.183 3.960 -0.000 0.000 0.321 364 G C -1.604 173.176 174.900 -0.201 0.000 1.412 364 G CA -0.842 43.844 45.100 -0.690 0.000 0.990 364 G HN 0.151 nan 8.290 nan 0.000 0.637 365 Y N -0.193 120.226 120.300 0.198 0.000 2.327 365 Y HA 0.527 5.077 4.550 0.000 0.000 0.336 365 Y C 0.958 176.903 175.900 0.074 0.000 1.035 365 Y CA -0.866 57.343 58.100 0.181 0.000 1.165 365 Y CB 1.579 40.148 38.460 0.181 0.000 1.181 365 Y HN 0.568 nan 8.280 nan 0.000 0.494 366 L N 5.176 126.513 121.223 0.191 0.000 2.700 366 L HA -0.058 4.282 4.340 -0.000 0.000 0.272 366 L C 0.390 177.324 176.870 0.107 0.000 1.176 366 L CA 0.563 55.466 54.840 0.105 0.000 0.961 366 L CB -1.091 41.007 42.059 0.064 0.000 1.249 366 L HN 0.885 nan 8.230 nan 0.000 0.487 367 N N 2.387 121.136 118.700 0.082 0.000 2.741 367 N HA -0.254 4.486 4.740 -0.000 0.000 0.251 367 N C -0.605 174.956 175.510 0.084 0.000 1.112 367 N CA 0.981 54.072 53.050 0.069 0.000 0.750 367 N CB -0.840 37.679 38.487 0.055 0.000 1.119 367 N HN 0.784 nan 8.380 nan 0.000 0.561 368 Q N -0.626 119.250 119.800 0.126 0.000 2.965 368 Q HA 0.171 4.511 4.340 -0.000 0.000 0.288 368 Q C -1.947 174.151 176.000 0.163 0.000 0.974 368 Q CA -1.514 54.367 55.803 0.132 0.000 0.849 368 Q CB 1.251 30.064 28.738 0.124 0.000 1.280 368 Q HN 0.205 nan 8.270 nan 0.000 0.441 369 P HA -0.188 nan 4.420 nan 0.000 0.229 369 P C 0.986 178.345 177.300 0.099 0.000 1.160 369 P CA 0.935 64.090 63.100 0.092 0.000 0.777 369 P CB 0.527 32.259 31.700 0.054 0.000 0.814 370 Q N 0.983 120.840 119.800 0.096 0.000 2.049 370 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 370 Q C 2.159 178.238 176.000 0.131 0.000 0.971 370 Q CA 1.991 57.848 55.803 0.091 0.000 0.833 370 Q CB -1.806 26.970 28.738 0.063 0.000 0.896 370 Q HN 0.141 nan 8.270 nan 0.000 0.434 371 A N 1.425 124.341 122.820 0.161 0.000 1.883 371 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 371 A C 2.378 180.211 177.584 0.415 0.000 1.186 371 A CA 2.407 54.576 52.037 0.219 0.000 0.624 371 A CB -1.287 17.771 19.000 0.097 0.000 0.822 371 A HN 0.541 nan 8.150 nan 0.000 0.444 372 T N 0.499 115.318 114.554 0.443 0.000 2.635 372 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 372 T C 2.094 176.912 174.700 0.196 0.000 1.040 372 T CA 1.915 64.195 62.100 0.301 0.000 1.156 372 T CB -0.503 68.429 68.868 0.108 0.000 0.863 372 T HN 0.632 nan 8.240 nan 0.000 0.430 373 A N 0.946 123.852 122.820 0.143 0.000 2.168 373 A HA -0.009 4.311 4.320 -0.000 0.000 0.215 373 A C 2.083 179.736 177.584 0.116 0.000 1.152 373 A CA 1.058 53.157 52.037 0.103 0.000 0.716 373 A CB -0.422 18.621 19.000 0.072 0.000 0.794 373 A HN 0.572 nan 8.150 nan 0.000 0.465 374 E N -0.555 119.733 120.200 0.147 0.000 2.216 374 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 374 E C 1.575 178.260 176.600 0.141 0.000 0.988 374 E CA 0.737 57.213 56.400 0.126 0.000 0.834 374 E CB 0.111 29.884 29.700 0.122 0.000 0.772 374 E HN 0.301 nan 8.360 nan 0.000 0.479 375 K N -0.261 120.274 120.400 0.227 0.000 2.329 375 K HA 0.202 4.522 4.320 -0.000 0.000 0.198 375 K C 0.416 177.191 176.600 0.291 0.000 1.085 375 K CA 0.248 56.703 56.287 0.280 0.000 0.961 375 K CB 0.688 33.533 32.500 0.574 0.000 0.971 375 K HN 0.067 nan 8.250 nan 0.000 0.502 376 L N 3.058 124.427 121.223 0.242 0.000 2.277 376 L HA 0.295 4.635 4.340 -0.000 0.000 0.284 376 L C -0.719 176.229 176.870 0.131 0.000 1.028 376 L CA -0.278 54.672 54.840 0.184 0.000 0.835 376 L CB 1.208 43.285 42.059 0.030 0.000 1.215 376 L HN -0.038 nan 8.230 nan 0.000 0.425 377 Q N 3.266 123.168 119.800 0.169 0.000 2.304 377 Q HA 0.238 4.578 4.340 -0.000 0.000 0.270 377 Q C -0.927 175.204 176.000 0.218 0.000 1.035 377 Q CA -0.912 54.982 55.803 0.152 0.000 0.781 377 Q CB 2.533 31.343 28.738 0.122 0.000 1.261 377 Q HN 0.501 nan 8.270 nan 0.000 0.444 378 D N 1.772 122.266 120.400 0.156 0.000 2.701 378 D HA -0.246 4.394 4.640 -0.000 0.000 0.235 378 D C 0.806 177.231 176.300 0.208 0.000 1.155 378 D CA 1.610 55.715 54.000 0.174 0.000 0.649 378 D CB -0.899 40.019 40.800 0.196 0.000 1.050 378 D HN 1.169 nan 8.370 nan 0.000 0.425 379 G N -1.741 107.108 108.800 0.081 0.000 2.217 379 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.246 379 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.246 379 G C 0.009 174.770 174.900 -0.231 0.000 0.990 379 G CA 0.289 45.324 45.100 -0.109 0.000 0.627 379 G HN 0.299 nan 8.290 nan 0.000 0.522 380 W N -0.438 120.897 121.300 0.059 0.000 2.578 380 W HA 0.739 5.399 4.660 -0.001 0.000 0.353 380 W C 0.014 176.622 176.519 0.149 0.000 1.088 380 W CA -1.326 56.072 57.345 0.088 0.000 1.235 380 W CB 0.658 30.152 29.460 0.057 0.000 1.362 380 W HN 0.144 nan 8.180 nan 0.000 0.592 381 Y N 2.403 122.894 120.300 0.317 0.000 2.331 381 Y HA 0.490 5.039 4.550 -0.001 0.000 0.338 381 Y C -0.030 176.016 175.900 0.242 0.000 0.992 381 Y CA -1.593 56.660 58.100 0.254 0.000 1.121 381 Y CB 0.720 39.307 38.460 0.211 0.000 1.184 381 Y HN 0.324 nan 8.280 nan 0.000 0.469 382 R N 4.379 124.497 120.500 -0.636 0.000 2.210 382 R HA 0.130 4.470 4.340 -0.000 0.000 0.338 382 R C 1.167 176.983 176.300 -0.807 0.000 1.062 382 R CA 0.488 56.290 56.100 -0.497 0.000 0.902 382 R CB 0.787 30.967 30.300 -0.199 0.000 1.050 382 R HN 0.941 nan 8.270 nan 0.000 0.461 383 T N -1.133 113.163 114.554 -0.430 0.000 2.867 383 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 383 T C 1.061 175.737 174.700 -0.041 0.000 1.057 383 T CA 1.006 63.013 62.100 -0.154 0.000 1.136 383 T CB -0.045 68.907 68.868 0.140 0.000 0.874 383 T HN 0.583 nan 8.240 nan 0.000 0.466 384 S N 0.602 116.269 115.700 -0.055 0.000 3.228 384 S HA -0.118 4.352 4.470 -0.000 0.000 0.282 384 S C -0.438 174.182 174.600 0.033 0.000 1.286 384 S CA 0.863 59.064 58.200 0.001 0.000 1.066 384 S CB -1.560 61.654 63.200 0.023 0.000 1.277 384 S HN 0.756 nan 8.310 nan 0.000 0.661 385 D N 0.674 121.098 120.400 0.040 0.000 2.163 385 D HA 0.531 5.171 4.640 -0.000 0.000 0.248 385 D C 0.120 176.408 176.300 -0.021 0.000 1.035 385 D CA -0.264 53.757 54.000 0.036 0.000 0.872 385 D CB 1.580 42.431 40.800 0.084 0.000 1.183 385 D HN 0.101 nan 8.370 nan 0.000 0.445 386 V N 1.326 121.220 119.914 -0.034 0.000 2.546 386 V HA 0.671 4.791 4.120 -0.000 0.000 0.284 386 V C 0.462 176.454 176.094 -0.169 0.000 1.050 386 V CA -0.317 61.944 62.300 -0.066 0.000 0.981 386 V CB 1.040 32.877 31.823 0.023 0.000 0.990 386 V HN 0.704 nan 8.190 nan 0.000 0.474 387 A N 4.165 126.880 122.820 -0.174 0.000 2.532 387 A HA 0.942 5.262 4.320 -0.000 0.000 0.290 387 A C -1.165 176.299 177.584 -0.200 0.000 1.143 387 A CA -0.682 51.209 52.037 -0.243 0.000 0.728 387 A CB 2.270 21.069 19.000 -0.336 0.000 1.317 387 A HN 0.913 nan 8.150 nan 0.000 0.414 388 V N -0.528 119.252 119.914 -0.222 0.000 2.971 388 V HA 0.606 4.726 4.120 -0.000 0.000 0.309 388 V C -1.898 174.096 176.094 -0.167 0.000 1.130 388 V CA -0.725 61.495 62.300 -0.134 0.000 0.964 388 V CB 1.888 33.691 31.823 -0.034 0.000 1.029 388 V HN 0.904 nan 8.190 nan 0.000 0.427 389 W N 4.257 125.541 121.300 -0.026 0.000 2.345 389 W HA 0.467 5.126 4.660 -0.000 0.000 0.308 389 W C 0.972 177.482 176.519 -0.015 0.000 1.273 389 W CA -0.138 57.194 57.345 -0.022 0.000 1.243 389 W CB 1.319 30.770 29.460 -0.017 0.000 1.260 389 W HN 0.746 nan 8.180 nan 0.000 0.509 390 T N 1.742 116.448 114.554 0.253 0.000 2.913 390 T HA 0.130 4.480 4.350 -0.000 0.000 0.297 390 T C -1.630 173.161 174.700 0.153 0.000 1.029 390 T CA -1.479 60.713 62.100 0.153 0.000 1.104 390 T CB 1.344 70.272 68.868 0.100 0.000 0.964 390 T HN 0.175 nan 8.240 nan 0.000 0.532 391 P HA -0.140 nan 4.420 nan 0.000 0.218 391 P C 0.931 178.263 177.300 0.053 0.000 1.150 391 P CA 1.102 64.237 63.100 0.058 0.000 0.841 391 P CB -0.024 31.700 31.700 0.040 0.000 0.784 392 E N -1.635 118.605 120.200 0.065 0.000 2.515 392 E HA 0.133 4.483 4.350 -0.000 0.000 0.201 392 E C 1.509 178.154 176.600 0.074 0.000 1.071 392 E CA 0.865 57.299 56.400 0.055 0.000 0.880 392 E CB -1.054 28.675 29.700 0.048 0.000 0.828 392 E HN 0.235 nan 8.360 nan 0.000 0.540 393 G N 0.641 109.508 108.800 0.111 0.000 2.143 393 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.249 393 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.249 393 G C 0.509 175.607 174.900 0.331 0.000 0.981 393 G CA 0.679 45.861 45.100 0.136 0.000 0.665 393 G HN 0.452 nan 8.290 nan 0.000 0.528 394 T N -2.587 112.156 114.554 0.314 0.000 2.950 394 T HA 0.730 5.080 4.350 -0.000 0.000 0.288 394 T C -0.055 174.701 174.700 0.093 0.000 1.035 394 T CA -0.472 61.766 62.100 0.229 0.000 1.028 394 T CB 2.750 71.661 68.868 0.072 0.000 1.109 394 T HN 0.734 nan 8.240 nan 0.000 0.514 395 V N 1.890 121.672 119.914 -0.220 0.000 2.407 395 V HA 0.490 4.610 4.120 -0.000 0.000 0.278 395 V C 0.477 176.393 176.094 -0.297 0.000 1.037 395 V CA -0.806 61.186 62.300 -0.513 0.000 0.900 395 V CB 0.980 32.387 31.823 -0.693 0.000 0.983 395 V HN 0.915 nan 8.190 nan 0.000 0.459 396 R N 5.512 125.856 120.500 -0.260 0.000 2.215 396 R HA 0.415 4.755 4.340 -0.000 0.000 0.337 396 R C -0.553 175.608 176.300 -0.232 0.000 1.010 396 R CA -0.657 55.332 56.100 -0.185 0.000 0.871 396 R CB 0.448 30.684 30.300 -0.107 0.000 1.134 396 R HN 0.573 nan 8.270 nan 0.000 0.477 397 I N 7.225 127.650 120.570 -0.242 0.000 2.581 397 I HA -0.063 4.107 4.170 -0.000 0.000 0.285 397 I C 1.015 177.011 176.117 -0.202 0.000 1.129 397 I CA 0.441 61.591 61.300 -0.249 0.000 1.397 397 I CB 0.562 38.421 38.000 -0.235 0.000 1.399 397 I HN 0.853 nan 8.210 nan 0.000 0.537 398 L N 5.622 126.678 121.223 -0.277 0.000 2.408 398 L HA 0.370 4.710 4.340 -0.000 0.000 0.215 398 L C 1.030 177.659 176.870 -0.401 0.000 1.081 398 L CA 0.273 54.862 54.840 -0.418 0.000 0.840 398 L CB 0.049 41.663 42.059 -0.741 0.000 1.002 398 L HN 0.875 nan 8.230 nan 0.000 0.468 399 G N -0.369 108.282 108.800 -0.248 0.000 2.361 399 G HA2 0.067 4.027 3.960 -0.000 0.000 0.305 399 G HA3 0.067 4.027 3.960 -0.000 0.000 0.305 399 G C -1.310 173.603 174.900 0.022 0.000 1.367 399 G CA -1.006 44.060 45.100 -0.056 0.000 0.951 399 G HN -0.136 nan 8.290 nan 0.000 0.615 400 R N -0.279 120.268 120.500 0.078 0.000 2.590 400 R HA 0.325 4.665 4.340 -0.000 0.000 0.274 400 R C 1.575 177.935 176.300 0.100 0.000 1.061 400 R CA -0.172 55.977 56.100 0.081 0.000 1.081 400 R CB 1.315 31.660 30.300 0.074 0.000 0.984 400 R HN 0.303 nan 8.270 nan 0.000 0.448 401 V N 2.401 122.360 119.914 0.076 0.000 2.392 401 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 401 V C 1.761 177.890 176.094 0.059 0.000 1.059 401 V CA 2.357 64.700 62.300 0.072 0.000 1.051 401 V CB -0.480 31.368 31.823 0.043 0.000 0.658 401 V HN 0.820 nan 8.190 nan 0.000 0.455 402 D N -0.332 120.098 120.400 0.050 0.000 2.178 402 D HA -0.162 4.478 4.640 -0.000 0.000 0.202 402 D C 1.555 177.877 176.300 0.037 0.000 0.974 402 D CA 1.075 55.097 54.000 0.037 0.000 0.841 402 D CB -0.023 40.796 40.800 0.032 0.000 0.953 402 D HN 0.424 nan 8.370 nan 0.000 0.478 403 D N -0.235 120.197 120.400 0.053 0.000 2.355 403 D HA -0.025 4.615 4.640 -0.000 0.000 0.218 403 D C 0.726 177.050 176.300 0.041 0.000 1.004 403 D CA 0.011 54.041 54.000 0.049 0.000 0.880 403 D CB -0.216 40.622 40.800 0.063 0.000 0.911 403 D HN 0.351 nan 8.370 nan 0.000 0.528 404 M N 1.260 120.886 119.600 0.043 0.000 2.260 404 M HA 0.042 4.522 4.480 -0.000 0.000 0.348 404 M C -0.467 175.793 176.300 -0.065 0.000 1.342 404 M CA 0.471 55.749 55.300 -0.036 0.000 1.040 404 M CB 0.458 33.039 32.600 -0.032 0.000 1.810 404 M HN -0.213 nan 8.290 nan 0.000 0.453 405 I N 6.405 126.910 120.570 -0.109 0.000 2.321 405 I HA 0.285 4.455 4.170 -0.000 0.000 0.291 405 I C -0.583 175.498 176.117 -0.061 0.000 0.998 405 I CA -0.367 60.895 61.300 -0.063 0.000 1.227 405 I CB 1.306 39.279 38.000 -0.045 0.000 1.368 405 I HN 0.602 nan 8.210 nan 0.000 0.466 406 I N 5.714 126.266 120.570 -0.029 0.000 2.306 406 I HA 0.198 4.368 4.170 -0.000 0.000 0.288 406 I C 0.066 176.192 176.117 0.014 0.000 1.036 406 I CA 0.124 61.418 61.300 -0.010 0.000 1.221 406 I CB 1.164 39.163 38.000 -0.002 0.000 1.385 406 I HN 0.452 nan 8.210 nan 0.000 0.472 407 S N 4.733 120.452 115.700 0.031 0.000 2.596 407 S HA 0.581 5.051 4.470 -0.000 0.000 0.318 407 S C 0.426 175.058 174.600 0.054 0.000 1.097 407 S CA -0.229 58.001 58.200 0.049 0.000 1.080 407 S CB 1.111 64.349 63.200 0.063 0.000 0.991 407 S HN 0.991 nan 8.310 nan 0.000 0.471 408 G N 3.477 112.320 108.800 0.072 0.000 2.334 408 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.279 408 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.279 408 G C 1.133 176.037 174.900 0.008 0.000 0.918 408 G CA 0.426 45.563 45.100 0.062 0.000 1.314 408 G HN 2.146 nan 8.290 nan 0.000 0.463 409 G N -0.764 108.045 108.800 0.014 0.000 2.321 409 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.287 409 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.287 409 G C 0.099 174.970 174.900 -0.049 0.000 1.018 409 G CA 1.001 46.093 45.100 -0.015 0.000 0.855 409 G HN 0.995 nan 8.290 nan 0.000 0.507 410 E N -0.348 119.825 120.200 -0.045 0.000 2.292 410 E HA 0.239 4.589 4.350 -0.000 0.000 0.272 410 E C -0.759 175.843 176.600 0.002 0.000 0.881 410 E CA -0.937 55.420 56.400 -0.072 0.000 0.754 410 E CB 1.037 30.610 29.700 -0.212 0.000 1.201 410 E HN 0.140 nan 8.360 nan 0.000 0.425 411 N N 2.549 121.256 118.700 0.010 0.000 2.411 411 N HA 0.307 5.047 4.740 -0.000 0.000 0.259 411 N C -0.459 175.029 175.510 -0.037 0.000 1.103 411 N CA 0.163 53.188 53.050 -0.041 0.000 0.954 411 N CB 0.432 38.907 38.487 -0.021 0.000 1.085 411 N HN 0.360 nan 8.380 nan 0.000 0.485 412 I N 2.557 123.031 120.570 -0.159 0.000 2.465 412 I HA 0.201 4.371 4.170 -0.000 0.000 0.291 412 I C -0.257 175.656 176.117 -0.340 0.000 1.014 412 I CA -0.728 60.492 61.300 -0.133 0.000 1.093 412 I CB 1.477 39.474 38.000 -0.005 0.000 1.267 412 I HN 0.273 nan 8.210 nan 0.000 0.431 413 H N 6.648 125.736 119.070 0.029 0.000 2.595 413 H HA 0.231 4.787 4.556 -0.000 0.000 0.313 413 H C -1.960 173.373 175.328 0.009 0.000 1.023 413 H CA -1.836 54.223 56.048 0.018 0.000 1.218 413 H CB 1.741 31.514 29.762 0.017 0.000 1.403 413 H HN 0.328 nan 8.280 nan 0.000 0.477 414 P HA -0.183 nan 4.420 nan 0.000 0.216 414 P C 1.625 178.966 177.300 0.068 0.000 1.150 414 P CA 1.418 64.553 63.100 0.058 0.000 0.837 414 P CB 0.297 32.023 31.700 0.043 0.000 0.786 415 S N 0.129 115.881 115.700 0.086 0.000 2.380 415 S HA -0.289 4.181 4.470 -0.000 0.000 0.229 415 S C 2.011 176.646 174.600 0.059 0.000 1.043 415 S CA 1.532 59.772 58.200 0.066 0.000 1.038 415 S CB -1.376 61.859 63.200 0.057 0.000 0.872 415 S HN 0.259 nan 8.310 nan 0.000 0.456 416 E N 1.119 121.361 120.200 0.069 0.000 2.038 416 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 416 E C 2.045 178.670 176.600 0.042 0.000 1.000 416 E CA 1.600 58.029 56.400 0.049 0.000 0.803 416 E CB -0.245 29.485 29.700 0.049 0.000 0.750 416 E HN 0.648 nan 8.360 nan 0.000 0.448 417 I N 0.681 121.274 120.570 0.038 0.000 2.394 417 I HA -0.207 3.963 4.170 -0.000 0.000 0.251 417 I C 2.155 178.308 176.117 0.061 0.000 1.136 417 I CA 0.949 62.271 61.300 0.035 0.000 1.425 417 I CB -0.253 37.753 38.000 0.010 0.000 1.079 417 I HN 0.114 nan 8.210 nan 0.000 0.425 418 E N 0.797 121.030 120.200 0.056 0.000 2.110 418 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 418 E C 2.311 178.950 176.600 0.065 0.000 0.988 418 E CA 0.868 57.305 56.400 0.060 0.000 0.804 418 E CB -0.042 29.688 29.700 0.050 0.000 0.745 418 E HN 0.403 nan 8.360 nan 0.000 0.458 419 R N 0.296 120.832 120.500 0.062 0.000 2.115 419 R HA -0.087 4.253 4.340 -0.000 0.000 0.230 419 R C 2.318 178.671 176.300 0.089 0.000 1.111 419 R CA 0.850 56.987 56.100 0.063 0.000 0.976 419 R CB -0.102 30.228 30.300 0.051 0.000 0.870 419 R HN 0.061 nan 8.270 nan 0.000 0.445 420 V N 1.301 121.279 119.914 0.107 0.000 2.239 420 V HA -0.200 3.920 4.120 -0.000 0.000 0.242 420 V C 2.293 178.553 176.094 0.276 0.000 1.038 420 V CA 1.500 63.902 62.300 0.169 0.000 1.002 420 V CB -0.423 31.473 31.823 0.123 0.000 0.641 420 V HN 0.265 nan 8.190 nan 0.000 0.449 421 L N 0.720 122.080 121.223 0.229 0.000 2.189 421 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 421 L C 2.427 179.327 176.870 0.050 0.000 1.097 421 L CA 1.656 56.604 54.840 0.179 0.000 0.764 421 L CB -0.941 41.215 42.059 0.161 0.000 0.900 421 L HN 0.531 nan 8.230 nan 0.000 0.436 422 G N -1.257 107.579 108.800 0.060 0.000 2.598 422 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 422 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 422 G C 1.525 176.422 174.900 -0.004 0.000 1.131 422 G CA 1.022 46.134 45.100 0.020 0.000 0.785 422 G HN 0.475 nan 8.290 nan 0.000 0.539 423 T N -2.201 112.370 114.554 0.029 0.000 3.086 423 T HA 0.570 4.920 4.350 -0.000 0.000 0.250 423 T C 1.188 175.782 174.700 -0.177 0.000 1.074 423 T CA 0.435 62.549 62.100 0.023 0.000 0.988 423 T CB 0.247 69.211 68.868 0.159 0.000 0.988 423 T HN 0.307 nan 8.240 nan 0.000 0.530 424 A N 3.806 126.312 122.820 -0.523 0.000 2.477 424 A HA 0.514 4.834 4.320 -0.000 0.000 0.246 424 A C -2.032 175.238 177.584 -0.523 0.000 1.078 424 A CA -1.368 49.964 52.037 -1.176 0.000 0.770 424 A CB -0.116 18.132 19.000 -1.254 0.000 1.011 424 A HN 0.376 nan 8.150 nan 0.000 0.494 425 P HA 0.261 nan 4.420 nan 0.000 0.271 425 P C 0.807 178.002 177.300 -0.176 0.000 1.216 425 P CA 1.268 64.248 63.100 -0.200 0.000 0.776 425 P CB 0.913 32.539 31.700 -0.122 0.000 0.881 426 G N 0.947 109.678 108.800 -0.114 0.000 2.159 426 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.256 426 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.256 426 G C -0.148 174.702 174.900 -0.083 0.000 0.977 426 G CA -0.130 44.917 45.100 -0.089 0.000 0.652 426 G HN 0.552 nan 8.290 nan 0.000 0.531 427 V N 0.825 120.681 119.914 -0.097 0.000 2.370 427 V HA 0.597 4.717 4.120 -0.000 0.000 0.279 427 V C 1.329 177.399 176.094 -0.040 0.000 1.029 427 V CA 0.722 62.982 62.300 -0.067 0.000 0.870 427 V CB 1.436 33.209 31.823 -0.082 0.000 0.984 427 V HN 0.330 nan 8.190 nan 0.000 0.451 428 T N 3.731 118.273 114.554 -0.020 0.000 3.044 428 T HA 0.163 4.513 4.350 -0.000 0.000 0.255 428 T C 0.423 175.124 174.700 0.001 0.000 1.073 428 T CA 0.721 62.816 62.100 -0.009 0.000 1.125 428 T CB 0.021 68.886 68.868 -0.005 0.000 0.908 428 T HN 0.742 nan 8.240 nan 0.000 0.480 429 E N -0.047 120.157 120.200 0.008 0.000 2.381 429 E HA 0.491 4.841 4.350 -0.000 0.000 0.286 429 E C -2.173 174.444 176.600 0.028 0.000 0.960 429 E CA -0.591 55.819 56.400 0.017 0.000 0.793 429 E CB 2.184 31.895 29.700 0.017 0.000 1.225 429 E HN 0.039 nan 8.360 nan 0.000 0.420 430 V N 4.005 123.940 119.914 0.035 0.000 2.888 430 V HA 0.717 4.837 4.120 -0.000 0.000 0.309 430 V C -1.817 174.304 176.094 0.045 0.000 1.114 430 V CA -0.352 61.978 62.300 0.050 0.000 0.940 430 V CB 2.009 33.869 31.823 0.062 0.000 1.021 430 V HN 0.486 nan 8.190 nan 0.000 0.426 431 V N 6.133 126.075 119.914 0.046 0.000 2.709 431 V HA 0.601 4.721 4.120 -0.000 0.000 0.308 431 V C -0.545 175.568 176.094 0.032 0.000 1.062 431 V CA -0.640 61.681 62.300 0.035 0.000 0.901 431 V CB 2.079 33.917 31.823 0.025 0.000 1.003 431 V HN 0.725 nan 8.190 nan 0.000 0.425 432 V N 5.973 125.901 119.914 0.024 0.000 2.398 432 V HA 0.617 4.737 4.120 -0.000 0.000 0.286 432 V C -0.100 175.996 176.094 0.004 0.000 1.026 432 V CA -0.319 61.986 62.300 0.007 0.000 0.868 432 V CB 1.394 33.217 31.823 0.001 0.000 0.982 432 V HN 0.819 nan 8.190 nan 0.000 0.443 433 I N 1.460 122.028 120.570 -0.004 0.000 3.206 433 I HA 1.022 5.192 4.170 -0.000 0.000 0.313 433 I C 0.223 176.330 176.117 -0.016 0.000 1.103 433 I CA -1.025 60.270 61.300 -0.008 0.000 0.985 433 I CB 2.482 40.475 38.000 -0.012 0.000 1.240 433 I HN 0.603 nan 8.210 nan 0.000 0.464 434 G N 3.035 111.822 108.800 -0.021 0.000 2.605 434 G HA2 0.577 4.537 3.960 -0.000 0.000 0.304 434 G HA3 0.577 4.537 3.960 -0.000 0.000 0.304 434 G C -0.794 174.085 174.900 -0.035 0.000 1.333 434 G CA -0.537 44.546 45.100 -0.029 0.000 0.973 434 G HN 0.538 nan 8.290 nan 0.000 0.507 435 L N 1.593 122.795 121.223 -0.035 0.000 2.436 435 L HA 0.450 4.790 4.340 -0.000 0.000 0.265 435 L C 1.046 177.868 176.870 -0.079 0.000 1.168 435 L CA -0.649 54.166 54.840 -0.042 0.000 0.815 435 L CB 1.446 43.500 42.059 -0.008 0.000 1.109 435 L HN 0.561 nan 8.230 nan 0.000 0.462 436 A N 2.040 124.810 122.820 -0.084 0.000 2.376 436 A HA 0.522 4.842 4.320 -0.000 0.000 0.298 436 A C -0.122 177.359 177.584 -0.171 0.000 1.271 436 A CA 0.451 52.417 52.037 -0.119 0.000 0.926 436 A CB -0.466 18.485 19.000 -0.081 0.000 1.141 436 A HN 0.886 nan 8.150 nan 0.000 0.539 437 D N 0.542 120.762 120.400 -0.300 0.000 2.087 437 D HA 0.672 5.312 4.640 -0.000 0.000 0.161 437 D C -0.657 175.215 176.300 -0.712 0.000 1.196 437 D CA 0.589 54.374 54.000 -0.357 0.000 0.916 437 D CB -0.498 40.159 40.800 -0.239 0.000 2.216 437 D HN 1.680 nan 8.370 nan 0.000 0.512 438 Q N -0.214 119.230 119.800 -0.593 0.000 2.814 438 Q HA 0.996 5.336 4.340 -0.000 0.000 0.322 438 Q C 1.089 176.920 176.000 -0.282 0.000 0.861 438 Q CA 1.083 56.388 55.803 -0.831 0.000 0.773 438 Q CB 0.786 28.811 28.738 -1.188 0.000 1.423 438 Q HN 2.235 nan 8.270 nan 0.000 0.495 439 R N -2.449 118.011 120.500 -0.068 0.000 1.231 439 R HA -0.099 4.241 4.340 -0.000 0.000 0.033 439 R C -0.929 175.571 176.300 0.334 0.000 0.957 439 R CA 2.313 58.495 56.100 0.136 0.000 1.983 439 R CB -1.598 28.736 30.300 0.057 0.000 0.184 439 R HN 1.498 nan 8.270 nan 0.000 0.729 440 W N -2.269 119.035 121.300 0.006 0.000 3.348 440 W HA 0.387 5.047 4.660 -0.000 0.000 0.325 440 W C 0.781 177.301 176.519 0.001 0.000 0.887 440 W CA 0.582 57.929 57.345 0.003 0.000 0.913 440 W CB -0.171 29.289 29.460 -0.000 0.000 1.373 440 W HN 0.971 nan 8.180 nan 0.000 0.536 441 G N 0.893 109.848 108.800 0.258 0.000 5.229 441 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.250 441 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.250 441 G C 0.024 174.890 174.900 -0.057 0.000 1.380 441 G CA 0.866 46.051 45.100 0.142 0.000 0.933 441 G HN 0.630 nan 8.290 nan 0.000 0.731 442 Q N -0.319 119.448 119.800 -0.055 0.000 2.340 442 Q HA 0.587 4.927 4.340 -0.000 0.000 0.276 442 Q C -1.440 174.519 176.000 -0.069 0.000 1.048 442 Q CA -0.274 55.483 55.803 -0.077 0.000 0.832 442 Q CB 2.335 31.051 28.738 -0.036 0.000 1.373 442 Q HN 0.411 nan 8.270 nan 0.000 0.409 443 S N 1.242 116.893 115.700 -0.082 0.000 2.433 443 S HA 0.401 4.871 4.470 -0.000 0.000 0.310 443 S C -0.424 174.147 174.600 -0.047 0.000 1.097 443 S CA -0.477 57.685 58.200 -0.064 0.000 1.103 443 S CB 0.872 64.023 63.200 -0.081 0.000 0.992 443 S HN 0.380 nan 8.310 nan 0.000 0.469 444 V N 5.984 125.872 119.914 -0.042 0.000 2.485 444 V HA 0.254 4.374 4.120 -0.000 0.000 0.287 444 V C 0.388 176.424 176.094 -0.096 0.000 1.022 444 V CA 0.359 62.624 62.300 -0.057 0.000 1.067 444 V CB 0.659 32.449 31.823 -0.055 0.000 0.967 444 V HN 0.941 nan 8.190 nan 0.000 0.479 445 T N 4.586 119.091 114.554 -0.082 0.000 2.861 445 T HA 0.694 5.044 4.350 -0.000 0.000 0.287 445 T C -0.130 174.509 174.700 -0.101 0.000 1.003 445 T CA -0.350 61.694 62.100 -0.093 0.000 0.977 445 T CB 1.761 70.659 68.868 0.050 0.000 0.996 445 T HN 0.840 nan 8.240 nan 0.000 0.448 446 A N 1.531 124.212 122.820 -0.231 0.000 2.292 446 A HA 0.624 4.944 4.320 -0.000 0.000 0.319 446 A C -0.122 177.512 177.584 0.084 0.000 1.206 446 A CA -0.608 51.359 52.037 -0.116 0.000 0.835 446 A CB 0.243 19.105 19.000 -0.230 0.000 1.164 446 A HN 0.971 nan 8.150 nan 0.000 0.505 447 C N 2.794 122.165 119.300 0.118 0.000 2.251 447 C HA 0.623 5.083 4.460 -0.000 0.000 0.323 447 C C 0.327 175.396 174.990 0.132 0.000 1.241 447 C CA -0.592 58.521 59.018 0.158 0.000 1.601 447 C CB -0.145 27.650 27.740 0.093 0.000 2.251 447 C HN 0.796 nan 8.230 nan 0.000 0.488 448 V N 5.311 125.318 119.914 0.155 0.000 2.680 448 V HA 0.821 4.941 4.120 -0.000 0.000 0.309 448 V C -0.809 175.329 176.094 0.072 0.000 1.052 448 V CA -0.290 62.075 62.300 0.108 0.000 0.908 448 V CB 2.079 33.974 31.823 0.119 0.000 1.001 448 V HN 0.560 nan 8.190 nan 0.000 0.431 449 V N 8.300 128.241 119.914 0.044 0.000 2.370 449 V HA 0.494 4.614 4.120 -0.000 0.000 0.283 449 V C -2.126 173.974 176.094 0.010 0.000 1.023 449 V CA -1.630 60.686 62.300 0.027 0.000 0.857 449 V CB 1.547 33.383 31.823 0.022 0.000 0.985 449 V HN 0.911 nan 8.190 nan 0.000 0.443 450 P HA 0.215 nan 4.420 nan 0.000 0.275 450 P C -0.203 177.090 177.300 -0.012 0.000 1.228 450 P CA -0.496 62.596 63.100 -0.012 0.000 0.786 450 P CB 0.890 32.583 31.700 -0.013 0.000 0.927 451 R N 1.014 121.501 120.500 -0.020 0.000 2.698 451 R HA 0.040 4.380 4.340 -0.000 0.000 0.266 451 R C 0.379 176.671 176.300 -0.013 0.000 1.026 451 R CA -0.597 55.493 56.100 -0.017 0.000 1.102 451 R CB -0.199 30.087 30.300 -0.023 0.000 0.978 451 R HN 0.434 nan 8.270 nan 0.000 0.436 452 L N 3.031 124.248 121.223 -0.009 0.000 2.737 452 L HA -0.105 4.235 4.340 -0.000 0.000 0.279 452 L C 1.186 178.050 176.870 -0.010 0.000 1.200 452 L CA 2.166 57.002 54.840 -0.007 0.000 0.952 452 L CB -0.049 42.007 42.059 -0.006 0.000 1.240 452 L HN 0.943 nan 8.230 nan 0.000 0.486 453 G N 2.330 111.125 108.800 -0.009 0.000 2.225 453 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 453 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 453 G C 0.341 175.234 174.900 -0.013 0.000 0.988 453 G CA 0.227 45.322 45.100 -0.009 0.000 0.625 453 G HN 0.628 nan 8.290 nan 0.000 0.527 454 E N 1.143 121.333 120.200 -0.016 0.000 2.349 454 E HA 0.533 4.883 4.350 -0.000 0.000 0.262 454 E C 0.318 176.905 176.600 -0.021 0.000 1.088 454 E CA 0.122 56.509 56.400 -0.022 0.000 0.899 454 E CB 0.836 30.518 29.700 -0.029 0.000 1.044 454 E HN 0.243 nan 8.360 nan 0.000 0.420 455 T N 1.741 116.280 114.554 -0.026 0.000 2.907 455 T HA 0.583 4.933 4.350 -0.000 0.000 0.284 455 T C 0.324 174.999 174.700 -0.042 0.000 1.004 455 T CA -0.574 61.509 62.100 -0.027 0.000 1.063 455 T CB 0.610 69.462 68.868 -0.026 0.000 0.992 455 T HN 0.158 nan 8.240 nan 0.000 0.483 456 L N 1.857 123.053 121.223 -0.045 0.000 2.319 456 L HA 0.770 5.110 4.340 -0.000 0.000 0.267 456 L C 0.204 177.026 176.870 -0.080 0.000 1.011 456 L CA -0.941 53.855 54.840 -0.073 0.000 0.818 456 L CB 2.111 44.123 42.059 -0.078 0.000 1.316 456 L HN 0.771 nan 8.230 nan 0.000 0.432 457 S N -0.275 115.355 115.700 -0.118 0.000 2.570 457 S HA 0.669 5.139 4.470 -0.000 0.000 0.286 457 S C 0.404 174.869 174.600 -0.224 0.000 1.099 457 S CA -0.120 58.005 58.200 -0.125 0.000 0.913 457 S CB 1.895 65.041 63.200 -0.091 0.000 1.085 457 S HN 0.715 nan 8.310 nan 0.000 0.480 458 A N 1.522 124.214 122.820 -0.214 0.000 1.902 458 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 458 A C 1.693 179.094 177.584 -0.305 0.000 1.181 458 A CA 1.844 53.673 52.037 -0.346 0.000 0.623 458 A CB -1.145 17.803 19.000 -0.086 0.000 0.818 458 A HN 0.885 nan 8.150 nan 0.000 0.443 459 D N 0.187 120.498 120.400 -0.150 0.000 2.116 459 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 459 D C 2.218 178.456 176.300 -0.104 0.000 0.998 459 D CA 1.836 55.780 54.000 -0.094 0.000 0.836 459 D CB -0.443 40.324 40.800 -0.056 0.000 0.951 459 D HN 0.438 nan 8.370 nan 0.000 0.449 460 A N 0.249 122.996 122.820 -0.123 0.000 1.929 460 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 460 A C 2.437 179.966 177.584 -0.092 0.000 1.176 460 A CA 0.718 52.705 52.037 -0.083 0.000 0.628 460 A CB -0.647 18.305 19.000 -0.079 0.000 0.816 460 A HN 0.192 nan 8.150 nan 0.000 0.444 461 L N -0.481 120.591 121.223 -0.251 0.000 2.056 461 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 461 L C 2.385 179.214 176.870 -0.069 0.000 1.078 461 L CA 1.602 56.288 54.840 -0.257 0.000 0.749 461 L CB -0.545 41.112 42.059 -0.670 0.000 0.901 461 L HN 0.416 nan 8.230 nan 0.000 0.433 462 D N -0.244 120.070 120.400 -0.143 0.000 2.092 462 D HA -0.199 4.441 4.640 -0.000 0.000 0.193 462 D C 2.030 178.375 176.300 0.075 0.000 0.994 462 D CA 1.996 56.041 54.000 0.076 0.000 0.828 462 D CB -0.028 40.816 40.800 0.073 0.000 0.963 462 D HN 0.122 nan 8.370 nan 0.000 0.450 463 T N -0.337 114.241 114.554 0.041 0.000 2.699 463 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 463 T C 1.659 176.402 174.700 0.072 0.000 1.036 463 T CA 1.308 63.434 62.100 0.043 0.000 1.147 463 T CB -0.682 68.206 68.868 0.033 0.000 0.862 463 T HN 0.239 nan 8.240 nan 0.000 0.446 464 F N 1.392 121.325 119.950 -0.028 0.000 2.046 464 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 464 F C 2.576 178.379 175.800 0.005 0.000 1.123 464 F CA 0.896 58.887 58.000 -0.014 0.000 1.199 464 F CB -0.888 38.099 39.000 -0.022 0.000 0.972 464 F HN 0.155 nan 8.300 nan 0.000 0.474 465 C N 0.756 120.116 119.300 0.101 0.000 2.403 465 C HA -0.203 4.257 4.460 -0.000 0.000 0.277 465 C C 2.890 177.830 174.990 -0.083 0.000 1.248 465 C CA 1.334 60.356 59.018 0.007 0.000 1.762 465 C CB -1.397 26.425 27.740 0.137 0.000 2.014 465 C HN 0.466 nan 8.230 nan 0.000 0.486 466 R N 0.443 120.914 120.500 -0.049 0.000 2.096 466 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 466 R C 2.219 178.460 176.300 -0.098 0.000 1.127 466 R CA 1.681 57.751 56.100 -0.051 0.000 0.968 466 R CB -0.230 30.059 30.300 -0.020 0.000 0.861 466 R HN 0.483 nan 8.270 nan 0.000 0.440 467 S N 0.305 115.908 115.700 -0.161 0.000 2.489 467 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 467 S C 0.955 175.410 174.600 -0.241 0.000 0.995 467 S CA 0.503 58.588 58.200 -0.191 0.000 0.934 467 S CB 0.079 63.150 63.200 -0.216 0.000 0.771 467 S HN 0.443 nan 8.310 nan 0.000 0.522 468 S N 1.782 117.295 115.700 -0.313 0.000 2.626 468 S HA 0.144 4.614 4.470 -0.000 0.000 0.257 468 S C 0.854 175.370 174.600 -0.139 0.000 1.288 468 S CA -0.534 57.512 58.200 -0.257 0.000 0.980 468 S CB 0.349 63.394 63.200 -0.258 0.000 0.975 468 S HN 0.263 nan 8.310 nan 0.000 0.577 469 E N -0.022 120.117 120.200 -0.102 0.000 2.482 469 E HA 0.100 4.450 4.350 -0.000 0.000 0.196 469 E C 0.155 176.713 176.600 -0.069 0.000 1.047 469 E CA -0.014 56.345 56.400 -0.068 0.000 0.869 469 E CB -0.437 29.235 29.700 -0.046 0.000 0.836 469 E HN 0.541 nan 8.360 nan 0.000 0.520 470 L N 1.800 122.972 121.223 -0.086 0.000 2.540 470 L HA -0.008 4.332 4.340 -0.000 0.000 0.276 470 L C 0.793 177.585 176.870 -0.130 0.000 1.212 470 L CA -0.357 54.414 54.840 -0.115 0.000 0.893 470 L CB 0.061 42.049 42.059 -0.119 0.000 1.138 470 L HN -0.015 nan 8.230 nan 0.000 0.491 471 A N 2.674 125.384 122.820 -0.183 0.000 2.507 471 A HA 0.051 4.371 4.320 -0.000 0.000 0.235 471 A C 0.972 178.424 177.584 -0.220 0.000 1.070 471 A CA -0.181 51.755 52.037 -0.168 0.000 0.768 471 A CB 0.132 19.038 19.000 -0.156 0.000 1.011 471 A HN 0.893 nan 8.150 nan 0.000 0.502 472 D N 1.228 121.608 120.400 -0.032 0.000 2.177 472 D HA -0.346 4.294 4.640 -0.000 0.000 0.189 472 D C 1.297 177.585 176.300 -0.020 0.000 1.002 472 D CA 2.641 56.655 54.000 0.024 0.000 0.845 472 D CB -0.955 39.919 40.800 0.123 0.000 0.960 472 D HN 0.784 nan 8.370 nan 0.000 0.447 473 F N 0.459 120.413 119.950 0.006 0.000 2.333 473 F HA 0.055 4.582 4.527 -0.000 0.000 0.300 473 F C 1.766 177.564 175.800 -0.002 0.000 1.083 473 F CA 0.665 58.667 58.000 0.003 0.000 1.395 473 F CB -0.531 38.471 39.000 0.004 0.000 1.056 473 F HN -0.149 nan 8.300 nan 0.000 0.529 474 K N 0.743 120.751 120.400 -0.653 0.000 2.288 474 K HA 0.030 4.350 4.320 -0.000 0.000 0.201 474 K C 0.562 177.053 176.600 -0.181 0.000 1.048 474 K CA 0.234 56.273 56.287 -0.415 0.000 0.956 474 K CB -0.160 32.048 32.500 -0.486 0.000 0.746 474 K HN 0.250 nan 8.250 nan 0.000 0.461 475 R N 2.192 122.614 120.500 -0.131 0.000 2.522 475 R HA 0.052 4.392 4.340 -0.000 0.000 0.284 475 R C -2.456 173.807 176.300 -0.062 0.000 1.032 475 R CA -1.511 54.556 56.100 -0.056 0.000 1.049 475 R CB -0.391 29.901 30.300 -0.014 0.000 0.956 475 R HN -0.061 nan 8.270 nan 0.000 0.422 476 P HA -0.066 nan 4.420 nan 0.000 0.265 476 P C 0.118 177.313 177.300 -0.176 0.000 1.187 476 P CA 0.292 63.255 63.100 -0.228 0.000 0.766 476 P CB 0.548 31.913 31.700 -0.558 0.000 0.820 477 K N 1.955 122.262 120.400 -0.157 0.000 2.404 477 K HA 0.142 4.462 4.320 -0.000 0.000 0.194 477 K C 0.744 177.269 176.600 -0.126 0.000 1.023 477 K CA 0.481 56.713 56.287 -0.092 0.000 1.094 477 K CB 0.631 33.096 32.500 -0.059 0.000 0.841 477 K HN 0.444 nan 8.250 nan 0.000 0.523 478 R N -0.551 119.791 120.500 -0.265 0.000 2.664 478 R HA 0.299 4.639 4.340 -0.000 0.000 0.266 478 R C -1.837 174.181 176.300 -0.471 0.000 1.046 478 R CA -0.603 55.336 56.100 -0.269 0.000 0.885 478 R CB 1.528 31.688 30.300 -0.233 0.000 1.254 478 R HN -0.126 nan 8.270 nan 0.000 0.465 479 Y N 1.133 121.269 120.300 -0.272 0.000 2.442 479 Y HA 0.509 5.059 4.550 0.000 0.000 0.344 479 Y C -0.843 174.846 175.900 -0.351 0.000 0.976 479 Y CA -0.541 57.450 58.100 -0.182 0.000 1.040 479 Y CB 1.910 40.309 38.460 -0.102 0.000 1.228 479 Y HN 0.367 nan 8.280 nan 0.000 0.451 480 F N 4.144 124.177 119.950 0.139 0.000 2.460 480 F HA 0.441 4.968 4.527 0.000 0.000 0.341 480 F C -0.737 175.114 175.800 0.085 0.000 1.130 480 F CA -1.009 57.042 58.000 0.084 0.000 0.962 480 F CB 1.022 40.044 39.000 0.037 0.000 1.171 480 F HN 0.168 nan 8.300 nan 0.000 0.436 481 I N 5.411 126.106 120.570 0.209 0.000 2.396 481 I HA 0.290 4.460 4.170 -0.000 0.000 0.289 481 I C -0.137 176.052 176.117 0.120 0.000 1.056 481 I CA -0.510 60.868 61.300 0.131 0.000 1.365 481 I CB 0.027 38.066 38.000 0.066 0.000 1.407 481 I HN 0.471 nan 8.210 nan 0.000 0.509 482 L N 5.254 126.533 121.223 0.093 0.000 2.341 482 L HA 0.411 4.751 4.340 -0.000 0.000 0.267 482 L C 0.875 177.768 176.870 0.039 0.000 1.009 482 L CA -0.744 54.134 54.840 0.063 0.000 0.819 482 L CB 1.933 44.023 42.059 0.052 0.000 1.323 482 L HN 0.534 nan 8.230 nan 0.000 0.425 483 D N -0.740 119.677 120.400 0.027 0.000 2.323 483 D HA -0.040 4.600 4.640 -0.000 0.000 0.209 483 D C 0.292 176.601 176.300 0.014 0.000 0.973 483 D CA 0.476 54.487 54.000 0.018 0.000 0.874 483 D CB 0.443 41.251 40.800 0.013 0.000 0.930 483 D HN 0.472 nan 8.370 nan 0.000 0.521 484 Q N -0.424 119.385 119.800 0.014 0.000 2.756 484 Q HA 0.244 4.584 4.340 -0.000 0.000 0.295 484 Q C -1.840 174.165 176.000 0.007 0.000 0.903 484 Q CA -0.819 54.990 55.803 0.011 0.000 0.768 484 Q CB 0.439 29.181 28.738 0.007 0.000 1.472 484 Q HN 0.182 nan 8.270 nan 0.000 0.416 485 L N 2.060 123.287 121.223 0.007 0.000 2.309 485 L HA 0.576 4.916 4.340 -0.000 0.000 0.282 485 L C -2.022 174.846 176.870 -0.003 0.000 1.036 485 L CA -1.983 52.857 54.840 0.001 0.000 0.806 485 L CB 1.530 43.593 42.059 0.007 0.000 1.220 485 L HN 0.474 nan 8.230 nan 0.000 0.429 486 P HA 0.246 nan 4.420 nan 0.000 0.276 486 P C -1.214 176.082 177.300 -0.007 0.000 1.243 486 P CA -0.343 62.750 63.100 -0.011 0.000 0.768 486 P CB 1.170 32.858 31.700 -0.019 0.000 0.856 487 K N 2.324 122.722 120.400 -0.004 0.000 2.385 487 K HA 0.321 4.641 4.320 -0.000 0.000 0.248 487 K C 0.672 177.271 176.600 -0.003 0.000 0.955 487 K CA -0.746 55.541 56.287 -0.001 0.000 0.816 487 K CB 1.151 33.654 32.500 0.004 0.000 1.250 487 K HN 0.411 nan 8.250 nan 0.000 0.434 488 N N 0.583 119.282 118.700 -0.002 0.000 2.294 488 N HA 0.085 4.825 4.740 -0.000 0.000 0.275 488 N C 0.848 176.353 175.510 -0.007 0.000 1.291 488 N CA 0.386 53.432 53.050 -0.006 0.000 0.933 488 N CB -0.341 38.142 38.487 -0.007 0.000 1.096 488 N HN 0.488 nan 8.380 nan 0.000 0.525 489 A N -0.544 122.267 122.820 -0.014 0.000 1.883 489 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 489 A C 1.838 179.416 177.584 -0.011 0.000 1.186 489 A CA 1.768 53.794 52.037 -0.017 0.000 0.624 489 A CB -1.248 17.733 19.000 -0.033 0.000 0.822 489 A HN 0.600 nan 8.150 nan 0.000 0.444 490 L N -1.415 119.804 121.223 -0.008 0.000 2.737 490 L HA 0.268 4.608 4.340 -0.000 0.000 0.236 490 L C 0.644 177.525 176.870 0.019 0.000 1.219 490 L CA 0.013 54.857 54.840 0.007 0.000 1.021 490 L CB -0.659 41.407 42.059 0.011 0.000 1.291 490 L HN 0.373 nan 8.230 nan 0.000 0.470 491 N N -0.716 117.992 118.700 0.013 0.000 2.900 491 N HA -0.223 4.517 4.740 -0.000 0.000 0.240 491 N C 0.621 176.141 175.510 0.015 0.000 0.953 491 N CA 1.679 54.738 53.050 0.015 0.000 0.950 491 N CB -0.549 37.950 38.487 0.019 0.000 1.102 491 N HN 0.658 nan 8.380 nan 0.000 0.593 492 K N 1.093 121.503 120.400 0.017 0.000 2.326 492 K HA 0.468 4.788 4.320 -0.000 0.000 0.275 492 K C 0.815 177.422 176.600 0.012 0.000 1.018 492 K CA 0.222 56.519 56.287 0.018 0.000 0.962 492 K CB 0.267 32.780 32.500 0.022 0.000 0.953 492 K HN 0.231 nan 8.250 nan 0.000 0.475 493 V N 0.713 120.635 119.914 0.013 0.000 2.572 493 V HA 0.265 4.385 4.120 -0.000 0.000 0.291 493 V C 0.676 176.772 176.094 0.004 0.000 1.039 493 V CA -0.720 61.586 62.300 0.009 0.000 1.055 493 V CB 0.275 32.105 31.823 0.011 0.000 0.969 493 V HN 0.675 nan 8.190 nan 0.000 0.482 494 L N 5.029 126.250 121.223 -0.002 0.000 2.423 494 L HA 0.317 4.657 4.340 -0.000 0.000 0.249 494 L C 1.815 178.677 176.870 -0.012 0.000 1.276 494 L CA -0.106 54.730 54.840 -0.007 0.000 1.199 494 L CB -0.575 41.477 42.059 -0.012 0.000 1.407 494 L HN 0.724 nan 8.230 nan 0.000 0.410 495 R N 1.058 121.554 120.500 -0.007 0.000 2.115 495 R HA -0.293 4.047 4.340 -0.000 0.000 0.239 495 R C 2.762 179.051 176.300 -0.019 0.000 1.133 495 R CA 2.487 58.580 56.100 -0.011 0.000 0.935 495 R CB -0.454 29.845 30.300 -0.001 0.000 0.853 495 R HN 0.666 nan 8.270 nan 0.000 0.433 496 R N 1.271 121.762 120.500 -0.015 0.000 2.133 496 R HA -0.286 4.054 4.340 -0.000 0.000 0.245 496 R C 1.954 178.236 176.300 -0.029 0.000 1.137 496 R CA 2.363 58.451 56.100 -0.019 0.000 0.947 496 R CB -1.629 28.662 30.300 -0.014 0.000 0.865 496 R HN 0.579 nan 8.270 nan 0.000 0.437 497 Q N -0.810 118.972 119.800 -0.029 0.000 2.123 497 Q HA -0.022 4.318 4.340 -0.000 0.000 0.199 497 Q C 2.300 178.270 176.000 -0.051 0.000 0.966 497 Q CA 1.312 57.094 55.803 -0.036 0.000 0.845 497 Q CB -0.090 28.631 28.738 -0.029 0.000 0.907 497 Q HN 0.480 nan 8.270 nan 0.000 0.439 498 L N 0.456 121.648 121.223 -0.053 0.000 1.989 498 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 498 L C 2.214 179.019 176.870 -0.108 0.000 1.071 498 L CA 1.606 56.401 54.840 -0.075 0.000 0.749 498 L CB -0.945 41.079 42.059 -0.058 0.000 0.890 498 L HN 0.089 nan 8.230 nan 0.000 0.431 499 V N -0.186 119.676 119.914 -0.088 0.000 2.236 499 V HA -0.455 3.665 4.120 -0.000 0.000 0.255 499 V C 3.061 179.090 176.094 -0.109 0.000 1.068 499 V CA 3.000 65.242 62.300 -0.096 0.000 1.044 499 V CB -1.904 29.882 31.823 -0.062 0.000 0.653 499 V HN 0.740 nan 8.190 nan 0.000 0.448 500 Q N -0.446 119.305 119.800 -0.083 0.000 2.062 500 Q HA -0.374 3.966 4.340 -0.000 0.000 0.209 500 Q C 2.236 178.175 176.000 -0.100 0.000 0.996 500 Q CA 2.709 58.467 55.803 -0.076 0.000 0.859 500 Q CB -1.036 27.669 28.738 -0.054 0.000 0.920 500 Q HN 0.801 nan 8.270 nan 0.000 0.415 501 Q N 0.142 119.875 119.800 -0.112 0.000 2.368 501 Q HA -0.003 4.337 4.340 -0.000 0.000 0.210 501 Q C 0.921 176.792 176.000 -0.216 0.000 0.982 501 Q CA 1.209 56.934 55.803 -0.131 0.000 0.884 501 Q CB -0.498 28.171 28.738 -0.115 0.000 0.933 501 Q HN 0.732 nan 8.270 nan 0.000 0.460 502 V N 0.000 119.733 119.914 -0.302 0.000 2.409 502 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 502 V CA 0.000 61.957 62.300 -0.571 0.000 1.235 502 V CB 0.000 31.204 31.823 -1.031 0.000 1.184 502 V HN 0.000 nan 8.190 nan 0.000 0.556