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 1xfc_1_B DATA FIRST_RESID 11 DATA SEQUENCE LAEAMVDLGA IEHNVRVLRE HAGHAQLMAV VKADGYGHGA TRVAQTALGA DATA SEQUENCE GAAELGVATV DEALALRADG ITAPVLAWLH PPGIDFGPAL LADVQVAVSS DATA SEQUENCE LRQLDELLHA VRRTGRTATV TVKVDTGLNR NGVGPAQFPA MLTALRQAMA DATA SEQUENCE EDAVRLRGLM SHMVYADKPD DSINDVQAQR FTAFLAQARE QGVRFEVAHL DATA SEQUENCE SNSSATMARP DLTFDLVRPG IAVYGLSPVP ALGDMGLVPA MTVKCAVALV DATA SEQUENCE KSIXXXXXXX XXXXXXXXRD TNLALLPIGY ADGVFRSLGG RLEVLINGRR DATA SEQUENCE CPGVGRICMD QFMVDLGPGP LDVAEGDEAI LFGPGIRGEP TAQDWADLVG DATA SEQUENCE TIHYEVVTSP RGRITRTYRE A 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.852 176.870 -0.030 0.000 1.165 11 L CA 0.000 54.824 54.840 -0.027 0.000 0.813 11 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 12 A N -0.033 122.766 122.820 -0.035 0.000 2.605 12 A HA 0.748 5.068 4.320 0.000 0.000 0.294 12 A C -1.589 175.957 177.584 -0.064 0.000 1.062 12 A CA 0.144 52.154 52.037 -0.043 0.000 0.682 12 A CB 1.307 20.292 19.000 -0.024 0.000 1.278 12 A HN 0.189 nan 8.150 nan 0.000 0.410 13 E N 0.239 120.384 120.200 -0.091 0.000 2.413 13 E HA 0.719 5.069 4.350 0.000 0.000 0.277 13 E C -0.761 175.736 176.600 -0.171 0.000 0.958 13 E CA -0.840 55.489 56.400 -0.118 0.000 0.779 13 E CB 2.143 31.777 29.700 -0.110 0.000 1.278 13 E HN 1.358 nan 8.360 nan 0.000 0.456 14 A N 3.408 126.111 122.820 -0.195 0.000 2.341 14 A HA 0.423 4.744 4.320 0.000 0.000 0.326 14 A C -0.459 176.962 177.584 -0.272 0.000 1.402 14 A CA -0.603 51.281 52.037 -0.257 0.000 0.957 14 A CB 0.051 18.907 19.000 -0.240 0.000 1.151 14 A HN 0.683 nan 8.150 nan 0.000 0.533 15 M N 4.134 123.585 119.600 -0.248 0.000 2.113 15 M HA 0.448 4.928 4.480 0.000 0.000 0.352 15 M C -1.427 174.760 176.300 -0.187 0.000 1.170 15 M CA -0.351 54.815 55.300 -0.223 0.000 1.053 15 M CB 0.857 33.367 32.600 -0.150 0.000 1.601 15 M HN 0.314 nan 8.290 nan 0.000 0.459 16 V N 4.806 124.588 119.914 -0.221 0.000 2.350 16 V HA 0.188 4.308 4.120 0.000 0.000 0.276 16 V C -0.260 175.878 176.094 0.073 0.000 1.028 16 V CA -0.649 61.625 62.300 -0.043 0.000 0.860 16 V CB 1.182 32.998 31.823 -0.011 0.000 0.990 16 V HN 0.706 nan 8.190 nan 0.000 0.453 17 D N 4.464 124.914 120.400 0.085 0.000 2.374 17 D HA 0.206 4.846 4.640 0.000 0.000 0.240 17 D C 0.945 177.310 176.300 0.109 0.000 1.229 17 D CA -0.012 54.037 54.000 0.081 0.000 0.895 17 D CB 1.201 42.026 40.800 0.041 0.000 1.046 17 D HN 0.462 nan 8.370 nan 0.000 0.498 18 L N 2.858 124.159 121.223 0.129 0.000 2.465 18 L HA 0.055 4.395 4.340 0.000 0.000 0.224 18 L C 2.322 179.228 176.870 0.061 0.000 1.145 18 L CA 0.585 55.489 54.840 0.106 0.000 0.834 18 L CB 0.014 42.130 42.059 0.096 0.000 0.944 18 L HN 0.454 nan 8.230 nan 0.000 0.451 19 G N -0.169 108.664 108.800 0.054 0.000 2.408 19 G HA2 -0.190 3.770 3.960 0.000 0.000 0.217 19 G HA3 -0.190 3.770 3.960 0.000 0.000 0.217 19 G C 1.785 176.716 174.900 0.051 0.000 1.150 19 G CA 0.736 45.861 45.100 0.042 0.000 0.776 19 G HN 0.438 nan 8.290 nan 0.000 0.542 20 A N 1.036 123.881 122.820 0.041 0.000 1.898 20 A HA 0.080 4.400 4.320 0.000 0.000 0.216 20 A C 2.332 179.953 177.584 0.062 0.000 1.181 20 A CA 1.139 53.198 52.037 0.038 0.000 0.620 20 A CB -0.260 18.753 19.000 0.021 0.000 0.819 20 A HN 0.252 nan 8.150 nan 0.000 0.442 21 I N 0.106 120.694 120.570 0.030 0.000 2.091 21 I HA -0.288 3.882 4.170 0.000 0.000 0.239 21 I C 2.436 178.535 176.117 -0.030 0.000 1.061 21 I CA 2.126 63.406 61.300 -0.033 0.000 1.317 21 I CB -1.597 36.387 38.000 -0.027 0.000 1.031 21 I HN 0.556 nan 8.210 nan 0.000 0.401 22 E N 0.034 120.235 120.200 0.003 0.000 2.065 22 E HA -0.316 4.034 4.350 0.000 0.000 0.201 22 E C 2.428 179.033 176.600 0.008 0.000 1.016 22 E CA 1.699 58.098 56.400 -0.001 0.000 0.818 22 E CB -0.283 29.427 29.700 0.016 0.000 0.749 22 E HN 0.503 nan 8.360 nan 0.000 0.453 23 H N 0.622 119.671 119.070 -0.036 0.000 2.289 23 H HA -0.151 4.405 4.556 0.000 0.000 0.296 23 H C 1.805 177.111 175.328 -0.038 0.000 1.091 23 H CA 2.065 58.096 56.048 -0.030 0.000 1.274 23 H CB -0.127 29.623 29.762 -0.019 0.000 1.364 23 H HN 0.183 nan 8.280 nan 0.000 0.490 24 N N 0.445 119.177 118.700 0.054 0.000 2.104 24 N HA -0.132 4.608 4.740 0.000 0.000 0.190 24 N C 2.283 177.717 175.510 -0.126 0.000 1.024 24 N CA 1.297 54.330 53.050 -0.028 0.000 0.853 24 N CB -0.572 37.895 38.487 -0.033 0.000 1.008 24 N HN 0.211 nan 8.380 nan 0.000 0.424 25 V N 1.626 121.467 119.914 -0.122 0.000 2.427 25 V HA -0.145 3.975 4.120 0.000 0.000 0.248 25 V C 2.303 178.329 176.094 -0.113 0.000 1.051 25 V CA 1.357 63.584 62.300 -0.121 0.000 1.048 25 V CB -0.334 31.422 31.823 -0.111 0.000 0.666 25 V HN 0.283 nan 8.190 nan 0.000 0.456 26 R N -0.520 119.898 120.500 -0.136 0.000 2.092 26 R HA -0.093 4.247 4.340 0.000 0.000 0.231 26 R C 2.256 178.470 176.300 -0.143 0.000 1.119 26 R CA 1.189 57.208 56.100 -0.134 0.000 0.970 26 R CB -0.570 29.646 30.300 -0.141 0.000 0.864 26 R HN 0.381 nan 8.270 nan 0.000 0.440 27 V N 1.743 121.533 119.914 -0.206 0.000 2.287 27 V HA -0.247 3.873 4.120 0.000 0.000 0.248 27 V C 2.310 178.431 176.094 0.045 0.000 1.053 27 V CA 1.720 63.950 62.300 -0.117 0.000 1.027 27 V CB -0.377 31.359 31.823 -0.145 0.000 0.646 27 V HN 0.263 nan 8.190 nan 0.000 0.447 28 L N -0.806 120.416 121.223 -0.003 0.000 2.083 28 L HA -0.175 4.165 4.340 0.000 0.000 0.209 28 L C 2.720 179.610 176.870 0.033 0.000 1.083 28 L CA 1.624 56.479 54.840 0.026 0.000 0.752 28 L CB -0.526 41.503 42.059 -0.051 0.000 0.899 28 L HN 0.213 nan 8.230 nan 0.000 0.433 29 R N -0.439 120.047 120.500 -0.023 0.000 2.081 29 R HA -0.165 4.175 4.340 0.000 0.000 0.235 29 R C 2.245 178.519 176.300 -0.044 0.000 1.131 29 R CA 1.116 57.193 56.100 -0.038 0.000 0.960 29 R CB -0.201 30.062 30.300 -0.062 0.000 0.856 29 R HN 0.230 nan 8.270 nan 0.000 0.436 30 E N -0.034 120.131 120.200 -0.059 0.000 2.058 30 E HA -0.189 4.161 4.350 0.000 0.000 0.194 30 E C 1.876 178.408 176.600 -0.114 0.000 0.997 30 E CA 1.573 57.905 56.400 -0.112 0.000 0.801 30 E CB -0.471 29.130 29.700 -0.165 0.000 0.746 30 E HN 0.513 nan 8.360 nan 0.000 0.450 31 H N -0.407 118.632 119.070 -0.053 0.000 2.456 31 H HA 0.066 4.622 4.556 0.000 0.000 0.296 31 H C 1.664 176.976 175.328 -0.027 0.000 1.079 31 H CA 1.353 57.380 56.048 -0.034 0.000 1.322 31 H CB 0.040 29.785 29.762 -0.029 0.000 1.388 31 H HN 0.212 nan 8.280 nan 0.000 0.538 32 A N 0.181 123.050 122.820 0.082 0.000 2.123 32 A HA 0.266 4.586 4.320 0.000 0.000 0.214 32 A C 2.028 179.623 177.584 0.018 0.000 1.152 32 A CA 0.901 52.966 52.037 0.047 0.000 0.728 32 A CB -0.687 18.330 19.000 0.027 0.000 0.814 32 A HN 0.564 nan 8.150 nan 0.000 0.464 33 G N -0.346 108.437 108.800 -0.028 0.000 2.660 33 G HA2 -0.395 3.565 3.960 0.000 0.000 0.321 33 G HA3 -0.395 3.565 3.960 0.000 0.000 0.321 33 G C 0.836 175.662 174.900 -0.124 0.000 1.246 33 G CA 0.688 45.742 45.100 -0.076 0.000 1.000 33 G HN 0.554 nan 8.290 nan 0.000 0.550 34 H N 1.813 120.889 119.070 0.009 0.000 2.548 34 H HA 0.361 4.918 4.556 0.000 0.000 0.268 34 H C 2.023 177.365 175.328 0.024 0.000 0.975 34 H CA 0.851 56.907 56.048 0.013 0.000 1.195 34 H CB -0.440 29.329 29.762 0.013 0.000 1.397 34 H HN 0.772 nan 8.280 nan 0.000 0.572 35 A N 1.750 124.633 122.820 0.105 0.000 2.540 35 A HA 0.008 4.329 4.320 0.000 0.000 0.239 35 A C 0.447 178.061 177.584 0.051 0.000 1.061 35 A CA -0.084 52.005 52.037 0.087 0.000 0.758 35 A CB 0.136 19.187 19.000 0.084 0.000 0.991 35 A HN 0.393 nan 8.150 nan 0.000 0.502 36 Q N 0.335 120.165 119.800 0.050 0.000 2.352 36 Q HA 0.362 4.702 4.340 0.000 0.000 0.260 36 Q C -0.536 175.465 176.000 0.002 0.000 0.976 36 Q CA 0.035 55.851 55.803 0.022 0.000 0.881 36 Q CB 1.108 29.859 28.738 0.022 0.000 1.235 36 Q HN 0.691 nan 8.270 nan 0.000 0.419 37 L N 3.183 124.399 121.223 -0.012 0.000 2.282 37 L HA 0.422 4.762 4.340 0.000 0.000 0.288 37 L C -0.826 176.027 176.870 -0.029 0.000 1.033 37 L CA -0.298 54.529 54.840 -0.022 0.000 0.807 37 L CB 0.948 42.989 42.059 -0.029 0.000 1.209 37 L HN 0.657 nan 8.230 nan 0.000 0.423 38 M N 5.865 125.446 119.600 -0.032 0.000 2.055 38 M HA 0.474 4.954 4.480 0.000 0.000 0.346 38 M C -0.347 175.956 176.300 0.006 0.000 1.074 38 M CA -0.560 54.730 55.300 -0.016 0.000 1.009 38 M CB 0.962 33.544 32.600 -0.030 0.000 1.423 38 M HN 0.761 nan 8.290 nan 0.000 0.410 39 A N 4.881 127.694 122.820 -0.012 0.000 2.491 39 A HA 0.418 4.738 4.320 0.000 0.000 0.261 39 A C -0.297 177.304 177.584 0.028 0.000 1.101 39 A CA -0.377 51.638 52.037 -0.036 0.000 0.772 39 A CB -0.014 18.937 19.000 -0.081 0.000 1.043 39 A HN 0.680 nan 8.150 nan 0.000 0.501 40 V N 4.389 124.336 119.914 0.056 0.000 2.408 40 V HA 0.245 4.365 4.120 0.000 0.000 0.267 40 V C 0.813 177.016 176.094 0.182 0.000 1.047 40 V CA 0.289 62.701 62.300 0.187 0.000 0.937 40 V CB 1.014 33.024 31.823 0.312 0.000 0.999 40 V HN 0.957 nan 8.190 nan 0.000 0.472 41 V N 2.425 122.455 119.914 0.193 0.000 2.915 41 V HA 0.313 4.433 4.120 0.000 0.000 0.364 41 V C 0.639 176.874 176.094 0.234 0.000 1.354 41 V CA -0.740 61.703 62.300 0.238 0.000 1.213 41 V CB -0.614 31.300 31.823 0.152 0.000 1.268 41 V HN 0.863 nan 8.190 nan 0.000 0.557 42 K N 0.968 121.531 120.400 0.272 0.000 2.286 42 K HA 0.579 4.899 4.320 0.000 0.000 0.256 42 K C 0.756 177.464 176.600 0.181 0.000 0.999 42 K CA 0.384 56.769 56.287 0.164 0.000 0.908 42 K CB 0.427 33.015 32.500 0.147 0.000 0.981 42 K HN 1.328 nan 8.250 nan 0.000 0.500 43 A N 1.357 124.217 122.820 0.067 0.000 2.687 43 A HA -0.183 4.137 4.320 0.000 0.000 0.299 43 A C 0.202 177.834 177.584 0.079 0.000 1.497 43 A CA 1.128 53.188 52.037 0.038 0.000 0.751 43 A CB -2.307 16.670 19.000 -0.038 0.000 1.048 43 A HN 1.021 nan 8.150 nan 0.000 0.464 44 D N -2.232 118.221 120.400 0.089 0.000 2.697 44 D HA 0.009 4.649 4.640 0.000 0.000 0.238 44 D C 1.229 177.627 176.300 0.162 0.000 1.152 44 D CA 2.807 56.871 54.000 0.106 0.000 0.666 44 D CB -1.359 39.489 40.800 0.080 0.000 1.037 44 D HN 2.449 nan 8.370 nan 0.000 0.423 45 G N 1.203 110.132 108.800 0.215 0.000 2.338 45 G HA2 -0.342 3.618 3.960 0.000 0.000 0.296 45 G HA3 -0.342 3.618 3.960 0.000 0.000 0.296 45 G C 0.409 175.374 174.900 0.109 0.000 1.040 45 G CA 0.406 45.675 45.100 0.281 0.000 1.004 45 G HN 0.747 nan 8.290 nan 0.000 0.509 46 Y N -2.283 117.922 120.300 -0.158 0.000 3.305 46 Y HA -0.186 4.364 4.550 0.000 0.000 0.212 46 Y C 2.103 177.980 175.900 -0.039 0.000 1.248 46 Y CA 1.844 59.810 58.100 -0.223 0.000 1.359 46 Y CB -1.683 36.346 38.460 -0.717 0.000 1.407 46 Y HN 2.083 nan 8.280 nan 0.000 0.572 47 G N -1.536 107.334 108.800 0.118 0.000 2.189 47 G HA2 -0.421 3.539 3.960 0.000 0.000 0.267 47 G HA3 -0.421 3.539 3.960 0.000 0.000 0.267 47 G C 0.609 175.513 174.900 0.006 0.000 0.975 47 G CA 0.834 45.962 45.100 0.046 0.000 0.644 47 G HN 0.654 nan 8.290 nan 0.000 0.537 48 H N -0.132 118.950 119.070 0.019 0.000 2.592 48 H HA 0.461 5.017 4.556 0.000 0.000 0.265 48 H C 1.571 177.025 175.328 0.209 0.000 0.955 48 H CA 1.240 57.346 56.048 0.096 0.000 1.175 48 H CB 0.803 30.672 29.762 0.177 0.000 1.433 48 H HN 1.438 nan 8.280 nan 0.000 0.537 49 G N 0.419 109.402 108.800 0.304 0.000 3.017 49 G HA2 0.048 4.008 3.960 0.000 0.000 0.680 49 G HA3 0.048 4.008 3.960 0.000 0.000 0.680 49 G C 0.851 175.891 174.900 0.233 0.000 1.179 49 G CA -0.067 45.207 45.100 0.289 0.000 1.142 49 G HN 0.466 nan 8.290 nan 0.000 0.489 50 A N 1.987 124.910 122.820 0.171 0.000 1.892 50 A HA 0.022 4.342 4.320 0.000 0.000 0.218 50 A C 2.594 180.230 177.584 0.088 0.000 1.188 50 A CA 3.059 55.180 52.037 0.139 0.000 0.631 50 A CB -0.663 18.397 19.000 0.100 0.000 0.822 50 A HN 1.240 nan 8.150 nan 0.000 0.447 51 T N -0.675 113.913 114.554 0.056 0.000 2.701 51 T HA -0.090 4.261 4.350 0.000 0.000 0.263 51 T C 2.175 176.860 174.700 -0.026 0.000 1.040 51 T CA 1.281 63.387 62.100 0.010 0.000 1.147 51 T CB -0.197 68.668 68.868 -0.005 0.000 0.865 51 T HN 0.358 nan 8.240 nan 0.000 0.426 52 R N 0.742 121.202 120.500 -0.067 0.000 2.075 52 R HA 0.023 4.363 4.340 0.000 0.000 0.232 52 R C 2.509 178.781 176.300 -0.048 0.000 1.126 52 R CA 0.776 56.777 56.100 -0.165 0.000 0.963 52 R CB -1.281 28.708 30.300 -0.518 0.000 0.858 52 R HN 0.310 nan 8.270 nan 0.000 0.435 53 V N 1.496 121.446 119.914 0.060 0.000 2.343 53 V HA -0.233 3.888 4.120 0.000 0.000 0.247 53 V C 2.586 178.682 176.094 0.003 0.000 1.051 53 V CA 1.878 64.218 62.300 0.067 0.000 1.036 53 V CB -0.901 31.021 31.823 0.165 0.000 0.654 53 V HN 0.324 nan 8.190 nan 0.000 0.451 54 A N -0.652 122.176 122.820 0.013 0.000 1.908 54 A HA -0.305 4.016 4.320 0.000 0.000 0.218 54 A C 2.178 179.749 177.584 -0.023 0.000 1.181 54 A CA 2.069 54.102 52.037 -0.007 0.000 0.627 54 A CB -0.483 18.520 19.000 0.005 0.000 0.818 54 A HN 0.652 nan 8.150 nan 0.000 0.445 55 Q N -0.989 118.794 119.800 -0.029 0.000 2.050 55 Q HA -0.131 4.210 4.340 0.000 0.000 0.202 55 Q C 2.208 178.187 176.000 -0.036 0.000 0.980 55 Q CA 1.919 57.701 55.803 -0.035 0.000 0.840 55 Q CB -0.507 28.202 28.738 -0.049 0.000 0.898 55 Q HN 0.663 nan 8.270 nan 0.000 0.424 56 T N 1.073 115.604 114.554 -0.038 0.000 2.746 56 T HA -0.166 4.184 4.350 0.000 0.000 0.267 56 T C 1.952 176.627 174.700 -0.041 0.000 1.039 56 T CA 1.293 63.372 62.100 -0.034 0.000 1.142 56 T CB -0.318 68.536 68.868 -0.024 0.000 0.866 56 T HN 0.411 nan 8.240 nan 0.000 0.444 57 A N 1.274 124.062 122.820 -0.054 0.000 1.877 57 A HA 0.027 4.348 4.320 0.000 0.000 0.216 57 A C 2.294 179.848 177.584 -0.050 0.000 1.186 57 A CA 1.186 53.182 52.037 -0.068 0.000 0.620 57 A CB -0.875 18.070 19.000 -0.091 0.000 0.822 57 A HN 0.476 nan 8.150 nan 0.000 0.443 58 L N -0.533 120.667 121.223 -0.038 0.000 2.079 58 L HA -0.139 4.201 4.340 0.000 0.000 0.210 58 L C 2.729 179.582 176.870 -0.027 0.000 1.081 58 L CA 1.089 55.912 54.840 -0.029 0.000 0.752 58 L CB -0.702 41.344 42.059 -0.021 0.000 0.896 58 L HN 0.481 nan 8.230 nan 0.000 0.433 59 G N -0.638 108.145 108.800 -0.028 0.000 2.443 59 G HA2 -0.115 3.845 3.960 0.000 0.000 0.219 59 G HA3 -0.115 3.845 3.960 0.000 0.000 0.219 59 G C 1.534 176.417 174.900 -0.027 0.000 1.131 59 G CA 0.620 45.706 45.100 -0.025 0.000 0.775 59 G HN 0.456 nan 8.290 nan 0.000 0.547 60 A N -0.607 122.192 122.820 -0.035 0.000 2.251 60 A HA 0.510 4.830 4.320 0.000 0.000 0.209 60 A C 1.807 179.364 177.584 -0.044 0.000 1.187 60 A CA 1.216 53.229 52.037 -0.041 0.000 0.823 60 A CB -0.239 18.730 19.000 -0.050 0.000 0.846 60 A HN 1.467 nan 8.150 nan 0.000 0.486 61 G N -2.132 106.645 108.800 -0.038 0.000 2.192 61 G HA2 0.170 4.130 3.960 0.000 0.000 0.193 61 G HA3 0.170 4.130 3.960 0.000 0.000 0.193 61 G C 0.434 175.312 174.900 -0.036 0.000 0.999 61 G CA -0.003 45.075 45.100 -0.036 0.000 0.659 61 G HN 1.476 nan 8.290 nan 0.000 0.503 62 A N 0.289 123.085 122.820 -0.040 0.000 2.498 62 A HA 0.739 5.059 4.320 0.000 0.000 0.239 62 A C 1.608 179.178 177.584 -0.024 0.000 1.068 62 A CA 1.183 53.198 52.037 -0.037 0.000 0.766 62 A CB 0.635 19.608 19.000 -0.044 0.000 1.003 62 A HN 1.723 nan 8.150 nan 0.000 0.497 63 A N 1.762 124.571 122.820 -0.018 0.000 1.997 63 A HA 0.329 4.649 4.320 0.000 0.000 0.212 63 A C 0.747 178.328 177.584 -0.005 0.000 1.178 63 A CA 1.067 53.099 52.037 -0.008 0.000 0.698 63 A CB 0.012 19.010 19.000 -0.003 0.000 0.842 63 A HN 0.859 nan 8.150 nan 0.000 0.458 64 E N -1.841 118.354 120.200 -0.007 0.000 2.454 64 E HA 0.647 4.997 4.350 0.000 0.000 0.279 64 E C -1.753 174.851 176.600 0.007 0.000 1.029 64 E CA -0.744 55.657 56.400 0.002 0.000 0.831 64 E CB 1.583 31.285 29.700 0.003 0.000 1.405 64 E HN 0.174 nan 8.360 nan 0.000 0.463 65 L N 0.349 121.584 121.223 0.021 0.000 2.354 65 L HA 0.779 5.119 4.340 0.000 0.000 0.269 65 L C -0.042 176.863 176.870 0.058 0.000 1.005 65 L CA -0.886 53.972 54.840 0.030 0.000 0.819 65 L CB 2.061 44.128 42.059 0.014 0.000 1.311 65 L HN 0.616 nan 8.230 nan 0.000 0.423 66 G N 1.056 109.910 108.800 0.091 0.000 2.566 66 G HA2 0.687 4.647 3.960 0.000 0.000 0.311 66 G HA3 0.687 4.647 3.960 0.000 0.000 0.311 66 G C -1.069 173.741 174.900 -0.150 0.000 1.322 66 G CA -0.479 44.687 45.100 0.110 0.000 0.969 66 G HN 0.498 nan 8.290 nan 0.000 0.490 67 V N -0.722 118.830 119.914 -0.603 0.000 3.160 67 V HA 0.876 4.997 4.120 0.000 0.000 0.310 67 V C 0.974 176.317 176.094 -1.251 0.000 1.181 67 V CA -0.167 61.772 62.300 -0.602 0.000 1.047 67 V CB 1.244 32.890 31.823 -0.294 0.000 1.068 67 V HN 1.089 nan 8.190 nan 0.000 0.441 68 A N 1.184 123.544 122.820 -0.767 0.000 1.854 68 A HA 0.278 4.598 4.320 0.000 0.000 0.214 68 A C 1.316 178.547 177.584 -0.589 0.000 1.192 68 A CA 1.753 53.303 52.037 -0.812 0.000 0.611 68 A CB -0.682 18.170 19.000 -0.246 0.000 0.832 68 A HN 1.558 nan 8.150 nan 0.000 0.442 69 T N -4.622 109.740 114.554 -0.320 0.000 2.932 69 T HA 0.493 4.844 4.350 0.000 0.000 0.289 69 T C 0.796 175.454 174.700 -0.070 0.000 1.039 69 T CA -0.078 61.926 62.100 -0.160 0.000 1.024 69 T CB 1.625 70.444 68.868 -0.081 0.000 1.090 69 T HN 0.027 nan 8.240 nan 0.000 0.496 70 V N 1.289 121.238 119.914 0.057 0.000 2.490 70 V HA -0.139 3.981 4.120 0.000 0.000 0.250 70 V C 2.336 178.445 176.094 0.025 0.000 1.061 70 V CA 1.973 64.322 62.300 0.082 0.000 1.064 70 V CB -0.797 31.118 31.823 0.154 0.000 0.670 70 V HN 0.883 nan 8.190 nan 0.000 0.461 71 D N 0.018 120.423 120.400 0.009 0.000 2.123 71 D HA -0.173 4.468 4.640 0.000 0.000 0.196 71 D C 2.243 178.537 176.300 -0.010 0.000 0.992 71 D CA 1.371 55.370 54.000 -0.002 0.000 0.833 71 D CB -0.153 40.643 40.800 -0.007 0.000 0.954 71 D HN 0.565 nan 8.370 nan 0.000 0.455 72 E N 0.401 120.583 120.200 -0.029 0.000 2.110 72 E HA -0.129 4.221 4.350 0.000 0.000 0.193 72 E C 2.065 178.648 176.600 -0.028 0.000 0.988 72 E CA 0.991 57.371 56.400 -0.032 0.000 0.804 72 E CB -0.029 29.635 29.700 -0.061 0.000 0.745 72 E HN 0.204 nan 8.360 nan 0.000 0.458 73 A N 1.144 123.943 122.820 -0.034 0.000 1.873 73 A HA -0.133 4.187 4.320 0.000 0.000 0.215 73 A C 2.178 179.761 177.584 -0.001 0.000 1.186 73 A CA 0.933 52.958 52.037 -0.020 0.000 0.616 73 A CB -0.597 18.395 19.000 -0.014 0.000 0.823 73 A HN 0.134 nan 8.150 nan 0.000 0.442 74 L N -0.742 120.485 121.223 0.006 0.000 2.131 74 L HA -0.201 4.139 4.340 0.000 0.000 0.210 74 L C 3.014 179.888 176.870 0.007 0.000 1.092 74 L CA 0.927 55.773 54.840 0.011 0.000 0.759 74 L CB -0.484 41.583 42.059 0.014 0.000 0.903 74 L HN 0.463 nan 8.230 nan 0.000 0.435 75 A N 0.001 122.824 122.820 0.004 0.000 1.969 75 A HA -0.114 4.206 4.320 0.000 0.000 0.218 75 A C 2.225 179.813 177.584 0.007 0.000 1.169 75 A CA 1.139 53.180 52.037 0.007 0.000 0.635 75 A CB -0.464 18.542 19.000 0.009 0.000 0.810 75 A HN 0.350 nan 8.150 nan 0.000 0.445 76 L N -1.076 120.150 121.223 0.005 0.000 2.056 76 L HA -0.138 4.202 4.340 0.000 0.000 0.207 76 L C 2.817 179.689 176.870 0.003 0.000 1.078 76 L CA 0.903 55.746 54.840 0.005 0.000 0.749 76 L CB -0.445 41.616 42.059 0.003 0.000 0.901 76 L HN 0.249 nan 8.230 nan 0.000 0.433 77 R N 0.253 120.756 120.500 0.005 0.000 2.091 77 R HA -0.125 4.215 4.340 0.000 0.000 0.238 77 R C 2.275 178.578 176.300 0.005 0.000 1.136 77 R CA 1.548 57.652 56.100 0.006 0.000 0.959 77 R CB -0.822 29.484 30.300 0.010 0.000 0.856 77 R HN 0.370 nan 8.270 nan 0.000 0.437 78 A N 1.032 123.855 122.820 0.006 0.000 2.015 78 A HA -0.121 4.199 4.320 0.000 0.000 0.219 78 A C 1.183 178.769 177.584 0.002 0.000 1.163 78 A CA 1.337 53.377 52.037 0.005 0.000 0.646 78 A CB -0.133 18.870 19.000 0.006 0.000 0.806 78 A HN 0.106 nan 8.150 nan 0.000 0.448 79 D N -1.266 119.135 120.400 0.001 0.000 2.319 79 D HA 0.301 4.941 4.640 0.000 0.000 0.230 79 D C 1.344 177.640 176.300 -0.006 0.000 1.094 79 D CA 1.054 55.053 54.000 -0.003 0.000 0.856 79 D CB 0.079 40.877 40.800 -0.003 0.000 0.915 79 D HN 0.546 nan 8.370 nan 0.000 0.517 80 G N 0.328 109.126 108.800 -0.003 0.000 2.175 80 G HA2 -0.241 3.719 3.960 0.000 0.000 0.244 80 G HA3 -0.241 3.719 3.960 0.000 0.000 0.244 80 G C 0.371 175.268 174.900 -0.005 0.000 0.982 80 G CA -0.334 44.763 45.100 -0.005 0.000 0.641 80 G HN 0.298 nan 8.290 nan 0.000 0.527 81 I N 2.502 123.070 120.570 -0.004 0.000 2.496 81 I HA 0.257 4.428 4.170 0.000 0.000 0.285 81 I C 1.716 177.834 176.117 0.001 0.000 1.080 81 I CA 1.195 62.494 61.300 -0.003 0.000 1.404 81 I CB 0.945 38.944 38.000 -0.002 0.000 1.403 81 I HN 0.298 nan 8.210 nan 0.000 0.539 82 T N 1.401 115.956 114.554 0.001 0.000 3.010 82 T HA 0.325 4.675 4.350 0.000 0.000 0.257 82 T C 0.807 175.511 174.700 0.006 0.000 1.020 82 T CA -0.189 61.913 62.100 0.004 0.000 0.938 82 T CB 0.353 69.223 68.868 0.004 0.000 1.049 82 T HN 0.605 nan 8.240 nan 0.000 0.522 83 A N 2.913 125.736 122.820 0.004 0.000 2.429 83 A HA 0.558 4.879 4.320 0.000 0.000 0.242 83 A C -2.347 175.244 177.584 0.011 0.000 1.088 83 A CA -1.216 50.825 52.037 0.006 0.000 0.784 83 A CB -0.441 18.560 19.000 0.002 0.000 1.038 83 A HN 0.277 nan 8.150 nan 0.000 0.501 84 P HA 0.333 nan 4.420 nan 0.000 0.268 84 P C -1.016 176.298 177.300 0.024 0.000 1.204 84 P CA 0.103 63.217 63.100 0.023 0.000 0.768 84 P CB 0.652 32.368 31.700 0.027 0.000 0.842 85 V N 4.065 123.995 119.914 0.028 0.000 2.638 85 V HA 0.414 4.534 4.120 0.000 0.000 0.306 85 V C -0.418 175.698 176.094 0.038 0.000 1.052 85 V CA -0.701 61.613 62.300 0.023 0.000 0.885 85 V CB 1.994 33.820 31.823 0.005 0.000 0.999 85 V HN 0.345 nan 8.190 nan 0.000 0.424 86 L N 4.154 125.405 121.223 0.047 0.000 2.341 86 L HA 0.981 5.321 4.340 0.000 0.000 0.278 86 L C -0.060 176.792 176.870 -0.029 0.000 1.005 86 L CA -0.192 54.707 54.840 0.099 0.000 0.818 86 L CB 1.539 43.738 42.059 0.234 0.000 1.259 86 L HN 0.824 nan 8.230 nan 0.000 0.418 87 A N 4.001 126.826 122.820 0.009 0.000 2.355 87 A HA 0.658 4.978 4.320 0.000 0.000 0.317 87 A C -0.830 176.765 177.584 0.018 0.000 1.094 87 A CA -0.335 51.598 52.037 -0.174 0.000 0.764 87 A CB 0.566 19.550 19.000 -0.027 0.000 1.230 87 A HN 1.006 nan 8.150 nan 0.000 0.448 88 W N 1.667 122.918 121.300 -0.081 0.000 2.534 88 W HA 0.558 5.218 4.660 0.000 0.000 0.339 88 W C -0.830 175.427 176.519 -0.437 0.000 0.961 88 W CA -0.697 56.543 57.345 -0.176 0.000 1.545 88 W CB -0.153 29.259 29.460 -0.079 0.000 1.104 88 W HN 0.444 nan 8.180 nan 0.000 0.538 89 L N 3.370 124.311 121.223 -0.471 0.000 2.372 89 L HA 0.557 4.897 4.340 0.000 0.000 0.274 89 L C -1.222 175.382 176.870 -0.444 0.000 0.988 89 L CA -0.898 53.753 54.840 -0.315 0.000 0.833 89 L CB 0.563 42.594 42.059 -0.047 0.000 1.236 89 L HN 0.078 nan 8.230 nan 0.000 0.410 90 H N 5.059 124.192 119.070 0.105 0.000 2.658 90 H HA 0.521 5.077 4.556 0.000 0.000 0.337 90 H C -2.490 172.856 175.328 0.029 0.000 1.009 90 H CA -1.747 54.344 56.048 0.070 0.000 1.231 90 H CB 1.441 31.303 29.762 0.166 0.000 1.508 90 H HN 0.509 nan 8.280 nan 0.000 0.517 91 P HA 0.135 nan 4.420 nan 0.000 0.274 91 P C -2.595 174.716 177.300 0.018 0.000 1.231 91 P CA -1.386 61.736 63.100 0.037 0.000 0.790 91 P CB 0.285 31.988 31.700 0.006 0.000 0.951 92 P HA -0.000 nan 4.420 nan 0.000 0.264 92 P C 0.997 178.280 177.300 -0.028 0.000 1.183 92 P CA 1.056 64.159 63.100 0.005 0.000 0.763 92 P CB -0.070 31.640 31.700 0.016 0.000 0.807 93 G N 2.440 111.210 108.800 -0.049 0.000 2.195 93 G HA2 -0.281 3.679 3.960 0.000 0.000 0.246 93 G HA3 -0.281 3.679 3.960 0.000 0.000 0.246 93 G C 0.210 175.037 174.900 -0.122 0.000 0.984 93 G CA -0.033 45.030 45.100 -0.062 0.000 0.633 93 G HN 0.640 nan 8.290 nan 0.000 0.525 94 I N 1.786 122.235 120.570 -0.202 0.000 2.775 94 I HA 0.304 4.474 4.170 0.000 0.000 0.290 94 I C 0.095 175.966 176.117 -0.409 0.000 1.203 94 I CA -0.058 61.043 61.300 -0.330 0.000 1.433 94 I CB 0.553 38.224 38.000 -0.548 0.000 1.354 94 I HN 0.139 nan 8.210 nan 0.000 0.579 95 D N 6.743 126.976 120.400 -0.278 0.000 2.347 95 D HA 0.101 4.741 4.640 0.000 0.000 0.235 95 D C 0.313 176.497 176.300 -0.194 0.000 1.149 95 D CA 0.002 53.888 54.000 -0.191 0.000 0.850 95 D CB 0.448 41.203 40.800 -0.076 0.000 1.061 95 D HN 0.370 nan 8.370 nan 0.000 0.487 96 F N 2.070 122.006 119.950 -0.023 0.000 2.748 96 F HA 0.190 4.718 4.527 0.000 0.000 0.299 96 F C 2.328 178.117 175.800 -0.018 0.000 1.154 96 F CA 0.249 58.223 58.000 -0.042 0.000 1.446 96 F CB -0.218 38.741 39.000 -0.069 0.000 1.112 96 F HN 0.531 nan 8.300 nan 0.000 0.584 97 G N 1.458 110.340 108.800 0.137 0.000 2.514 97 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 97 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 97 G C -0.488 174.455 174.900 0.073 0.000 1.198 97 G CA 0.772 45.928 45.100 0.092 0.000 0.780 97 G HN 0.213 nan 8.290 nan 0.000 0.565 98 P HA -0.043 nan 4.420 nan 0.000 0.218 98 P C 2.133 179.468 177.300 0.058 0.000 1.148 98 P CA 1.870 64.997 63.100 0.044 0.000 0.822 98 P CB -0.129 31.588 31.700 0.029 0.000 0.784 99 A N -0.494 122.380 122.820 0.090 0.000 1.877 99 A HA -0.174 4.146 4.320 0.000 0.000 0.216 99 A C 2.187 179.811 177.584 0.066 0.000 1.186 99 A CA 1.451 53.545 52.037 0.094 0.000 0.620 99 A CB -1.634 17.461 19.000 0.160 0.000 0.822 99 A HN 0.105 nan 8.150 nan 0.000 0.443 100 L N -0.619 120.646 121.223 0.068 0.000 2.042 100 L HA -0.200 4.140 4.340 0.000 0.000 0.210 100 L C 2.502 179.392 176.870 0.034 0.000 1.076 100 L CA 1.211 56.075 54.840 0.042 0.000 0.749 100 L CB -0.653 41.432 42.059 0.042 0.000 0.893 100 L HN 0.367 nan 8.230 nan 0.000 0.432 101 L N -0.348 120.897 121.223 0.037 0.000 2.201 101 L HA -0.108 4.232 4.340 0.000 0.000 0.212 101 L C 2.214 179.099 176.870 0.025 0.000 1.105 101 L CA 0.759 55.616 54.840 0.028 0.000 0.775 101 L CB -0.490 41.585 42.059 0.027 0.000 0.913 101 L HN 0.230 nan 8.230 nan 0.000 0.440 102 A N -1.439 121.398 122.820 0.028 0.000 2.460 102 A HA 0.053 4.373 4.320 0.000 0.000 0.258 102 A C 0.587 178.185 177.584 0.024 0.000 1.300 102 A CA 0.060 52.111 52.037 0.024 0.000 0.913 102 A CB -0.130 18.885 19.000 0.025 0.000 1.031 102 A HN 0.392 nan 8.150 nan 0.000 0.512 103 D N -1.071 119.343 120.400 0.025 0.000 2.772 103 D HA -0.134 4.506 4.640 0.000 0.000 0.233 103 D C -0.598 175.719 176.300 0.027 0.000 1.143 103 D CA 0.867 54.881 54.000 0.023 0.000 0.700 103 D CB -1.712 39.099 40.800 0.020 0.000 1.076 103 D HN 0.195 nan 8.370 nan 0.000 0.430 104 V N 1.525 121.459 119.914 0.033 0.000 2.407 104 V HA 0.252 4.372 4.120 0.000 0.000 0.278 104 V C 0.983 177.102 176.094 0.041 0.000 1.037 104 V CA -0.437 61.887 62.300 0.039 0.000 0.900 104 V CB 1.594 33.447 31.823 0.050 0.000 0.983 104 V HN 0.131 nan 8.190 nan 0.000 0.459 105 Q N 2.906 122.735 119.800 0.049 0.000 2.373 105 Q HA 0.499 4.839 4.340 0.000 0.000 0.255 105 Q C -0.852 175.193 176.000 0.074 0.000 0.980 105 Q CA -0.279 55.558 55.803 0.057 0.000 0.882 105 Q CB 1.609 30.397 28.738 0.084 0.000 1.249 105 Q HN 0.558 nan 8.270 nan 0.000 0.438 106 V N 1.481 121.418 119.914 0.039 0.000 2.444 106 V HA 0.521 4.641 4.120 0.000 0.000 0.294 106 V C -0.592 175.557 176.094 0.091 0.000 1.022 106 V CA -0.821 61.497 62.300 0.029 0.000 0.850 106 V CB 1.544 33.204 31.823 -0.271 0.000 0.992 106 V HN 0.846 nan 8.190 nan 0.000 0.426 107 A N 5.207 128.186 122.820 0.266 0.000 2.276 107 A HA 0.742 5.062 4.320 0.000 0.000 0.300 107 A C -0.117 177.636 177.584 0.282 0.000 1.235 107 A CA -0.408 51.780 52.037 0.251 0.000 0.867 107 A CB 0.759 19.940 19.000 0.302 0.000 1.137 107 A HN 1.228 nan 8.150 nan 0.000 0.527 108 V N 1.550 121.549 119.914 0.141 0.000 2.532 108 V HA 0.740 4.860 4.120 0.000 0.000 0.295 108 V C 0.490 176.664 176.094 0.133 0.000 1.041 108 V CA 0.205 62.585 62.300 0.133 0.000 0.926 108 V CB 1.387 33.227 31.823 0.029 0.000 0.992 108 V HN 1.064 nan 8.190 nan 0.000 0.457 109 S N 0.719 116.509 115.700 0.151 0.000 2.749 109 S HA 0.511 4.981 4.470 0.000 0.000 0.246 109 S C 0.321 174.984 174.600 0.105 0.000 1.023 109 S CA 0.208 58.471 58.200 0.104 0.000 1.012 109 S CB -0.475 62.779 63.200 0.089 0.000 0.942 109 S HN 1.733 nan 8.310 nan 0.000 0.531 110 S N -0.084 115.683 115.700 0.112 0.000 2.587 110 S HA 0.548 5.018 4.470 0.000 0.000 0.269 110 S C 0.102 174.752 174.600 0.083 0.000 1.154 110 S CA -0.794 57.466 58.200 0.100 0.000 0.824 110 S CB 0.681 63.937 63.200 0.094 0.000 1.118 110 S HN 0.076 nan 8.310 nan 0.000 0.462 111 L N 1.731 122.996 121.223 0.070 0.000 2.046 111 L HA 0.151 4.491 4.340 0.000 0.000 0.208 111 L C 2.752 179.640 176.870 0.030 0.000 1.077 111 L CA 2.281 57.147 54.840 0.043 0.000 0.747 111 L CB -0.966 41.115 42.059 0.037 0.000 0.896 111 L HN 0.942 nan 8.230 nan 0.000 0.432 112 R N -1.018 119.509 120.500 0.045 0.000 2.091 112 R HA -0.220 4.120 4.340 0.000 0.000 0.238 112 R C 2.325 178.659 176.300 0.057 0.000 1.136 112 R CA 1.950 58.075 56.100 0.042 0.000 0.959 112 R CB -0.278 30.055 30.300 0.055 0.000 0.856 112 R HN 0.522 nan 8.270 nan 0.000 0.437 113 Q N -0.014 119.843 119.800 0.096 0.000 2.084 113 Q HA -0.183 4.158 4.340 0.000 0.000 0.202 113 Q C 2.140 178.173 176.000 0.056 0.000 0.978 113 Q CA 1.568 57.463 55.803 0.153 0.000 0.844 113 Q CB -0.095 28.757 28.738 0.189 0.000 0.898 113 Q HN 0.298 nan 8.270 nan 0.000 0.426 114 L N 0.963 122.187 121.223 0.001 0.000 2.056 114 L HA -0.182 4.158 4.340 0.000 0.000 0.207 114 L C 1.457 178.272 176.870 -0.092 0.000 1.078 114 L CA 1.860 56.664 54.840 -0.061 0.000 0.749 114 L CB -0.365 41.675 42.059 -0.033 0.000 0.901 114 L HN 0.114 nan 8.230 nan 0.000 0.433 115 D N -0.415 119.926 120.400 -0.099 0.000 2.144 115 D HA -0.166 4.474 4.640 0.000 0.000 0.199 115 D C 2.046 178.120 176.300 -0.377 0.000 0.984 115 D CA 1.081 54.937 54.000 -0.241 0.000 0.834 115 D CB 0.017 40.691 40.800 -0.209 0.000 0.955 115 D HN 0.431 nan 8.370 nan 0.000 0.465 116 E N 0.546 120.672 120.200 -0.122 0.000 2.077 116 E HA -0.148 4.202 4.350 0.000 0.000 0.193 116 E C 2.252 178.941 176.600 0.148 0.000 0.989 116 E CA 0.268 56.695 56.400 0.044 0.000 0.800 116 E CB -0.402 29.427 29.700 0.215 0.000 0.746 116 E HN 0.220 nan 8.360 nan 0.000 0.452 117 L N 0.906 122.169 121.223 0.066 0.000 2.046 117 L HA -0.137 4.203 4.340 0.000 0.000 0.208 117 L C 2.290 179.134 176.870 -0.044 0.000 1.077 117 L CA 1.348 56.130 54.840 -0.097 0.000 0.747 117 L CB -0.488 41.304 42.059 -0.445 0.000 0.896 117 L HN 0.064 nan 8.230 nan 0.000 0.432 118 L N -1.590 119.586 121.223 -0.078 0.000 2.093 118 L HA -0.213 4.127 4.340 0.000 0.000 0.208 118 L C 2.635 179.551 176.870 0.077 0.000 1.085 118 L CA 0.781 55.603 54.840 -0.031 0.000 0.755 118 L CB -0.989 41.032 42.059 -0.062 0.000 0.904 118 L HN 0.359 nan 8.230 nan 0.000 0.435 119 H N 0.159 119.254 119.070 0.042 0.000 2.319 119 H HA -0.124 4.432 4.556 0.000 0.000 0.299 119 H C 2.322 177.678 175.328 0.048 0.000 1.092 119 H CA 1.329 57.403 56.048 0.043 0.000 1.302 119 H CB -0.521 29.271 29.762 0.050 0.000 1.373 119 H HN 0.335 nan 8.280 nan 0.000 0.497 120 A N 0.586 123.526 122.820 0.200 0.000 1.940 120 A HA -0.132 4.188 4.320 0.000 0.000 0.219 120 A C 2.851 180.491 177.584 0.092 0.000 1.176 120 A CA 1.727 53.850 52.037 0.145 0.000 0.631 120 A CB -0.889 18.226 19.000 0.192 0.000 0.814 120 A HN 0.244 nan 8.150 nan 0.000 0.446 121 V N -0.162 119.794 119.914 0.069 0.000 2.295 121 V HA -0.219 3.901 4.120 0.000 0.000 0.246 121 V C 2.768 178.888 176.094 0.045 0.000 1.049 121 V CA 2.072 64.397 62.300 0.040 0.000 1.024 121 V CB -0.735 31.099 31.823 0.018 0.000 0.648 121 V HN 0.448 nan 8.190 nan 0.000 0.447 122 R N 0.266 120.803 120.500 0.061 0.000 2.096 122 R HA -0.122 4.218 4.340 0.000 0.000 0.235 122 R C 2.433 178.756 176.300 0.039 0.000 1.127 122 R CA 1.850 57.980 56.100 0.049 0.000 0.968 122 R CB -0.735 29.601 30.300 0.060 0.000 0.861 122 R HN 0.680 nan 8.270 nan 0.000 0.440 123 R N 0.137 120.666 120.500 0.048 0.000 2.119 123 R HA -0.043 4.297 4.340 0.000 0.000 0.222 123 R C 1.566 177.885 176.300 0.031 0.000 1.088 123 R CA 1.838 57.958 56.100 0.034 0.000 0.984 123 R CB -0.313 30.010 30.300 0.038 0.000 0.884 123 R HN 0.198 nan 8.270 nan 0.000 0.447 124 T N -3.851 110.725 114.554 0.037 0.000 3.057 124 T HA 0.231 4.581 4.350 0.000 0.000 0.254 124 T C 1.441 176.155 174.700 0.024 0.000 1.094 124 T CA 0.387 62.505 62.100 0.030 0.000 1.088 124 T CB 0.353 69.243 68.868 0.037 0.000 0.934 124 T HN 0.453 nan 8.240 nan 0.000 0.497 125 G N 1.976 110.790 108.800 0.023 0.000 2.153 125 G HA2 -0.227 3.733 3.960 0.000 0.000 0.252 125 G HA3 -0.227 3.733 3.960 0.000 0.000 0.252 125 G C 0.014 174.923 174.900 0.016 0.000 0.994 125 G CA -0.182 44.928 45.100 0.017 0.000 0.698 125 G HN 0.603 nan 8.290 nan 0.000 0.521 126 R N 0.679 121.190 120.500 0.018 0.000 2.360 126 R HA 0.422 4.762 4.340 0.000 0.000 0.318 126 R C 0.152 176.458 176.300 0.010 0.000 0.950 126 R CA -0.442 55.666 56.100 0.014 0.000 0.837 126 R CB 0.948 31.259 30.300 0.018 0.000 1.165 126 R HN 0.157 nan 8.270 nan 0.000 0.458 127 T N 2.175 116.732 114.554 0.005 0.000 2.891 127 T HA 0.042 4.393 4.350 0.000 0.000 0.296 127 T C 0.384 175.081 174.700 -0.006 0.000 1.025 127 T CA 0.472 62.572 62.100 -0.001 0.000 1.149 127 T CB 0.395 69.263 68.868 0.000 0.000 1.007 127 T HN 0.571 nan 8.240 nan 0.000 0.528 128 A N 3.610 126.419 122.820 -0.018 0.000 2.301 128 A HA 0.514 4.834 4.320 0.000 0.000 0.298 128 A C 0.664 178.237 177.584 -0.018 0.000 1.185 128 A CA -0.669 51.348 52.037 -0.033 0.000 0.830 128 A CB 0.443 19.399 19.000 -0.074 0.000 1.112 128 A HN 0.728 nan 8.150 nan 0.000 0.508 129 T N 2.651 117.202 114.554 -0.005 0.000 2.794 129 T HA 0.364 4.714 4.350 0.000 0.000 0.304 129 T C -0.164 174.554 174.700 0.030 0.000 0.973 129 T CA 0.076 62.189 62.100 0.022 0.000 0.972 129 T CB 0.098 68.987 68.868 0.035 0.000 0.952 129 T HN 0.582 nan 8.240 nan 0.000 0.509 130 V N 4.093 124.031 119.914 0.040 0.000 2.732 130 V HA 0.699 4.819 4.120 0.000 0.000 0.310 130 V C -0.078 176.097 176.094 0.135 0.000 1.053 130 V CA -0.213 62.120 62.300 0.056 0.000 0.957 130 V CB 2.205 34.038 31.823 0.018 0.000 1.018 130 V HN 0.833 nan 8.190 nan 0.000 0.452 131 T N 4.519 119.153 114.554 0.133 0.000 2.863 131 T HA 0.592 4.942 4.350 0.000 0.000 0.285 131 T C -0.867 173.892 174.700 0.099 0.000 1.009 131 T CA -0.319 61.864 62.100 0.140 0.000 0.989 131 T CB 1.666 70.625 68.868 0.153 0.000 1.004 131 T HN 0.526 nan 8.240 nan 0.000 0.455 132 V N 3.090 123.022 119.914 0.031 0.000 2.435 132 V HA 0.466 4.586 4.120 0.000 0.000 0.290 132 V C 0.143 176.168 176.094 -0.115 0.000 1.030 132 V CA -0.848 61.468 62.300 0.028 0.000 0.881 132 V CB 1.591 33.514 31.823 0.165 0.000 0.983 132 V HN 0.704 nan 8.190 nan 0.000 0.445 133 K N 4.170 124.524 120.400 -0.077 0.000 2.264 133 K HA 0.605 4.925 4.320 0.000 0.000 0.277 133 K C -0.638 175.825 176.600 -0.228 0.000 1.067 133 K CA -0.431 55.758 56.287 -0.164 0.000 0.900 133 K CB 1.239 33.688 32.500 -0.085 0.000 1.124 133 K HN 0.666 nan 8.250 nan 0.000 0.469 134 V N 0.320 119.980 119.914 -0.424 0.000 2.732 134 V HA 0.431 4.551 4.120 0.000 0.000 0.310 134 V C -0.469 175.341 176.094 -0.474 0.000 1.053 134 V CA -1.017 60.886 62.300 -0.661 0.000 0.957 134 V CB 1.706 32.535 31.823 -1.657 0.000 1.018 134 V HN 0.700 nan 8.190 nan 0.000 0.452 135 D N 2.533 122.771 120.400 -0.270 0.000 2.316 135 D HA 0.379 5.019 4.640 0.000 0.000 0.245 135 D C 1.021 177.354 176.300 0.054 0.000 1.171 135 D CA 0.406 54.362 54.000 -0.074 0.000 0.856 135 D CB 1.570 42.384 40.800 0.022 0.000 1.090 135 D HN 0.939 nan 8.370 nan 0.000 0.476 136 T N 0.278 114.832 114.554 0.001 0.000 3.085 136 T HA 0.452 4.802 4.350 0.000 0.000 0.264 136 T C 1.144 175.868 174.700 0.039 0.000 1.019 136 T CA 0.198 62.352 62.100 0.089 0.000 0.910 136 T CB 0.629 69.516 68.868 0.031 0.000 1.059 136 T HN 0.452 nan 8.240 nan 0.000 0.542 137 G N 0.680 109.486 108.800 0.011 0.000 3.609 137 G HA2 -0.038 3.922 3.960 0.000 0.000 0.219 137 G HA3 -0.038 3.922 3.960 0.000 0.000 0.219 137 G C 0.743 175.633 174.900 -0.016 0.000 0.951 137 G CA 0.018 45.120 45.100 0.005 0.000 0.867 137 G HN 0.339 nan 8.290 nan 0.000 0.478 138 L N 0.489 121.688 121.223 -0.039 0.000 2.191 138 L HA 0.017 4.357 4.340 0.000 0.000 0.212 138 L C 1.655 178.507 176.870 -0.030 0.000 1.103 138 L CA 1.356 56.168 54.840 -0.048 0.000 0.769 138 L CB -0.184 41.846 42.059 -0.049 0.000 0.908 138 L HN 0.380 nan 8.230 nan 0.000 0.438 139 N N -0.338 118.353 118.700 -0.015 0.000 2.725 139 N HA -0.209 4.531 4.740 0.000 0.000 0.249 139 N C 0.678 176.185 175.510 -0.005 0.000 1.103 139 N CA 0.691 53.739 53.050 -0.004 0.000 0.707 139 N CB -0.290 38.196 38.487 -0.003 0.000 1.043 139 N HN 0.393 nan 8.380 nan 0.000 0.553 140 R N -0.143 120.351 120.500 -0.009 0.000 1.728 140 R HA 0.231 4.571 4.340 0.000 0.000 0.126 140 R C 0.491 176.794 176.300 0.004 0.000 2.075 140 R CA 0.153 56.250 56.100 -0.004 0.000 1.805 140 R CB -0.245 30.052 30.300 -0.006 0.000 1.352 140 R HN 0.370 nan 8.270 nan 0.000 0.493 141 N N 0.797 119.497 118.700 0.002 0.000 2.558 141 N HA 0.344 5.084 4.740 0.000 0.000 0.242 141 N C -0.873 174.629 175.510 -0.012 0.000 0.979 141 N CA -0.301 52.757 53.050 0.012 0.000 0.931 141 N CB 1.918 40.424 38.487 0.031 0.000 1.122 141 N HN 0.538 nan 8.380 nan 0.000 0.508 142 G N 0.160 108.953 108.800 -0.012 0.000 2.667 142 G HA2 0.388 4.348 3.960 0.000 0.000 0.294 142 G HA3 0.388 4.348 3.960 0.000 0.000 0.294 142 G C -1.177 173.718 174.900 -0.008 0.000 1.467 142 G CA -0.716 44.355 45.100 -0.049 0.000 0.852 142 G HN 0.280 nan 8.290 nan 0.000 0.521 143 V N 0.472 120.382 119.914 -0.005 0.000 2.740 143 V HA 0.555 4.675 4.120 0.000 0.000 0.303 143 V C 1.402 177.576 176.094 0.133 0.000 1.054 143 V CA 0.518 62.872 62.300 0.090 0.000 1.106 143 V CB 1.044 32.983 31.823 0.193 0.000 0.957 143 V HN 1.048 nan 8.190 nan 0.000 0.486 144 G N 3.362 112.278 108.800 0.194 0.000 2.477 144 G HA2 0.496 4.456 3.960 0.000 0.000 0.304 144 G HA3 0.496 4.456 3.960 0.000 0.000 0.304 144 G C -1.449 173.619 174.900 0.281 0.000 1.175 144 G CA -1.124 44.119 45.100 0.238 0.000 0.907 144 G HN 0.572 nan 8.290 nan 0.000 0.509 145 P HA -0.145 nan 4.420 nan 0.000 0.216 145 P C 1.820 179.157 177.300 0.061 0.000 1.150 145 P CA 1.810 64.851 63.100 -0.098 0.000 0.837 145 P CB 0.188 31.718 31.700 -0.284 0.000 0.786 146 A N -0.513 122.347 122.820 0.068 0.000 2.014 146 A HA -0.160 4.161 4.320 0.000 0.000 0.218 146 A C 2.129 179.777 177.584 0.107 0.000 1.163 146 A CA 1.425 53.503 52.037 0.068 0.000 0.652 146 A CB -0.934 18.094 19.000 0.047 0.000 0.808 146 A HN 0.125 nan 8.150 nan 0.000 0.449 147 Q N -2.081 117.811 119.800 0.153 0.000 2.408 147 Q HA 0.211 4.551 4.340 0.000 0.000 0.205 147 Q C 1.384 177.524 176.000 0.233 0.000 0.919 147 Q CA 0.177 56.075 55.803 0.158 0.000 0.932 147 Q CB -0.341 28.485 28.738 0.146 0.000 1.058 147 Q HN 0.624 nan 8.270 nan 0.000 0.517 148 F N 1.874 121.902 119.950 0.130 0.000 2.095 148 F HA -0.087 4.440 4.527 0.000 0.000 0.298 148 F C -1.032 174.834 175.800 0.111 0.000 1.104 148 F CA 0.706 58.807 58.000 0.169 0.000 1.232 148 F CB -1.164 38.009 39.000 0.289 0.000 0.987 148 F HN 0.095 nan 8.300 nan 0.000 0.475 149 P HA -0.218 nan 4.420 nan 0.000 0.215 149 P C 1.623 178.879 177.300 -0.074 0.000 1.157 149 P CA 2.623 65.686 63.100 -0.061 0.000 0.874 149 P CB -0.372 31.330 31.700 0.004 0.000 0.790 150 A N -1.125 121.684 122.820 -0.018 0.000 1.933 150 A HA -0.221 4.099 4.320 0.000 0.000 0.218 150 A C 2.278 179.837 177.584 -0.041 0.000 1.175 150 A CA 2.194 54.220 52.037 -0.019 0.000 0.628 150 A CB -1.471 17.537 19.000 0.012 0.000 0.814 150 A HN 0.148 nan 8.150 nan 0.000 0.444 151 M N -0.332 119.244 119.600 -0.040 0.000 2.086 151 M HA -0.078 4.402 4.480 0.000 0.000 0.261 151 M C 1.868 178.090 176.300 -0.131 0.000 1.067 151 M CA 1.657 56.928 55.300 -0.048 0.000 1.116 151 M CB -0.453 32.162 32.600 0.025 0.000 1.348 151 M HN 0.367 nan 8.290 nan 0.000 0.407 152 L N -0.903 120.157 121.223 -0.272 0.000 2.042 152 L HA -0.252 4.089 4.340 0.000 0.000 0.210 152 L C 2.305 179.072 176.870 -0.172 0.000 1.076 152 L CA 1.853 56.519 54.840 -0.291 0.000 0.749 152 L CB -1.213 40.610 42.059 -0.392 0.000 0.893 152 L HN 0.371 nan 8.230 nan 0.000 0.432 153 T N -0.257 114.219 114.554 -0.131 0.000 2.674 153 T HA -0.197 4.153 4.350 0.000 0.000 0.265 153 T C 1.971 176.628 174.700 -0.072 0.000 1.039 153 T CA 1.419 63.466 62.100 -0.087 0.000 1.150 153 T CB -0.303 68.528 68.868 -0.061 0.000 0.864 153 T HN 0.461 nan 8.240 nan 0.000 0.427 154 A N 0.843 123.626 122.820 -0.062 0.000 1.972 154 A HA 0.021 4.341 4.320 0.000 0.000 0.219 154 A C 2.262 179.811 177.584 -0.058 0.000 1.169 154 A CA 1.174 53.182 52.037 -0.048 0.000 0.635 154 A CB -0.770 18.209 19.000 -0.035 0.000 0.810 154 A HN 0.488 nan 8.150 nan 0.000 0.446 155 L N -1.666 119.510 121.223 -0.077 0.000 2.179 155 L HA -0.055 4.285 4.340 0.000 0.000 0.208 155 L C 2.749 179.560 176.870 -0.098 0.000 1.096 155 L CA 1.038 55.828 54.840 -0.083 0.000 0.779 155 L CB -0.336 41.666 42.059 -0.095 0.000 0.922 155 L HN 0.374 nan 8.230 nan 0.000 0.443 156 R N -0.123 120.312 120.500 -0.108 0.000 2.066 156 R HA -0.174 4.166 4.340 0.000 0.000 0.232 156 R C 2.331 178.589 176.300 -0.069 0.000 1.131 156 R CA 1.509 57.549 56.100 -0.099 0.000 0.955 156 R CB -0.055 30.186 30.300 -0.098 0.000 0.851 156 R HN 0.378 nan 8.270 nan 0.000 0.432 157 Q N -0.553 119.213 119.800 -0.056 0.000 2.084 157 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 157 Q C 2.041 178.020 176.000 -0.036 0.000 0.978 157 Q CA 1.880 57.658 55.803 -0.040 0.000 0.844 157 Q CB -0.098 28.621 28.738 -0.031 0.000 0.898 157 Q HN 0.386 nan 8.270 nan 0.000 0.426 158 A N 0.554 123.351 122.820 -0.039 0.000 1.898 158 A HA -0.181 4.140 4.320 0.000 0.000 0.216 158 A C 2.017 179.579 177.584 -0.036 0.000 1.181 158 A CA 1.201 53.218 52.037 -0.033 0.000 0.620 158 A CB -0.504 18.474 19.000 -0.037 0.000 0.819 158 A HN 0.339 nan 8.150 nan 0.000 0.442 159 M N 0.048 119.618 119.600 -0.049 0.000 2.086 159 M HA -0.154 4.326 4.480 0.000 0.000 0.261 159 M C 2.326 178.601 176.300 -0.041 0.000 1.067 159 M CA 1.957 57.226 55.300 -0.051 0.000 1.116 159 M CB -0.905 31.648 32.600 -0.077 0.000 1.348 159 M HN 0.437 nan 8.290 nan 0.000 0.407 160 A N 0.396 123.191 122.820 -0.042 0.000 1.978 160 A HA -0.210 4.111 4.320 0.000 0.000 0.220 160 A C 1.726 179.296 177.584 -0.023 0.000 1.170 160 A CA 2.022 54.040 52.037 -0.033 0.000 0.636 160 A CB -0.835 18.146 19.000 -0.032 0.000 0.810 160 A HN 0.794 nan 8.150 nan 0.000 0.448 161 E N -0.864 119.324 120.200 -0.021 0.000 2.451 161 E HA 0.157 4.507 4.350 0.000 0.000 0.194 161 E C -0.646 175.947 176.600 -0.011 0.000 1.027 161 E CA 0.358 56.749 56.400 -0.013 0.000 0.914 161 E CB -0.141 29.553 29.700 -0.010 0.000 1.054 161 E HN 0.293 nan 8.360 nan 0.000 0.461 162 D N -0.265 120.126 120.400 -0.015 0.000 2.911 162 D HA -0.249 4.391 4.640 0.000 0.000 0.227 162 D C 0.753 177.047 176.300 -0.010 0.000 1.164 162 D CA 0.985 54.977 54.000 -0.012 0.000 0.782 162 D CB -1.385 39.410 40.800 -0.008 0.000 1.094 162 D HN 0.479 nan 8.370 nan 0.000 0.425 163 A N -0.768 122.045 122.820 -0.012 0.000 2.021 163 A HA 0.328 4.648 4.320 0.000 0.000 0.216 163 A C 1.088 178.662 177.584 -0.017 0.000 1.163 163 A CA 1.298 53.329 52.037 -0.010 0.000 0.676 163 A CB 0.452 19.447 19.000 -0.009 0.000 0.818 163 A HN 0.670 nan 8.150 nan 0.000 0.453 164 V N -3.379 116.522 119.914 -0.023 0.000 3.007 164 V HA 0.670 4.790 4.120 0.000 0.000 0.311 164 V C -0.637 175.445 176.094 -0.020 0.000 1.120 164 V CA -1.288 60.997 62.300 -0.024 0.000 0.980 164 V CB 1.742 33.546 31.823 -0.032 0.000 1.033 164 V HN 0.300 nan 8.190 nan 0.000 0.429 165 R N 3.252 123.748 120.500 -0.008 0.000 2.255 165 R HA 0.519 4.859 4.340 0.000 0.000 0.326 165 R C -1.157 175.153 176.300 0.016 0.000 0.986 165 R CA -0.837 55.264 56.100 0.002 0.000 0.847 165 R CB 1.367 31.675 30.300 0.014 0.000 1.111 165 R HN 0.799 nan 8.270 nan 0.000 0.452 166 L N 6.045 127.267 121.223 -0.001 0.000 2.387 166 L HA 0.127 4.467 4.340 0.000 0.000 0.267 166 L C 1.209 178.151 176.870 0.118 0.000 1.197 166 L CA 0.304 55.151 54.840 0.011 0.000 1.070 166 L CB 0.436 42.396 42.059 -0.165 0.000 1.349 166 L HN 0.712 nan 8.230 nan 0.000 0.422 167 R N 2.441 123.048 120.500 0.178 0.000 2.052 167 R HA 0.160 4.501 4.340 0.000 0.000 0.224 167 R C 0.700 177.168 176.300 0.279 0.000 1.149 167 R CA 1.211 57.426 56.100 0.190 0.000 0.962 167 R CB 0.033 30.421 30.300 0.147 0.000 0.856 167 R HN 0.501 nan 8.270 nan 0.000 0.433 168 G N -0.615 108.368 108.800 0.305 0.000 2.642 168 G HA2 0.538 4.498 3.960 0.000 0.000 0.293 168 G HA3 0.538 4.498 3.960 0.000 0.000 0.293 168 G C -2.008 172.792 174.900 -0.167 0.000 1.341 168 G CA -0.619 44.594 45.100 0.189 0.000 0.916 168 G HN 0.162 nan 8.290 nan 0.000 0.474 169 L N 1.281 122.202 121.223 -0.503 0.000 2.356 169 L HA 0.858 5.198 4.340 0.000 0.000 0.277 169 L C 0.000 176.566 176.870 -0.506 0.000 0.996 169 L CA -0.747 53.622 54.840 -0.786 0.000 0.822 169 L CB 1.489 42.857 42.059 -1.152 0.000 1.256 169 L HN 0.774 nan 8.230 nan 0.000 0.413 170 M N 2.763 122.097 119.600 -0.444 0.000 2.593 170 M HA 0.862 5.342 4.480 0.000 0.000 0.290 170 M C -1.124 174.924 176.300 -0.420 0.000 1.244 170 M CA -0.451 54.522 55.300 -0.546 0.000 0.857 170 M CB 2.244 34.427 32.600 -0.695 0.000 1.738 170 M HN 0.498 nan 8.290 nan 0.000 0.461 171 S N -0.562 114.777 115.700 -0.602 0.000 2.615 171 S HA 0.654 5.124 4.470 0.000 0.000 0.269 171 S C -2.168 172.196 174.600 -0.393 0.000 1.161 171 S CA -0.544 57.337 58.200 -0.531 0.000 0.817 171 S CB 1.814 64.620 63.200 -0.657 0.000 1.131 171 S HN 0.954 nan 8.310 nan 0.000 0.467 172 H N 1.555 120.388 119.070 -0.395 0.000 2.637 172 H HA 0.613 5.170 4.556 0.000 0.000 0.363 172 H C -0.552 174.647 175.328 -0.216 0.000 1.131 172 H CA -0.602 55.264 56.048 -0.304 0.000 1.183 172 H CB 1.079 30.672 29.762 -0.283 0.000 1.637 172 H HN 0.497 nan 8.280 nan 0.000 0.531 173 M N 4.235 123.555 119.600 -0.467 0.000 2.233 173 M HA 0.030 4.510 4.480 0.000 0.000 0.350 173 M C 1.117 177.229 176.300 -0.315 0.000 1.176 173 M CA -0.025 55.085 55.300 -0.316 0.000 1.150 173 M CB 1.177 33.640 32.600 -0.230 0.000 1.530 173 M HN 0.507 nan 8.290 nan 0.000 0.459 174 V N 3.295 123.129 119.914 -0.134 0.000 2.453 174 V HA -0.170 3.950 4.120 0.000 0.000 0.247 174 V C 0.183 176.152 176.094 -0.208 0.000 1.048 174 V CA 1.419 63.639 62.300 -0.132 0.000 1.049 174 V CB -0.405 31.404 31.823 -0.022 0.000 0.672 174 V HN 0.610 nan 8.190 nan 0.000 0.457 175 Y N -1.120 119.101 120.300 -0.131 0.000 2.323 175 Y HA 0.583 5.134 4.550 0.000 0.000 0.331 175 Y C 0.855 176.688 175.900 -0.112 0.000 1.092 175 Y CA -0.160 57.879 58.100 -0.101 0.000 1.150 175 Y CB 1.459 39.880 38.460 -0.065 0.000 1.200 175 Y HN -0.051 nan 8.280 nan 0.000 0.472 176 A N 1.256 124.089 122.820 0.022 0.000 2.169 176 A HA 0.049 4.369 4.320 0.000 0.000 0.210 176 A C 0.623 178.285 177.584 0.131 0.000 1.168 176 A CA 0.976 53.040 52.037 0.045 0.000 0.813 176 A CB -0.031 18.969 19.000 -0.000 0.000 0.861 176 A HN 0.762 nan 8.150 nan 0.000 0.481 177 D N -2.001 118.489 120.400 0.151 0.000 2.651 177 D HA 0.120 4.760 4.640 0.000 0.000 0.280 177 D C -0.352 176.022 176.300 0.123 0.000 1.496 177 D CA -0.070 54.014 54.000 0.140 0.000 0.792 177 D CB -0.040 40.841 40.800 0.134 0.000 1.144 177 D HN -0.044 nan 8.370 nan 0.000 0.470 178 K N 1.165 121.640 120.400 0.126 0.000 3.084 178 K HA 0.298 4.618 4.320 0.000 0.000 0.172 178 K C -2.168 174.369 176.600 -0.105 0.000 1.078 178 K CA -1.647 54.634 56.287 -0.010 0.000 0.875 178 K CB 1.667 34.114 32.500 -0.089 0.000 1.064 178 K HN -0.071 nan 8.250 nan 0.000 0.597 179 P HA -0.206 nan 4.420 nan 0.000 0.221 179 P C 0.639 177.895 177.300 -0.074 0.000 1.141 179 P CA 1.468 64.541 63.100 -0.045 0.000 0.794 179 P CB 0.270 31.959 31.700 -0.017 0.000 0.764 180 D N -2.606 117.735 120.400 -0.098 0.000 2.398 180 D HA -0.026 4.614 4.640 0.000 0.000 0.210 180 D C 0.189 176.410 176.300 -0.133 0.000 1.094 180 D CA -0.118 53.828 54.000 -0.090 0.000 0.839 180 D CB -0.628 40.135 40.800 -0.062 0.000 0.963 180 D HN 0.048 nan 8.370 nan 0.000 0.506 181 D N 1.054 121.316 120.400 -0.231 0.000 2.423 181 D HA -0.077 4.563 4.640 0.000 0.000 0.238 181 D C 1.323 177.506 176.300 -0.196 0.000 1.142 181 D CA 0.358 54.184 54.000 -0.290 0.000 0.884 181 D CB 1.462 41.886 40.800 -0.627 0.000 1.199 181 D HN 0.112 nan 8.370 nan 0.000 0.438 182 S N 3.146 118.767 115.700 -0.133 0.000 2.515 182 S HA -0.152 4.318 4.470 0.000 0.000 0.231 182 S C 2.122 176.690 174.600 -0.054 0.000 0.987 182 S CA 0.045 58.201 58.200 -0.073 0.000 0.936 182 S CB -0.217 62.955 63.200 -0.046 0.000 0.766 182 S HN 0.652 nan 8.310 nan 0.000 0.528 183 I N 2.334 122.862 120.570 -0.069 0.000 2.454 183 I HA -0.230 3.940 4.170 0.000 0.000 0.254 183 I C 1.695 177.812 176.117 0.000 0.000 1.156 183 I CA 1.501 62.798 61.300 -0.004 0.000 1.433 183 I CB -0.365 37.678 38.000 0.072 0.000 1.082 183 I HN 0.284 nan 8.210 nan 0.000 0.432 184 N N 0.926 119.605 118.700 -0.035 0.000 2.043 184 N HA -0.230 4.510 4.740 0.000 0.000 0.193 184 N C 1.291 176.807 175.510 0.010 0.000 1.037 184 N CA 2.122 55.163 53.050 -0.015 0.000 0.851 184 N CB -0.273 38.191 38.487 -0.038 0.000 1.027 184 N HN 0.434 nan 8.380 nan 0.000 0.422 185 D N -0.151 120.251 120.400 0.003 0.000 2.097 185 D HA -0.105 4.535 4.640 0.000 0.000 0.195 185 D C 1.904 178.231 176.300 0.045 0.000 0.989 185 D CA 0.797 54.811 54.000 0.024 0.000 0.827 185 D CB -0.233 40.571 40.800 0.007 0.000 0.966 185 D HN -0.006 nan 8.370 nan 0.000 0.456 186 V N 0.757 120.690 119.914 0.032 0.000 2.332 186 V HA -0.295 3.825 4.120 0.000 0.000 0.248 186 V C 2.340 178.472 176.094 0.064 0.000 1.055 186 V CA 1.731 64.056 62.300 0.042 0.000 1.038 186 V CB -0.580 31.261 31.823 0.030 0.000 0.651 186 V HN 0.259 nan 8.190 nan 0.000 0.450 187 Q N -0.325 119.506 119.800 0.052 0.000 2.084 187 Q HA -0.186 4.155 4.340 0.000 0.000 0.202 187 Q C 2.424 178.487 176.000 0.105 0.000 0.978 187 Q CA 1.753 57.586 55.803 0.049 0.000 0.844 187 Q CB -0.396 28.335 28.738 -0.013 0.000 0.898 187 Q HN 0.689 nan 8.270 nan 0.000 0.426 188 A N 0.831 123.738 122.820 0.144 0.000 1.930 188 A HA -0.251 4.070 4.320 0.000 0.000 0.217 188 A C 1.958 179.748 177.584 0.344 0.000 1.175 188 A CA 1.596 53.819 52.037 0.309 0.000 0.627 188 A CB -0.435 18.739 19.000 0.290 0.000 0.815 188 A HN 0.368 nan 8.150 nan 0.000 0.443 189 Q N -0.574 119.348 119.800 0.204 0.000 2.187 189 Q HA -0.067 4.273 4.340 0.000 0.000 0.199 189 Q C 2.156 178.252 176.000 0.160 0.000 0.957 189 Q CA 1.074 56.977 55.803 0.166 0.000 0.857 189 Q CB -0.056 28.739 28.738 0.096 0.000 0.929 189 Q HN 0.646 nan 8.270 nan 0.000 0.453 190 R N -0.741 119.856 120.500 0.162 0.000 2.096 190 R HA -0.121 4.219 4.340 0.000 0.000 0.235 190 R C 1.958 178.443 176.300 0.308 0.000 1.127 190 R CA 1.267 57.466 56.100 0.164 0.000 0.968 190 R CB -0.256 30.145 30.300 0.168 0.000 0.861 190 R HN 0.253 nan 8.270 nan 0.000 0.440 191 F N 1.378 121.396 119.950 0.113 0.000 2.146 191 F HA -0.159 4.368 4.527 0.000 0.000 0.298 191 F C 2.123 177.959 175.800 0.059 0.000 1.096 191 F CA 1.497 59.509 58.000 0.020 0.000 1.275 191 F CB -0.533 38.323 39.000 -0.240 0.000 1.008 191 F HN -0.097 nan 8.300 nan 0.000 0.480 192 T N 0.309 114.985 114.554 0.204 0.000 2.720 192 T HA -0.192 4.159 4.350 0.000 0.000 0.268 192 T C 2.247 176.985 174.700 0.063 0.000 1.037 192 T CA 1.400 63.585 62.100 0.141 0.000 1.144 192 T CB -0.818 68.177 68.868 0.211 0.000 0.864 192 T HN 0.307 nan 8.240 nan 0.000 0.444 193 A N 0.799 123.651 122.820 0.053 0.000 1.933 193 A HA -0.014 4.306 4.320 0.000 0.000 0.218 193 A C 1.971 179.523 177.584 -0.053 0.000 1.175 193 A CA 1.291 53.315 52.037 -0.022 0.000 0.628 193 A CB -0.995 17.955 19.000 -0.083 0.000 0.814 193 A HN 0.464 nan 8.150 nan 0.000 0.444 194 F N -0.098 119.778 119.950 -0.123 0.000 2.171 194 F HA -0.097 4.430 4.527 0.000 0.000 0.300 194 F C 2.076 177.843 175.800 -0.055 0.000 1.090 194 F CA 1.338 59.211 58.000 -0.212 0.000 1.293 194 F CB -0.376 38.286 39.000 -0.563 0.000 1.013 194 F HN 0.096 nan 8.300 nan 0.000 0.486 195 L N -0.774 120.463 121.223 0.023 0.000 2.131 195 L HA -0.210 4.131 4.340 0.000 0.000 0.210 195 L C 2.634 179.578 176.870 0.123 0.000 1.092 195 L CA 0.975 55.845 54.840 0.051 0.000 0.759 195 L CB -0.901 41.130 42.059 -0.046 0.000 0.903 195 L HN 0.141 nan 8.230 nan 0.000 0.435 196 A N -0.585 122.291 122.820 0.093 0.000 1.898 196 A HA -0.228 4.092 4.320 0.000 0.000 0.216 196 A C 2.237 179.881 177.584 0.100 0.000 1.181 196 A CA 1.346 53.430 52.037 0.078 0.000 0.620 196 A CB -0.396 18.631 19.000 0.045 0.000 0.819 196 A HN 0.435 nan 8.150 nan 0.000 0.442 197 Q N -0.673 119.216 119.800 0.149 0.000 2.084 197 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 197 Q C 2.457 178.556 176.000 0.164 0.000 0.978 197 Q CA 1.373 57.281 55.803 0.175 0.000 0.844 197 Q CB -0.389 28.534 28.738 0.308 0.000 0.898 197 Q HN 0.691 nan 8.270 nan 0.000 0.426 198 A N 1.334 124.316 122.820 0.271 0.000 1.883 198 A HA -0.255 4.065 4.320 0.000 0.000 0.217 198 A C 2.031 179.651 177.584 0.060 0.000 1.186 198 A CA 1.714 53.855 52.037 0.172 0.000 0.624 198 A CB -0.592 18.638 19.000 0.384 0.000 0.822 198 A HN 0.269 nan 8.150 nan 0.000 0.444 199 R N 0.055 120.603 120.500 0.081 0.000 2.083 199 R HA -0.186 4.154 4.340 0.000 0.000 0.237 199 R C 1.865 178.175 176.300 0.016 0.000 1.137 199 R CA 1.984 58.108 56.100 0.040 0.000 0.951 199 R CB -0.341 29.989 30.300 0.049 0.000 0.851 199 R HN 0.669 nan 8.270 nan 0.000 0.434 200 E N -0.410 119.804 120.200 0.023 0.000 2.409 200 E HA -0.136 4.215 4.350 0.000 0.000 0.198 200 E C 1.187 177.780 176.600 -0.011 0.000 1.024 200 E CA 0.466 56.871 56.400 0.007 0.000 0.861 200 E CB 0.235 29.944 29.700 0.015 0.000 0.788 200 E HN 0.366 nan 8.360 nan 0.000 0.521 201 Q N -0.536 119.249 119.800 -0.024 0.000 2.198 201 Q HA 0.109 4.449 4.340 0.000 0.000 0.209 201 Q C 0.613 176.575 176.000 -0.065 0.000 0.848 201 Q CA 0.289 56.060 55.803 -0.054 0.000 0.974 201 Q CB 1.365 30.049 28.738 -0.090 0.000 1.115 201 Q HN 0.349 nan 8.270 nan 0.000 0.494 202 G N 0.986 109.756 108.800 -0.049 0.000 2.305 202 G HA2 -0.243 3.718 3.960 0.000 0.000 0.287 202 G HA3 -0.243 3.718 3.960 0.000 0.000 0.287 202 G C -0.056 174.791 174.900 -0.087 0.000 1.036 202 G CA 0.424 45.491 45.100 -0.055 0.000 0.887 202 G HN 0.205 nan 8.290 nan 0.000 0.505 203 V N 0.441 120.288 119.914 -0.112 0.000 2.604 203 V HA 0.828 4.948 4.120 0.000 0.000 0.305 203 V C 0.397 176.371 176.094 -0.200 0.000 1.043 203 V CA -0.683 61.496 62.300 -0.202 0.000 0.888 203 V CB 1.859 33.507 31.823 -0.293 0.000 0.995 203 V HN 0.729 nan 8.190 nan 0.000 0.429 204 R N 3.036 123.389 120.500 -0.246 0.000 2.744 204 R HA 0.760 5.100 4.340 0.000 0.000 0.279 204 R C -1.731 174.419 176.300 -0.251 0.000 0.977 204 R CA -0.673 55.336 56.100 -0.152 0.000 0.906 204 R CB 1.678 31.957 30.300 -0.034 0.000 1.197 204 R HN 0.387 nan 8.270 nan 0.000 0.463 205 F N 1.024 120.988 119.950 0.023 0.000 2.422 205 F HA 0.311 4.838 4.527 0.000 0.000 0.333 205 F C 1.389 177.214 175.800 0.042 0.000 1.095 205 F CA -0.726 57.292 58.000 0.031 0.000 1.038 205 F CB 1.909 40.926 39.000 0.029 0.000 1.156 205 F HN 0.673 nan 8.300 nan 0.000 0.483 206 E N 0.655 120.987 120.200 0.220 0.000 2.077 206 E HA -0.067 4.283 4.350 0.000 0.000 0.193 206 E C 0.001 176.706 176.600 0.175 0.000 0.989 206 E CA 1.144 57.637 56.400 0.155 0.000 0.800 206 E CB 0.063 29.837 29.700 0.123 0.000 0.746 206 E HN 0.384 nan 8.360 nan 0.000 0.452 207 V N -3.177 116.866 119.914 0.214 0.000 3.049 207 V HA 0.823 4.943 4.120 0.000 0.000 0.309 207 V C -1.179 175.040 176.094 0.207 0.000 1.148 207 V CA -1.154 61.275 62.300 0.215 0.000 0.990 207 V CB 1.958 33.913 31.823 0.221 0.000 1.039 207 V HN -0.009 nan 8.190 nan 0.000 0.430 208 A N 2.327 125.272 122.820 0.207 0.000 2.371 208 A HA 1.020 5.340 4.320 0.000 0.000 0.311 208 A C -0.802 176.966 177.584 0.306 0.000 1.068 208 A CA -0.450 51.647 52.037 0.099 0.000 0.744 208 A CB 1.037 19.966 19.000 -0.117 0.000 1.239 208 A HN 1.938 nan 8.150 nan 0.000 0.435 209 H N -0.257 118.907 119.070 0.157 0.000 2.954 209 H HA 0.662 5.218 4.556 0.000 0.000 0.361 209 H C -0.677 174.501 175.328 -0.251 0.000 1.122 209 H CA -0.818 55.258 56.048 0.048 0.000 1.217 209 H CB 1.351 31.132 29.762 0.032 0.000 1.776 209 H HN 0.541 nan 8.280 nan 0.000 0.533 210 L N 0.855 121.959 121.223 -0.198 0.000 3.076 210 L HA 0.433 4.773 4.340 0.000 0.000 0.271 210 L C -0.596 176.190 176.870 -0.140 0.000 1.152 210 L CA 0.228 54.799 54.840 -0.449 0.000 0.996 210 L CB 0.831 42.434 42.059 -0.760 0.000 1.453 210 L HN 0.559 nan 8.230 nan 0.000 0.571 211 S N 1.765 117.472 115.700 0.012 0.000 2.513 211 S HA 0.395 4.865 4.470 0.000 0.000 0.276 211 S C -0.059 174.576 174.600 0.058 0.000 1.254 211 S CA -0.584 57.639 58.200 0.040 0.000 1.053 211 S CB 0.684 63.929 63.200 0.076 0.000 0.958 211 S HN 0.560 nan 8.310 nan 0.000 0.491 212 N N 1.387 120.121 118.700 0.056 0.000 2.593 212 N HA 0.326 5.066 4.740 0.000 0.000 0.304 212 N C 0.889 176.439 175.510 0.068 0.000 1.296 212 N CA -0.816 52.295 53.050 0.103 0.000 0.950 212 N CB -0.513 38.053 38.487 0.131 0.000 1.127 212 N HN 0.295 nan 8.380 nan 0.000 0.587 213 S N -0.544 115.207 115.700 0.084 0.000 2.356 213 S HA -0.176 4.295 4.470 0.000 0.000 0.223 213 S C 1.825 176.429 174.600 0.007 0.000 1.032 213 S CA 1.457 59.677 58.200 0.032 0.000 1.005 213 S CB -0.632 62.597 63.200 0.047 0.000 0.867 213 S HN 0.669 nan 8.310 nan 0.000 0.449 214 S N 1.494 117.220 115.700 0.045 0.000 2.353 214 S HA -0.142 4.328 4.470 0.000 0.000 0.222 214 S C 2.088 176.690 174.600 0.003 0.000 1.035 214 S CA 1.445 59.662 58.200 0.029 0.000 1.025 214 S CB -0.575 62.662 63.200 0.061 0.000 0.902 214 S HN 0.534 nan 8.310 nan 0.000 0.440 215 A N 0.216 123.043 122.820 0.011 0.000 1.933 215 A HA -0.041 4.279 4.320 0.000 0.000 0.218 215 A C 2.365 179.954 177.584 0.008 0.000 1.175 215 A CA 2.193 54.236 52.037 0.010 0.000 0.628 215 A CB -1.467 17.542 19.000 0.015 0.000 0.814 215 A HN 0.603 nan 8.150 nan 0.000 0.444 216 T N -0.211 114.344 114.554 0.000 0.000 2.746 216 T HA -0.106 4.245 4.350 0.000 0.000 0.267 216 T C 1.890 176.558 174.700 -0.053 0.000 1.039 216 T CA 1.832 63.929 62.100 -0.005 0.000 1.142 216 T CB -0.235 68.625 68.868 -0.013 0.000 0.866 216 T HN 0.450 nan 8.240 nan 0.000 0.444 217 M N -0.122 119.389 119.600 -0.149 0.000 2.394 217 M HA 0.247 4.727 4.480 0.000 0.000 0.266 217 M C 2.298 178.518 176.300 -0.133 0.000 1.098 217 M CA 0.683 55.761 55.300 -0.370 0.000 1.149 217 M CB 0.172 32.485 32.600 -0.477 0.000 1.369 217 M HN 0.260 nan 8.290 nan 0.000 0.450 218 A N -0.793 121.996 122.820 -0.051 0.000 2.259 218 A HA 0.243 4.563 4.320 0.000 0.000 0.213 218 A C 0.868 178.458 177.584 0.011 0.000 1.209 218 A CA 0.005 52.039 52.037 -0.004 0.000 0.910 218 A CB 0.524 19.520 19.000 -0.008 0.000 0.946 218 A HN 0.153 nan 8.150 nan 0.000 0.497 219 R N 0.388 120.894 120.500 0.010 0.000 2.835 219 R HA 0.239 4.579 4.340 0.000 0.000 0.290 219 R C -2.447 173.866 176.300 0.021 0.000 1.410 219 R CA -1.855 54.252 56.100 0.013 0.000 1.590 219 R CB 0.411 30.715 30.300 0.005 0.000 1.288 219 R HN 0.299 nan 8.270 nan 0.000 0.637 220 P HA -0.110 nan 4.420 nan 0.000 0.230 220 P C 0.435 177.739 177.300 0.007 0.000 1.158 220 P CA 0.842 63.963 63.100 0.035 0.000 0.769 220 P CB 0.333 32.067 31.700 0.057 0.000 0.807 221 D N 0.293 120.691 120.400 -0.002 0.000 2.310 221 D HA -0.109 4.531 4.640 0.000 0.000 0.212 221 D C 1.508 177.774 176.300 -0.056 0.000 0.965 221 D CA 0.678 54.662 54.000 -0.027 0.000 0.879 221 D CB -0.806 39.981 40.800 -0.021 0.000 0.921 221 D HN 0.280 nan 8.370 nan 0.000 0.510 222 L N 0.451 121.656 121.223 -0.029 0.000 2.700 222 L HA 0.174 4.514 4.340 0.000 0.000 0.234 222 L C 0.367 177.227 176.870 -0.017 0.000 1.156 222 L CA -0.124 54.700 54.840 -0.026 0.000 0.946 222 L CB 0.062 42.148 42.059 0.045 0.000 1.216 222 L HN -0.201 nan 8.230 nan 0.000 0.493 223 T N 0.221 114.753 114.554 -0.038 0.000 2.869 223 T HA 0.298 4.649 4.350 0.000 0.000 0.295 223 T C 0.268 174.944 174.700 -0.040 0.000 0.987 223 T CA 0.031 62.159 62.100 0.048 0.000 1.109 223 T CB 1.008 69.907 68.868 0.052 0.000 0.932 223 T HN -0.093 nan 8.240 nan 0.000 0.518 224 F N 1.062 121.081 119.950 0.115 0.000 2.705 224 F HA 0.302 4.829 4.527 0.000 0.000 0.163 224 F C 2.015 177.892 175.800 0.129 0.000 1.132 224 F CA -0.376 57.710 58.000 0.145 0.000 0.927 224 F CB -0.022 39.116 39.000 0.230 0.000 2.137 224 F HN 0.419 nan 8.300 nan 0.000 0.649 225 D N -0.092 120.543 120.400 0.391 0.000 2.346 225 D HA 0.154 4.794 4.640 0.000 0.000 0.206 225 D C -0.156 176.254 176.300 0.183 0.000 1.001 225 D CA 0.774 54.919 54.000 0.241 0.000 0.871 225 D CB 0.842 41.779 40.800 0.230 0.000 0.943 225 D HN 0.036 nan 8.370 nan 0.000 0.518 226 L N 0.610 121.956 121.223 0.204 0.000 2.466 226 L HA 0.352 4.692 4.340 0.000 0.000 0.258 226 L C -1.267 175.666 176.870 0.105 0.000 0.973 226 L CA -0.842 54.054 54.840 0.094 0.000 0.826 226 L CB 2.310 44.347 42.059 -0.037 0.000 1.372 226 L HN -0.205 nan 8.230 nan 0.000 0.409 227 V N 1.143 121.084 119.914 0.045 0.000 2.919 227 V HA 0.680 4.800 4.120 0.000 0.000 0.316 227 V C -0.412 175.689 176.094 0.011 0.000 1.077 227 V CA -0.691 61.639 62.300 0.050 0.000 0.977 227 V CB 1.915 33.767 31.823 0.048 0.000 1.039 227 V HN 0.852 nan 8.190 nan 0.000 0.441 228 R N 2.374 122.893 120.500 0.032 0.000 2.748 228 R HA 0.381 4.721 4.340 0.000 0.000 0.283 228 R C -2.763 173.573 176.300 0.060 0.000 1.507 228 R CA -1.505 54.618 56.100 0.037 0.000 1.666 228 R CB 1.129 31.446 30.300 0.028 0.000 1.237 228 R HN 0.633 nan 8.270 nan 0.000 0.633 229 P HA 0.096 nan 4.420 nan 0.000 0.276 229 P C -0.014 177.278 177.300 -0.013 0.000 1.235 229 P CA 0.186 63.290 63.100 0.007 0.000 0.772 229 P CB 1.950 33.618 31.700 -0.052 0.000 0.871 230 G N 2.371 111.188 108.800 0.029 0.000 2.598 230 G HA2 -0.022 3.938 3.960 0.000 0.000 0.225 230 G HA3 -0.022 3.938 3.960 0.000 0.000 0.225 230 G C 1.105 175.868 174.900 -0.229 0.000 1.631 230 G CA -0.001 45.056 45.100 -0.071 0.000 0.821 230 G HN 0.401 nan 8.290 nan 0.000 0.610 231 I N 2.223 122.766 120.570 -0.045 0.000 2.236 231 I HA -0.166 4.004 4.170 0.000 0.000 0.249 231 I C 2.926 178.963 176.117 -0.134 0.000 1.102 231 I CA 1.611 62.854 61.300 -0.094 0.000 1.365 231 I CB -0.280 37.557 38.000 -0.272 0.000 1.051 231 I HN 0.221 nan 8.210 nan 0.000 0.420 232 A N -0.884 121.854 122.820 -0.137 0.000 2.015 232 A HA -0.116 4.204 4.320 0.000 0.000 0.219 232 A C 2.375 179.815 177.584 -0.240 0.000 1.163 232 A CA 1.652 53.598 52.037 -0.151 0.000 0.646 232 A CB -1.029 17.901 19.000 -0.115 0.000 0.806 232 A HN 0.306 nan 8.150 nan 0.000 0.448 233 V N -1.323 118.340 119.914 -0.417 0.000 2.407 233 V HA -0.276 3.844 4.120 0.000 0.000 0.248 233 V C 2.041 177.715 176.094 -0.700 0.000 1.055 233 V CA 1.765 63.695 62.300 -0.617 0.000 1.049 233 V CB -1.049 30.259 31.823 -0.858 0.000 0.662 233 V HN 0.744 nan 8.190 nan 0.000 0.455 234 Y N 0.376 120.466 120.300 -0.351 0.000 2.529 234 Y HA 0.375 4.925 4.550 0.001 0.000 0.290 234 Y C 1.897 177.672 175.900 -0.208 0.000 1.177 234 Y CA 0.492 58.337 58.100 -0.426 0.000 1.305 234 Y CB -0.398 37.617 38.460 -0.741 0.000 1.047 234 Y HN 0.327 nan 8.280 nan 0.000 0.522 235 G N 0.556 109.302 108.800 -0.091 0.000 2.143 235 G HA2 -0.290 3.670 3.960 0.000 0.000 0.248 235 G HA3 -0.290 3.670 3.960 0.000 0.000 0.248 235 G C -0.165 174.705 174.900 -0.051 0.000 0.991 235 G CA -0.107 44.972 45.100 -0.035 0.000 0.689 235 G HN 0.288 nan 8.290 nan 0.000 0.522 236 L N 1.018 122.161 121.223 -0.133 0.000 2.307 236 L HA 0.601 4.941 4.340 0.000 0.000 0.282 236 L C 1.109 177.880 176.870 -0.165 0.000 1.051 236 L CA -0.546 54.131 54.840 -0.271 0.000 0.804 236 L CB 1.820 43.443 42.059 -0.726 0.000 1.197 236 L HN 0.176 nan 8.230 nan 0.000 0.431 237 S N 3.985 119.701 115.700 0.026 0.000 2.488 237 S HA 0.180 4.650 4.470 0.000 0.000 0.278 237 S C -1.246 173.481 174.600 0.212 0.000 1.259 237 S CA -1.200 57.071 58.200 0.118 0.000 1.061 237 S CB 0.728 64.008 63.200 0.134 0.000 0.910 237 S HN 0.445 nan 8.310 nan 0.000 0.491 238 P HA 0.020 nan 4.420 nan 0.000 0.225 238 P C -0.133 177.250 177.300 0.137 0.000 1.156 238 P CA 0.632 63.818 63.100 0.144 0.000 0.787 238 P CB 0.045 31.787 31.700 0.069 0.000 0.802 239 V N 0.971 120.942 119.914 0.096 0.000 2.383 239 V HA 0.205 4.325 4.120 0.000 0.000 0.264 239 V C -1.800 174.335 176.094 0.068 0.000 1.001 239 V CA -1.336 61.009 62.300 0.074 0.000 0.828 239 V CB 1.227 33.077 31.823 0.045 0.000 1.069 239 V HN -0.144 nan 8.190 nan 0.000 0.451 240 P HA -0.216 nan 4.420 nan 0.000 0.217 240 P C 1.704 179.026 177.300 0.037 0.000 1.148 240 P CA 1.907 65.039 63.100 0.055 0.000 0.834 240 P CB 0.347 32.046 31.700 -0.002 0.000 0.783 241 A N -0.959 121.877 122.820 0.027 0.000 2.070 241 A HA -0.121 4.199 4.320 0.000 0.000 0.220 241 A C 1.946 179.545 177.584 0.024 0.000 1.159 241 A CA 1.209 53.259 52.037 0.021 0.000 0.656 241 A CB -1.420 17.589 19.000 0.016 0.000 0.800 241 A HN 0.190 nan 8.150 nan 0.000 0.453 242 L N -1.461 119.780 121.223 0.030 0.000 2.591 242 L HA 0.328 4.668 4.340 0.000 0.000 0.228 242 L C 1.295 178.185 176.870 0.034 0.000 1.133 242 L CA 0.289 55.147 54.840 0.029 0.000 0.880 242 L CB -0.715 41.361 42.059 0.029 0.000 1.033 242 L HN 0.607 nan 8.230 nan 0.000 0.450 243 G N 1.417 110.240 108.800 0.038 0.000 2.500 243 G HA2 -0.261 3.699 3.960 0.000 0.000 0.209 243 G HA3 -0.261 3.699 3.960 0.000 0.000 0.209 243 G C -0.121 174.808 174.900 0.049 0.000 1.283 243 G CA -0.028 45.097 45.100 0.041 0.000 0.960 243 G HN 0.324 nan 8.290 nan 0.000 0.528 244 D N -0.487 119.941 120.400 0.047 0.000 2.363 244 D HA 0.136 4.777 4.640 0.000 0.000 0.226 244 D C 1.829 178.159 176.300 0.050 0.000 1.020 244 D CA 0.850 54.880 54.000 0.049 0.000 0.892 244 D CB -0.285 40.540 40.800 0.042 0.000 0.900 244 D HN 0.929 nan 8.370 nan 0.000 0.531 245 M N -0.672 118.958 119.600 0.050 0.000 2.545 245 M HA -0.226 4.254 4.480 0.000 0.000 0.192 245 M C 1.154 177.500 176.300 0.077 0.000 0.512 245 M CA 0.775 56.106 55.300 0.052 0.000 0.508 245 M CB -1.711 30.903 32.600 0.023 0.000 1.844 245 M HN 0.494 nan 8.290 nan 0.000 0.756 246 G N -0.502 108.351 108.800 0.088 0.000 2.179 246 G HA2 -0.266 3.694 3.960 0.000 0.000 0.260 246 G HA3 -0.266 3.694 3.960 0.000 0.000 0.260 246 G C 0.011 175.035 174.900 0.207 0.000 0.977 246 G CA 0.458 45.636 45.100 0.130 0.000 0.641 246 G HN 0.508 nan 8.290 nan 0.000 0.533 247 L N -0.302 121.006 121.223 0.142 0.000 2.400 247 L HA 0.777 5.117 4.340 0.000 0.000 0.264 247 L C 0.336 177.245 176.870 0.066 0.000 1.061 247 L CA -1.349 53.583 54.840 0.154 0.000 0.799 247 L CB 1.829 43.925 42.059 0.063 0.000 1.240 247 L HN -0.085 nan 8.230 nan 0.000 0.461 248 V N 1.143 121.073 119.914 0.027 0.000 2.380 248 V HA 0.274 4.394 4.120 0.000 0.000 0.286 248 V C -2.359 173.738 176.094 0.004 0.000 1.015 248 V CA -1.664 60.611 62.300 -0.043 0.000 0.834 248 V CB 1.443 33.163 31.823 -0.172 0.000 1.009 248 V HN 0.558 nan 8.190 nan 0.000 0.428 249 P HA 0.056 nan 4.420 nan 0.000 0.261 249 P C 0.588 177.942 177.300 0.090 0.000 1.183 249 P CA 0.337 63.475 63.100 0.064 0.000 0.761 249 P CB 0.912 32.657 31.700 0.076 0.000 0.785 250 A N 4.280 127.190 122.820 0.150 0.000 2.123 250 A HA 0.036 4.356 4.320 0.000 0.000 0.214 250 A C 0.980 178.671 177.584 0.178 0.000 1.152 250 A CA 0.585 52.722 52.037 0.166 0.000 0.728 250 A CB -0.507 18.616 19.000 0.205 0.000 0.814 250 A HN 0.568 nan 8.150 nan 0.000 0.464 251 M N 1.043 120.765 119.600 0.203 0.000 2.180 251 M HA 0.408 4.888 4.480 0.000 0.000 0.350 251 M C -1.448 174.801 176.300 -0.084 0.000 1.125 251 M CA 0.089 55.397 55.300 0.014 0.000 1.031 251 M CB 1.368 33.896 32.600 -0.120 0.000 1.623 251 M HN 0.034 nan 8.290 nan 0.000 0.451 252 T N 4.547 118.977 114.554 -0.208 0.000 2.786 252 T HA 0.533 4.883 4.350 0.000 0.000 0.283 252 T C -0.827 173.597 174.700 -0.459 0.000 0.992 252 T CA -0.526 61.390 62.100 -0.307 0.000 0.954 252 T CB 1.364 70.127 68.868 -0.175 0.000 0.934 252 T HN 0.505 nan 8.240 nan 0.000 0.440 253 V N 5.506 124.968 119.914 -0.753 0.000 2.435 253 V HA 0.706 4.827 4.120 0.000 0.000 0.290 253 V C 0.019 175.887 176.094 -0.377 0.000 1.030 253 V CA -0.678 61.239 62.300 -0.637 0.000 0.881 253 V CB 1.330 32.599 31.823 -0.923 0.000 0.983 253 V HN 0.898 nan 8.190 nan 0.000 0.445 254 K N 3.818 124.088 120.400 -0.216 0.000 2.548 254 K HA 0.853 5.173 4.320 0.000 0.000 0.282 254 K C -1.145 175.415 176.600 -0.068 0.000 1.006 254 K CA -0.687 55.531 56.287 -0.115 0.000 0.892 254 K CB 2.075 34.512 32.500 -0.106 0.000 1.499 254 K HN 0.798 nan 8.250 nan 0.000 0.433 255 C N -1.601 117.677 119.300 -0.036 0.000 3.340 255 C HA 0.921 5.381 4.460 0.000 0.000 0.333 255 C C -0.314 174.653 174.990 -0.038 0.000 1.464 255 C CA -0.641 58.358 59.018 -0.032 0.000 1.337 255 C CB 0.938 28.672 27.740 -0.011 0.000 1.740 255 C HN 1.073 nan 8.230 nan 0.000 0.450 256 A N 0.487 123.283 122.820 -0.041 0.000 2.295 256 A HA 0.694 5.014 4.320 0.000 0.000 0.318 256 A C -0.233 177.317 177.584 -0.056 0.000 1.134 256 A CA -0.420 51.591 52.037 -0.043 0.000 0.827 256 A CB 0.406 19.384 19.000 -0.037 0.000 1.136 256 A HN 1.450 nan 8.150 nan 0.000 0.493 257 V N 1.777 121.658 119.914 -0.056 0.000 2.485 257 V HA 0.226 4.346 4.120 0.000 0.000 0.287 257 V C 1.388 177.447 176.094 -0.059 0.000 1.022 257 V CA 0.989 63.248 62.300 -0.068 0.000 1.067 257 V CB 0.537 32.327 31.823 -0.056 0.000 0.967 257 V HN 1.083 nan 8.190 nan 0.000 0.479 258 A N 5.449 128.229 122.820 -0.068 0.000 2.095 258 A HA 0.452 4.772 4.320 0.000 0.000 0.212 258 A C 0.313 177.870 177.584 -0.045 0.000 1.162 258 A CA 0.548 52.554 52.037 -0.052 0.000 0.753 258 A CB 0.171 19.138 19.000 -0.055 0.000 0.840 258 A HN 0.718 nan 8.150 nan 0.000 0.468 259 L N -1.497 119.696 121.223 -0.050 0.000 2.591 259 L HA 0.557 4.897 4.340 0.000 0.000 0.257 259 L C -1.687 175.159 176.870 -0.040 0.000 0.935 259 L CA -0.480 54.336 54.840 -0.040 0.000 0.873 259 L CB 1.807 43.844 42.059 -0.037 0.000 1.397 259 L HN -0.116 nan 8.230 nan 0.000 0.414 260 V N 3.742 123.638 119.914 -0.030 0.000 2.581 260 V HA 0.691 4.811 4.120 0.000 0.000 0.303 260 V C -0.536 175.545 176.094 -0.020 0.000 1.041 260 V CA -0.635 61.649 62.300 -0.027 0.000 0.907 260 V CB 1.866 33.675 31.823 -0.022 0.000 0.994 260 V HN 0.822 nan 8.190 nan 0.000 0.442 261 K N 2.503 122.892 120.400 -0.018 0.000 2.565 261 K HA 0.508 4.828 4.320 0.000 0.000 0.249 261 K C -0.856 175.739 176.600 -0.009 0.000 0.958 261 K CA -0.305 55.974 56.287 -0.013 0.000 0.806 261 K CB 1.736 34.228 32.500 -0.014 0.000 1.194 261 K HN 0.684 nan 8.250 nan 0.000 0.434 262 S N 5.221 120.918 115.700 -0.006 0.000 2.499 262 S HA 0.386 4.857 4.470 0.000 0.000 0.275 262 S C 0.209 174.808 174.600 -0.002 0.000 1.257 262 S CA -0.649 57.549 58.200 -0.004 0.000 1.050 262 S CB 0.322 63.520 63.200 -0.003 0.000 0.937 262 S HN 0.445 nan 8.310 nan 0.000 0.490 280 D N 0.856 121.260 120.400 0.005 0.000 2.343 280 D HA 0.498 5.138 4.640 0.000 0.000 0.255 280 D C -0.430 175.874 176.300 0.005 0.000 1.187 280 D CA 1.001 55.004 54.000 0.005 0.000 0.875 280 D CB 1.373 42.175 40.800 0.004 0.000 1.136 280 D HN 0.531 nan 8.370 nan 0.000 0.469 281 T N 1.950 116.507 114.554 0.005 0.000 2.665 281 T HA 0.394 4.744 4.350 0.000 0.000 0.303 281 T C -1.613 173.088 174.700 0.003 0.000 1.334 281 T CA -0.822 61.281 62.100 0.005 0.000 1.011 281 T CB 0.844 69.716 68.868 0.008 0.000 1.573 281 T HN 0.214 nan 8.240 nan 0.000 0.492 282 N N 1.347 120.048 118.700 0.002 0.000 2.269 282 N HA 0.604 5.345 4.740 0.000 0.000 0.304 282 N C -1.178 174.330 175.510 -0.003 0.000 1.072 282 N CA -0.482 52.567 53.050 -0.002 0.000 0.802 282 N CB 1.939 40.424 38.487 -0.004 0.000 1.348 282 N HN 0.496 nan 8.380 nan 0.000 0.484 283 L N 0.883 122.101 121.223 -0.008 0.000 2.342 283 L HA 0.749 5.089 4.340 0.000 0.000 0.271 283 L C 0.101 176.953 176.870 -0.030 0.000 1.008 283 L CA -1.070 53.761 54.840 -0.015 0.000 0.818 283 L CB 1.794 43.846 42.059 -0.011 0.000 1.296 283 L HN 0.464 nan 8.230 nan 0.000 0.427 284 A N 3.112 125.904 122.820 -0.047 0.000 2.304 284 A HA 0.619 4.939 4.320 0.000 0.000 0.323 284 A C -0.889 176.623 177.584 -0.120 0.000 1.195 284 A CA -0.462 51.530 52.037 -0.075 0.000 0.826 284 A CB 1.175 20.129 19.000 -0.077 0.000 1.184 284 A HN 0.712 nan 8.150 nan 0.000 0.496 285 L N 3.562 124.715 121.223 -0.116 0.000 2.290 285 L HA 0.533 4.873 4.340 0.000 0.000 0.284 285 L C -1.102 175.649 176.870 -0.198 0.000 1.078 285 L CA -0.475 54.277 54.840 -0.146 0.000 0.815 285 L CB 0.493 42.500 42.059 -0.087 0.000 1.162 285 L HN 0.635 nan 8.230 nan 0.000 0.435 286 L N 7.490 128.513 121.223 -0.333 0.000 2.298 286 L HA 0.457 4.797 4.340 0.000 0.000 0.284 286 L C -2.016 174.746 176.870 -0.181 0.000 1.013 286 L CA -1.584 53.061 54.840 -0.325 0.000 0.824 286 L CB 1.453 43.154 42.059 -0.596 0.000 1.221 286 L HN 0.491 nan 8.230 nan 0.000 0.418 287 P HA 0.206 nan 4.420 nan 0.000 0.214 287 P C -0.710 176.594 177.300 0.007 0.000 1.807 287 P CA 0.120 63.200 63.100 -0.033 0.000 0.921 287 P CB -0.313 31.365 31.700 -0.037 0.000 1.835 288 I N -3.401 117.211 120.570 0.071 0.000 2.865 288 I HA 0.900 5.070 4.170 0.000 0.000 0.302 288 I C -0.397 175.818 176.117 0.163 0.000 1.140 288 I CA -1.144 60.215 61.300 0.097 0.000 1.021 288 I CB 2.433 40.508 38.000 0.124 0.000 1.233 288 I HN -0.027 nan 8.210 nan 0.000 0.427 289 G N 2.116 110.935 108.800 0.031 0.000 2.976 289 G HA2 0.313 4.273 3.960 0.000 0.000 0.276 289 G HA3 0.313 4.273 3.960 0.000 0.000 0.276 289 G C -0.315 174.522 174.900 -0.104 0.000 1.207 289 G CA -0.120 44.951 45.100 -0.048 0.000 0.803 289 G HN 0.780 nan 8.290 nan 0.000 0.572 290 Y N -0.771 119.508 120.300 -0.034 0.000 2.421 290 Y HA 0.308 4.858 4.550 -0.000 0.000 0.292 290 Y C 2.524 178.382 175.900 -0.070 0.000 1.136 290 Y CA 1.163 59.215 58.100 -0.080 0.000 1.255 290 Y CB -0.900 37.516 38.460 -0.073 0.000 0.991 290 Y HN 0.334 nan 8.280 nan 0.000 0.552 291 A N 0.434 123.195 122.820 -0.097 0.000 2.168 291 A HA -0.079 4.241 4.320 0.000 0.000 0.215 291 A C 1.500 179.069 177.584 -0.024 0.000 1.152 291 A CA 1.302 53.333 52.037 -0.010 0.000 0.716 291 A CB -0.520 18.437 19.000 -0.071 0.000 0.794 291 A HN 0.538 nan 8.150 nan 0.000 0.465 292 D N -1.423 118.955 120.400 -0.037 0.000 2.349 292 D HA 0.246 4.886 4.640 0.000 0.000 0.214 292 D C 1.219 177.509 176.300 -0.017 0.000 1.063 292 D CA 0.985 54.974 54.000 -0.018 0.000 0.847 292 D CB 0.507 41.307 40.800 0.000 0.000 0.933 292 D HN 0.558 nan 8.370 nan 0.000 0.513 293 G N 0.812 109.581 108.800 -0.052 0.000 2.184 293 G HA2 -0.254 3.706 3.960 0.000 0.000 0.206 293 G HA3 -0.254 3.706 3.960 0.000 0.000 0.206 293 G C 0.410 175.197 174.900 -0.188 0.000 0.995 293 G CA -0.246 44.764 45.100 -0.150 0.000 0.651 293 G HN 0.217 nan 8.290 nan 0.000 0.511 294 V N 2.888 122.767 119.914 -0.058 0.000 2.326 294 V HA 0.369 4.489 4.120 0.000 0.000 0.249 294 V C 0.897 176.889 176.094 -0.170 0.000 1.114 294 V CA -0.459 61.798 62.300 -0.071 0.000 1.028 294 V CB -0.976 30.800 31.823 -0.079 0.000 1.170 294 V HN 0.260 nan 8.190 nan 0.000 0.494 295 F N 3.496 123.336 119.950 -0.183 0.000 2.604 295 F HA -0.032 4.495 4.527 -0.000 0.000 0.393 295 F C 1.707 177.386 175.800 -0.201 0.000 1.043 295 F CA 0.428 58.328 58.000 -0.168 0.000 1.227 295 F CB 0.056 38.930 39.000 -0.211 0.000 1.016 295 F HN 0.416 nan 8.300 nan 0.000 0.556 296 R N 1.589 122.107 120.500 0.030 0.000 2.105 296 R HA -0.185 4.155 4.340 0.000 0.000 0.239 296 R C 2.093 178.349 176.300 -0.072 0.000 1.135 296 R CA 1.681 57.764 56.100 -0.028 0.000 0.967 296 R CB -0.202 30.002 30.300 -0.160 0.000 0.861 296 R HN 0.772 nan 8.270 nan 0.000 0.442 297 S N -0.009 115.649 115.700 -0.069 0.000 2.595 297 S HA -0.050 4.420 4.470 0.000 0.000 0.235 297 S C 1.715 176.223 174.600 -0.152 0.000 0.974 297 S CA 0.522 58.661 58.200 -0.102 0.000 0.942 297 S CB -0.192 62.947 63.200 -0.103 0.000 0.766 297 S HN 0.339 nan 8.310 nan 0.000 0.536 298 L N 1.317 122.410 121.223 -0.216 0.000 2.478 298 L HA 0.181 4.521 4.340 0.000 0.000 0.223 298 L C 1.675 178.416 176.870 -0.216 0.000 1.140 298 L CA 0.048 54.706 54.840 -0.305 0.000 0.842 298 L CB -0.911 40.814 42.059 -0.557 0.000 0.953 298 L HN 0.449 nan 8.230 nan 0.000 0.452 299 G N -0.533 108.173 108.800 -0.156 0.000 2.272 299 G HA2 0.305 4.266 3.960 0.000 0.000 0.247 299 G HA3 0.305 4.266 3.960 0.000 0.000 0.247 299 G C 1.119 175.992 174.900 -0.045 0.000 1.272 299 G CA 0.287 45.334 45.100 -0.089 0.000 0.921 299 G HN 0.413 nan 8.290 nan 0.000 0.495 300 G N 1.943 110.740 108.800 -0.005 0.000 2.184 300 G HA2 -0.302 3.658 3.960 0.000 0.000 0.264 300 G HA3 -0.302 3.658 3.960 0.000 0.000 0.264 300 G C 1.143 176.042 174.900 -0.000 0.000 0.975 300 G CA 0.943 46.051 45.100 0.012 0.000 0.642 300 G HN 0.854 nan 8.290 nan 0.000 0.536 301 R N -0.874 119.612 120.500 -0.024 0.000 2.350 301 R HA 0.442 4.782 4.340 0.000 0.000 0.199 301 R C 1.769 178.060 176.300 -0.014 0.000 0.876 301 R CA 0.479 56.561 56.100 -0.030 0.000 1.062 301 R CB 0.095 30.353 30.300 -0.069 0.000 1.263 301 R HN 0.600 nan 8.270 nan 0.000 0.641 302 L N -0.326 120.878 121.223 -0.032 0.000 2.479 302 L HA 0.478 4.818 4.340 0.000 0.000 0.249 302 L C -0.761 176.187 176.870 0.130 0.000 1.178 302 L CA -0.434 54.427 54.840 0.035 0.000 0.811 302 L CB 0.850 42.886 42.059 -0.038 0.000 1.187 302 L HN -0.058 nan 8.230 nan 0.000 0.480 303 E N 0.287 120.606 120.200 0.199 0.000 2.317 303 E HA 0.555 4.906 4.350 0.000 0.000 0.270 303 E C -1.213 175.541 176.600 0.257 0.000 0.885 303 E CA -0.945 55.573 56.400 0.197 0.000 0.760 303 E CB 2.678 32.465 29.700 0.144 0.000 1.227 303 E HN 0.651 nan 8.360 nan 0.000 0.434 304 V N -0.219 119.828 119.914 0.222 0.000 3.019 304 V HA 0.650 4.771 4.120 0.000 0.000 0.317 304 V C -0.830 175.338 176.094 0.124 0.000 1.094 304 V CA -1.086 61.337 62.300 0.205 0.000 1.000 304 V CB 1.549 33.498 31.823 0.210 0.000 1.060 304 V HN 0.551 nan 8.190 nan 0.000 0.443 305 L N 2.936 124.215 121.223 0.093 0.000 2.287 305 L HA 0.758 5.098 4.340 0.000 0.000 0.287 305 L C -0.782 176.110 176.870 0.035 0.000 1.022 305 L CA 0.013 54.888 54.840 0.058 0.000 0.814 305 L CB 0.792 42.879 42.059 0.047 0.000 1.217 305 L HN 0.709 nan 8.230 nan 0.000 0.420 306 I N 4.884 125.470 120.570 0.027 0.000 2.512 306 I HA 0.321 4.491 4.170 0.000 0.000 0.287 306 I C -0.075 176.048 176.117 0.009 0.000 1.069 306 I CA -0.843 60.464 61.300 0.011 0.000 1.056 306 I CB 1.765 39.768 38.000 0.005 0.000 1.229 306 I HN 0.696 nan 8.210 nan 0.000 0.429 307 N N 4.880 123.582 118.700 0.003 0.000 2.714 307 N HA -0.210 4.530 4.740 0.000 0.000 0.252 307 N C 0.925 176.440 175.510 0.007 0.000 1.014 307 N CA 1.450 54.502 53.050 0.003 0.000 0.735 307 N CB -0.634 37.853 38.487 0.001 0.000 0.924 307 N HN 1.169 nan 8.380 nan 0.000 0.540 308 G N -0.968 107.838 108.800 0.010 0.000 2.189 308 G HA2 -0.355 3.606 3.960 0.000 0.000 0.267 308 G HA3 -0.355 3.606 3.960 0.000 0.000 0.267 308 G C 0.051 174.962 174.900 0.019 0.000 0.975 308 G CA 0.817 45.925 45.100 0.013 0.000 0.644 308 G HN 0.759 nan 8.290 nan 0.000 0.537 309 R N -0.406 120.107 120.500 0.021 0.000 2.711 309 R HA 0.649 4.989 4.340 0.000 0.000 0.284 309 R C -0.160 176.162 176.300 0.037 0.000 0.968 309 R CA -1.204 54.912 56.100 0.026 0.000 0.924 309 R CB 1.150 31.463 30.300 0.022 0.000 1.162 309 R HN -0.010 nan 8.270 nan 0.000 0.465 310 R N 1.111 121.637 120.500 0.043 0.000 2.442 310 R HA 0.189 4.529 4.340 0.000 0.000 0.291 310 R C -0.671 175.663 176.300 0.057 0.000 1.069 310 R CA -0.270 55.865 56.100 0.059 0.000 1.022 310 R CB 0.465 30.802 30.300 0.061 0.000 0.976 310 R HN 0.650 nan 8.270 nan 0.000 0.443 311 C N 6.026 125.368 119.300 0.070 0.000 2.344 311 C HA 0.378 4.838 4.460 0.000 0.000 0.326 311 C C -2.157 172.890 174.990 0.095 0.000 1.201 311 C CA -1.730 57.328 59.018 0.067 0.000 1.410 311 C CB 1.752 29.522 27.740 0.051 0.000 2.070 311 C HN 0.579 nan 8.230 nan 0.000 0.445 312 P HA 0.231 nan 4.420 nan 0.000 0.275 312 P C 0.236 177.606 177.300 0.117 0.000 1.227 312 P CA 0.653 63.811 63.100 0.097 0.000 0.781 312 P CB 0.755 32.495 31.700 0.068 0.000 0.906 313 G N 1.923 110.816 108.800 0.155 0.000 2.441 313 G HA2 0.442 4.402 3.960 0.000 0.000 0.243 313 G HA3 0.442 4.402 3.960 0.000 0.000 0.243 313 G C -0.196 174.778 174.900 0.123 0.000 1.281 313 G CA -0.331 44.888 45.100 0.198 0.000 0.854 313 G HN 0.464 nan 8.290 nan 0.000 0.560 314 V N 0.594 120.581 119.914 0.122 0.000 2.735 314 V HA 0.971 5.091 4.120 0.000 0.000 0.310 314 V C 0.742 176.887 176.094 0.085 0.000 1.061 314 V CA -0.030 62.318 62.300 0.080 0.000 0.913 314 V CB 0.744 32.601 31.823 0.057 0.000 1.005 314 V HN 2.323 nan 8.190 nan 0.000 0.428 315 G N 3.468 112.304 108.800 0.061 0.000 2.796 315 G HA2 -0.165 3.795 3.960 0.000 0.000 0.226 315 G HA3 -0.165 3.795 3.960 0.000 0.000 0.226 315 G C -0.367 174.572 174.900 0.066 0.000 1.381 315 G CA -0.081 45.054 45.100 0.058 0.000 0.867 315 G HN 1.129 nan 8.290 nan 0.000 0.552 316 R N -0.692 119.847 120.500 0.064 0.000 2.531 316 R HA 0.452 4.792 4.340 0.000 0.000 0.273 316 R C 0.863 177.223 176.300 0.100 0.000 1.070 316 R CA -0.779 55.359 56.100 0.064 0.000 1.112 316 R CB 0.484 30.822 30.300 0.062 0.000 1.049 316 R HN 0.418 nan 8.270 nan 0.000 0.508 317 I N 2.245 122.863 120.570 0.080 0.000 2.533 317 I HA -0.003 4.167 4.170 0.000 0.000 0.284 317 I C 0.631 176.868 176.117 0.199 0.000 1.109 317 I CA -0.177 61.185 61.300 0.102 0.000 1.412 317 I CB -0.119 37.878 38.000 -0.006 0.000 1.396 317 I HN 0.635 nan 8.210 nan 0.000 0.543 318 C N 5.739 125.113 119.300 0.124 0.000 2.352 318 C HA 0.253 4.714 4.460 0.000 0.000 0.387 318 C C 2.186 176.923 174.990 -0.422 0.000 1.294 318 C CA -0.593 58.446 59.018 0.036 0.000 2.137 318 C CB 1.412 29.164 27.740 0.020 0.000 2.146 318 C HN 0.926 nan 8.230 nan 0.000 0.559 319 M N 1.465 120.664 119.600 -0.668 0.000 2.213 319 M HA -0.120 4.360 4.480 0.000 0.000 0.263 319 M C 0.676 176.609 176.300 -0.612 0.000 1.062 319 M CA 2.240 56.779 55.300 -1.269 0.000 1.105 319 M CB -0.142 32.108 32.600 -0.582 0.000 1.385 319 M HN 0.890 nan 8.290 nan 0.000 0.417 320 D N -0.623 119.604 120.400 -0.288 0.000 2.582 320 D HA 0.110 4.750 4.640 0.000 0.000 0.246 320 D C -0.445 175.827 176.300 -0.046 0.000 1.334 320 D CA -0.293 53.623 54.000 -0.140 0.000 0.805 320 D CB -0.102 40.638 40.800 -0.101 0.000 1.087 320 D HN 0.650 nan 8.370 nan 0.000 0.499 321 Q N -0.548 119.250 119.800 -0.004 0.000 2.702 321 Q HA 0.562 4.902 4.340 0.000 0.000 0.289 321 Q C -1.533 174.600 176.000 0.221 0.000 0.923 321 Q CA -1.210 54.640 55.803 0.078 0.000 0.787 321 Q CB 1.533 30.277 28.738 0.010 0.000 1.476 321 Q HN 0.078 nan 8.270 nan 0.000 0.402 322 F N -1.261 118.685 119.950 -0.007 0.000 2.741 322 F HA 0.789 5.316 4.527 -0.000 0.000 0.313 322 F C -1.632 174.178 175.800 0.016 0.000 1.153 322 F CA -1.390 56.616 58.000 0.010 0.000 0.931 322 F CB 1.634 40.649 39.000 0.024 0.000 1.335 322 F HN 0.414 nan 8.300 nan 0.000 0.460 323 M N 3.236 122.878 119.600 0.070 0.000 2.578 323 M HA 0.736 5.216 4.480 0.000 0.000 0.321 323 M C -0.686 175.623 176.300 0.015 0.000 1.182 323 M CA -0.985 54.290 55.300 -0.042 0.000 0.965 323 M CB 1.907 34.517 32.600 0.018 0.000 1.694 323 M HN 0.760 nan 8.290 nan 0.000 0.461 324 V N -1.381 118.509 119.914 -0.041 0.000 2.962 324 V HA 0.604 4.724 4.120 0.000 0.000 0.313 324 V C -1.005 175.097 176.094 0.014 0.000 1.099 324 V CA -0.878 61.438 62.300 0.027 0.000 0.971 324 V CB 2.271 34.111 31.823 0.029 0.000 1.028 324 V HN 0.794 nan 8.190 nan 0.000 0.430 325 D N 2.225 122.645 120.400 0.033 0.000 2.339 325 D HA 0.394 5.034 4.640 0.000 0.000 0.241 325 D C 0.817 177.129 176.300 0.020 0.000 1.183 325 D CA -0.061 53.953 54.000 0.024 0.000 0.859 325 D CB 1.379 42.197 40.800 0.030 0.000 1.067 325 D HN 0.650 nan 8.370 nan 0.000 0.484 326 L N 2.884 124.113 121.223 0.009 0.000 2.492 326 L HA 0.255 4.595 4.340 0.000 0.000 0.223 326 L C 1.441 178.317 176.870 0.010 0.000 1.132 326 L CA 0.333 55.177 54.840 0.008 0.000 0.850 326 L CB -0.610 41.448 42.059 -0.001 0.000 0.966 326 L HN 0.634 nan 8.230 nan 0.000 0.454 327 G N 0.358 109.164 108.800 0.011 0.000 2.707 327 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 327 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 327 G C -2.976 171.928 174.900 0.007 0.000 1.315 327 G CA -0.864 44.242 45.100 0.011 0.000 0.832 327 G HN -0.042 nan 8.290 nan 0.000 0.573 328 P HA 0.659 nan 4.420 nan 0.000 0.280 328 P C 0.800 178.103 177.300 0.004 0.000 1.272 328 P CA 1.196 64.299 63.100 0.005 0.000 0.819 328 P CB 1.297 33.000 31.700 0.006 0.000 1.122 329 G N -0.223 108.579 108.800 0.003 0.000 2.566 329 G HA2 -0.061 3.899 3.960 0.000 0.000 0.599 329 G HA3 -0.061 3.899 3.960 0.000 0.000 0.599 329 G C -2.884 172.017 174.900 0.001 0.000 1.292 329 G CA -0.976 44.125 45.100 0.002 0.000 0.922 329 G HN 0.513 nan 8.290 nan 0.000 0.514 330 P HA 0.299 nan 4.420 nan 0.000 0.260 330 P C 0.411 177.711 177.300 -0.000 0.000 1.172 330 P CA 0.020 63.120 63.100 0.000 0.000 0.760 330 P CB 0.248 31.948 31.700 0.000 0.000 0.773 331 L N 3.810 125.032 121.223 -0.002 0.000 2.380 331 L HA 0.082 4.422 4.340 0.000 0.000 0.273 331 L C 1.332 178.200 176.870 -0.003 0.000 1.138 331 L CA 0.142 54.981 54.840 -0.003 0.000 0.832 331 L CB 0.602 42.658 42.059 -0.005 0.000 1.124 331 L HN 0.506 nan 8.230 nan 0.000 0.454 332 D N 1.351 121.750 120.400 -0.002 0.000 2.398 332 D HA 0.070 4.710 4.640 0.000 0.000 0.210 332 D C 0.102 176.399 176.300 -0.005 0.000 1.094 332 D CA 0.083 54.082 54.000 -0.002 0.000 0.839 332 D CB 0.436 41.236 40.800 -0.000 0.000 0.963 332 D HN 0.117 nan 8.370 nan 0.000 0.506 333 V N 0.584 120.494 119.914 -0.007 0.000 2.555 333 V HA 0.789 4.909 4.120 0.000 0.000 0.302 333 V C -0.218 175.868 176.094 -0.013 0.000 1.038 333 V CA -0.930 61.364 62.300 -0.010 0.000 0.887 333 V CB 1.603 33.419 31.823 -0.012 0.000 0.991 333 V HN 0.375 nan 8.190 nan 0.000 0.434 334 A N 3.013 125.823 122.820 -0.016 0.000 2.435 334 A HA 0.736 5.056 4.320 0.000 0.000 0.304 334 A C -0.445 177.126 177.584 -0.021 0.000 1.064 334 A CA -0.767 51.260 52.037 -0.017 0.000 0.727 334 A CB 0.981 19.973 19.000 -0.014 0.000 1.284 334 A HN 0.836 nan 8.150 nan 0.000 0.415 335 E N 0.261 120.447 120.200 -0.023 0.000 2.529 335 E HA 0.307 4.657 4.350 0.000 0.000 0.259 335 E C 1.161 177.746 176.600 -0.024 0.000 0.966 335 E CA 1.338 57.722 56.400 -0.026 0.000 0.937 335 E CB 0.257 29.942 29.700 -0.024 0.000 0.923 335 E HN 1.541 nan 8.360 nan 0.000 0.468 336 G N 3.007 111.790 108.800 -0.028 0.000 2.241 336 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 336 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 336 G C -0.002 174.882 174.900 -0.026 0.000 0.998 336 G CA 0.047 45.131 45.100 -0.026 0.000 0.621 336 G HN 0.573 nan 8.290 nan 0.000 0.519 337 D N 0.913 121.298 120.400 -0.025 0.000 2.368 337 D HA 0.430 5.070 4.640 0.000 0.000 0.240 337 D C 0.656 176.939 176.300 -0.027 0.000 1.169 337 D CA 0.077 54.063 54.000 -0.023 0.000 0.906 337 D CB 0.675 41.463 40.800 -0.020 0.000 1.187 337 D HN 0.512 nan 8.370 nan 0.000 0.435 338 E N -0.341 119.844 120.200 -0.025 0.000 2.313 338 E HA 0.461 4.811 4.350 0.000 0.000 0.276 338 E C -1.300 175.286 176.600 -0.023 0.000 1.031 338 E CA -0.725 55.658 56.400 -0.028 0.000 0.857 338 E CB 0.705 30.389 29.700 -0.028 0.000 1.040 338 E HN 0.404 nan 8.360 nan 0.000 0.408 339 A N 5.796 128.601 122.820 -0.024 0.000 2.318 339 A HA 0.449 4.769 4.320 0.000 0.000 0.317 339 A C -0.513 177.069 177.584 -0.002 0.000 1.159 339 A CA -0.709 51.323 52.037 -0.008 0.000 0.799 339 A CB 0.580 19.573 19.000 -0.012 0.000 1.194 339 A HN 0.654 nan 8.150 nan 0.000 0.479 340 I N 3.931 124.505 120.570 0.007 0.000 2.325 340 I HA 0.127 4.297 4.170 0.000 0.000 0.291 340 I C 0.365 176.504 176.117 0.036 0.000 1.019 340 I CA -0.365 60.926 61.300 -0.015 0.000 1.302 340 I CB 1.328 39.314 38.000 -0.023 0.000 1.401 340 I HN 0.626 nan 8.210 nan 0.000 0.485 341 L N 7.294 128.515 121.223 -0.002 0.000 2.102 341 L HA 0.183 4.523 4.340 0.000 0.000 0.202 341 L C 0.144 177.019 176.870 0.009 0.000 1.076 341 L CA 1.483 56.389 54.840 0.110 0.000 0.761 341 L CB -0.168 41.987 42.059 0.161 0.000 0.921 341 L HN 0.671 nan 8.230 nan 0.000 0.444 342 F N -3.282 116.509 119.950 -0.265 0.000 2.713 342 F HA 0.739 5.266 4.527 -0.000 0.000 0.311 342 F C -0.257 175.427 175.800 -0.193 0.000 1.141 342 F CA -0.543 57.274 58.000 -0.304 0.000 0.939 342 F CB 0.778 39.410 39.000 -0.614 0.000 1.325 342 F HN -0.089 nan 8.300 nan 0.000 0.453 343 G N 0.052 108.931 108.800 0.132 0.000 2.494 343 G HA2 0.482 4.442 3.960 0.000 0.000 0.308 343 G HA3 0.482 4.442 3.960 0.000 0.000 0.308 343 G C -2.967 171.987 174.900 0.090 0.000 1.263 343 G CA -0.591 44.543 45.100 0.058 0.000 0.840 343 G HN 0.416 nan 8.290 nan 0.000 0.479 344 P HA 0.076 nan 4.420 nan 0.000 0.220 344 P C 1.337 178.658 177.300 0.035 0.000 1.148 344 P CA 2.281 65.405 63.100 0.041 0.000 0.803 344 P CB 0.332 32.040 31.700 0.014 0.000 0.782 345 G N -1.087 107.731 108.800 0.030 0.000 2.184 345 G HA2 -0.234 3.726 3.960 0.000 0.000 0.206 345 G HA3 -0.234 3.726 3.960 0.000 0.000 0.206 345 G C 0.918 175.829 174.900 0.018 0.000 0.995 345 G CA 0.170 45.289 45.100 0.031 0.000 0.651 345 G HN 0.282 nan 8.290 nan 0.000 0.511 346 I N 0.213 120.788 120.570 0.008 0.000 2.151 346 I HA -0.158 4.012 4.170 0.000 0.000 0.243 346 I C 2.684 178.803 176.117 0.004 0.000 1.080 346 I CA 1.750 63.050 61.300 0.000 0.000 1.339 346 I CB -0.186 37.808 38.000 -0.010 0.000 1.039 346 I HN 0.155 nan 8.210 nan 0.000 0.409 347 R N 0.479 120.982 120.500 0.004 0.000 2.320 347 R HA 0.128 4.468 4.340 0.000 0.000 0.211 347 R C 1.186 177.495 176.300 0.014 0.000 0.931 347 R CA 0.614 56.717 56.100 0.006 0.000 1.071 347 R CB 0.267 30.567 30.300 0.000 0.000 1.025 347 R HN 0.551 nan 8.270 nan 0.000 0.495 348 G N 1.875 110.687 108.800 0.020 0.000 2.157 348 G HA2 -0.278 3.682 3.960 0.000 0.000 0.248 348 G HA3 -0.278 3.682 3.960 0.000 0.000 0.248 348 G C 0.000 174.924 174.900 0.039 0.000 0.979 348 G CA 0.301 45.418 45.100 0.028 0.000 0.650 348 G HN 0.470 nan 8.290 nan 0.000 0.529 349 E N 0.949 121.171 120.200 0.037 0.000 2.392 349 E HA 0.424 4.774 4.350 0.000 0.000 0.259 349 E C -2.344 174.299 176.600 0.071 0.000 1.108 349 E CA -1.580 54.851 56.400 0.052 0.000 0.916 349 E CB 0.563 30.283 29.700 0.034 0.000 0.989 349 E HN 0.177 nan 8.360 nan 0.000 0.432 350 P HA 0.026 nan 4.420 nan 0.000 0.270 350 P C -0.353 177.004 177.300 0.096 0.000 1.227 350 P CA 0.130 63.299 63.100 0.115 0.000 0.788 350 P CB 0.357 32.167 31.700 0.184 0.000 0.926 351 T N -3.320 111.277 114.554 0.073 0.000 2.952 351 T HA 0.588 4.938 4.350 0.000 0.000 0.286 351 T C 1.219 175.859 174.700 -0.100 0.000 1.024 351 T CA -0.265 61.861 62.100 0.043 0.000 1.029 351 T CB 1.252 70.152 68.868 0.052 0.000 1.094 351 T HN 0.280 nan 8.240 nan 0.000 0.515 352 A N 0.483 123.160 122.820 -0.238 0.000 1.948 352 A HA -0.153 4.168 4.320 0.000 0.000 0.220 352 A C 2.315 179.821 177.584 -0.130 0.000 1.177 352 A CA 2.220 53.943 52.037 -0.522 0.000 0.636 352 A CB -1.248 17.517 19.000 -0.393 0.000 0.815 352 A HN 0.866 nan 8.150 nan 0.000 0.449 353 Q N 0.215 120.025 119.800 0.018 0.000 2.124 353 Q HA -0.168 4.172 4.340 0.000 0.000 0.202 353 Q C 1.338 177.358 176.000 0.033 0.000 0.977 353 Q CA 2.045 57.873 55.803 0.041 0.000 0.850 353 Q CB -0.348 28.433 28.738 0.072 0.000 0.901 353 Q HN 0.644 nan 8.270 nan 0.000 0.429 354 D N -1.106 119.330 120.400 0.060 0.000 2.097 354 D HA -0.159 4.481 4.640 0.000 0.000 0.195 354 D C 1.299 177.712 176.300 0.189 0.000 0.989 354 D CA 0.959 55.026 54.000 0.111 0.000 0.827 354 D CB -0.375 40.510 40.800 0.142 0.000 0.966 354 D HN 0.371 nan 8.370 nan 0.000 0.456 355 W N 1.670 122.914 121.300 -0.094 0.000 2.358 355 W HA -0.003 4.657 4.660 0.001 0.000 0.303 355 W C 2.598 179.007 176.519 -0.183 0.000 1.208 355 W CA 0.923 58.195 57.345 -0.121 0.000 1.274 355 W CB -1.022 28.348 29.460 -0.150 0.000 1.138 355 W HN -0.043 nan 8.180 nan 0.000 0.515 356 A N 0.122 122.975 122.820 0.055 0.000 1.877 356 A HA -0.227 4.094 4.320 0.000 0.000 0.216 356 A C 1.828 179.361 177.584 -0.086 0.000 1.186 356 A CA 2.176 54.170 52.037 -0.071 0.000 0.620 356 A CB -0.920 18.038 19.000 -0.069 0.000 0.822 356 A HN 0.165 nan 8.150 nan 0.000 0.443 357 D N 0.197 120.572 120.400 -0.042 0.000 2.104 357 D HA -0.150 4.490 4.640 0.000 0.000 0.194 357 D C 1.931 178.195 176.300 -0.060 0.000 0.994 357 D CA 1.394 55.368 54.000 -0.043 0.000 0.830 357 D CB -0.420 40.372 40.800 -0.013 0.000 0.959 357 D HN 0.495 nan 8.370 nan 0.000 0.452 358 L N 0.106 121.293 121.223 -0.059 0.000 2.093 358 L HA -0.097 4.244 4.340 0.000 0.000 0.208 358 L C 2.445 179.223 176.870 -0.154 0.000 1.085 358 L CA 0.527 55.309 54.840 -0.096 0.000 0.755 358 L CB -0.299 41.695 42.059 -0.109 0.000 0.904 358 L HN -0.079 nan 8.230 nan 0.000 0.435 359 V N -0.218 119.565 119.914 -0.218 0.000 2.951 359 V HA 0.096 4.216 4.120 0.000 0.000 0.255 359 V C 1.499 177.465 176.094 -0.214 0.000 1.088 359 V CA 1.172 63.301 62.300 -0.286 0.000 1.109 359 V CB -0.387 31.116 31.823 -0.532 0.000 0.724 359 V HN 0.713 nan 8.190 nan 0.000 0.471 360 G N 0.160 108.859 108.800 -0.168 0.000 2.165 360 G HA2 -0.209 3.751 3.960 0.000 0.000 0.226 360 G HA3 -0.209 3.751 3.960 0.000 0.000 0.226 360 G C 0.160 174.978 174.900 -0.137 0.000 1.035 360 G CA 0.500 45.523 45.100 -0.128 0.000 0.744 360 G HN 0.585 nan 8.290 nan 0.000 0.501 361 T N -0.926 113.532 114.554 -0.161 0.000 2.551 361 T HA 0.823 5.173 4.350 0.000 0.000 0.249 361 T C 0.102 174.740 174.700 -0.103 0.000 0.851 361 T CA 0.059 62.075 62.100 -0.140 0.000 1.149 361 T CB 1.020 69.769 68.868 -0.199 0.000 1.456 361 T HN 1.133 nan 8.240 nan 0.000 0.514 362 I N -0.134 120.406 120.570 -0.051 0.000 3.002 362 I HA 0.568 4.738 4.170 0.000 0.000 0.310 362 I C 0.975 177.161 176.117 0.115 0.000 1.087 362 I CA -1.091 60.202 61.300 -0.011 0.000 1.017 362 I CB 1.820 39.869 38.000 0.081 0.000 1.226 362 I HN 0.798 nan 8.210 nan 0.000 0.443 363 H N 1.550 120.698 119.070 0.130 0.000 2.524 363 H HA -0.006 4.550 4.556 0.000 0.000 0.282 363 H C 1.210 176.605 175.328 0.111 0.000 1.016 363 H CA 0.941 57.019 56.048 0.050 0.000 1.270 363 H CB -1.246 28.504 29.762 -0.020 0.000 1.394 363 H HN 0.684 nan 8.280 nan 0.000 0.568 364 Y N 1.385 121.937 120.300 0.419 0.000 2.114 364 Y HA -0.214 4.336 4.550 0.000 0.000 0.282 364 Y C 2.787 178.757 175.900 0.118 0.000 1.165 364 Y CA 1.875 60.099 58.100 0.207 0.000 1.148 364 Y CB -0.350 38.193 38.460 0.138 0.000 0.972 364 Y HN 0.379 nan 8.280 nan 0.000 0.504 365 E N 0.001 120.384 120.200 0.305 0.000 2.150 365 E HA -0.142 4.209 4.350 0.000 0.000 0.193 365 E C 2.152 178.966 176.600 0.356 0.000 0.985 365 E CA 1.077 57.627 56.400 0.250 0.000 0.814 365 E CB -0.060 29.755 29.700 0.191 0.000 0.752 365 E HN 0.264 nan 8.360 nan 0.000 0.466 366 V N 0.993 121.099 119.914 0.320 0.000 2.295 366 V HA -0.250 3.870 4.120 0.000 0.000 0.246 366 V C 2.534 178.781 176.094 0.255 0.000 1.049 366 V CA 1.795 64.321 62.300 0.376 0.000 1.024 366 V CB -0.380 31.497 31.823 0.090 0.000 0.648 366 V HN 0.420 nan 8.190 nan 0.000 0.447 367 V N -0.834 119.180 119.914 0.166 0.000 2.970 367 V HA -0.084 4.036 4.120 0.000 0.000 0.260 367 V C 2.048 178.208 176.094 0.109 0.000 1.100 367 V CA 1.790 64.183 62.300 0.156 0.000 1.122 367 V CB -1.404 30.520 31.823 0.169 0.000 0.721 367 V HN 0.686 nan 8.190 nan 0.000 0.483 368 T N -3.493 111.135 114.554 0.123 0.000 3.188 368 T HA 0.144 4.494 4.350 0.000 0.000 0.250 368 T C 1.639 176.379 174.700 0.067 0.000 1.077 368 T CA 0.836 62.978 62.100 0.070 0.000 0.967 368 T CB 0.354 69.245 68.868 0.038 0.000 1.006 368 T HN 0.445 nan 8.240 nan 0.000 0.552 369 S N 1.702 117.462 115.700 0.099 0.000 2.404 369 S HA 0.214 4.684 4.470 0.000 0.000 0.223 369 S C -1.833 172.757 174.600 -0.017 0.000 1.040 369 S CA -0.398 57.800 58.200 -0.003 0.000 0.957 369 S CB -0.918 62.193 63.200 -0.149 0.000 0.826 369 S HN 0.344 nan 8.310 nan 0.000 0.491 370 P HA 0.104 nan 4.420 nan 0.000 0.262 370 P C -0.150 177.138 177.300 -0.019 0.000 1.182 370 P CA 0.498 63.602 63.100 0.006 0.000 0.761 370 P CB 0.412 32.102 31.700 -0.017 0.000 0.795 371 R N 1.502 121.989 120.500 -0.021 0.000 3.452 371 R HA 0.622 4.962 4.340 0.000 0.000 0.260 371 R C 0.629 176.918 176.300 -0.019 0.000 1.023 371 R CA -0.425 55.663 56.100 -0.021 0.000 0.877 371 R CB -0.503 29.786 30.300 -0.017 0.000 1.574 371 R HN 0.513 nan 8.270 nan 0.000 0.409 372 G N 0.797 109.587 108.800 -0.016 0.000 2.665 372 G HA2 -0.428 3.532 3.960 0.000 0.000 0.326 372 G HA3 -0.428 3.532 3.960 0.000 0.000 0.326 372 G C 0.600 175.489 174.900 -0.018 0.000 1.231 372 G CA 1.096 46.187 45.100 -0.016 0.000 0.992 372 G HN 0.565 nan 8.290 nan 0.000 0.549 373 R N 0.351 120.840 120.500 -0.019 0.000 2.299 373 R HA 0.375 4.715 4.340 0.000 0.000 0.197 373 R C 1.098 177.383 176.300 -0.024 0.000 0.971 373 R CA 0.113 56.201 56.100 -0.020 0.000 1.030 373 R CB -0.024 30.266 30.300 -0.018 0.000 0.932 373 R HN 0.500 nan 8.270 nan 0.000 0.477 374 I N 2.006 122.560 120.570 -0.027 0.000 2.329 374 I HA 0.024 4.194 4.170 0.000 0.000 0.295 374 I C -0.157 175.925 176.117 -0.058 0.000 1.109 374 I CA 0.113 61.386 61.300 -0.044 0.000 1.297 374 I CB 0.797 38.770 38.000 -0.046 0.000 1.433 374 I HN -0.001 nan 8.210 nan 0.000 0.509 375 T N 6.608 121.124 114.554 -0.062 0.000 2.832 375 T HA 0.158 4.508 4.350 0.000 0.000 0.296 375 T C 0.404 175.043 174.700 -0.101 0.000 0.968 375 T CA -0.442 61.620 62.100 -0.063 0.000 1.107 375 T CB 0.691 69.530 68.868 -0.048 0.000 0.916 375 T HN 0.507 nan 8.240 nan 0.000 0.517 376 R N 2.716 123.153 120.500 -0.106 0.000 2.389 376 R HA 0.352 4.692 4.340 0.000 0.000 0.295 376 R C 0.085 176.229 176.300 -0.261 0.000 1.075 376 R CA -0.238 55.743 56.100 -0.199 0.000 1.005 376 R CB 0.280 30.477 30.300 -0.172 0.000 0.987 376 R HN 0.840 nan 8.270 nan 0.000 0.452 377 T N 0.565 114.885 114.554 -0.390 0.000 2.888 377 T HA 0.497 4.847 4.350 0.000 0.000 0.288 377 T C -1.098 173.213 174.700 -0.648 0.000 1.063 377 T CA -0.733 61.163 62.100 -0.340 0.000 1.010 377 T CB 1.235 70.014 68.868 -0.148 0.000 1.214 377 T HN 0.474 nan 8.240 nan 0.000 0.533 378 Y N -0.618 119.682 120.300 -0.001 0.000 2.442 378 Y HA 0.680 5.230 4.550 0.000 0.000 0.344 378 Y C 0.109 176.011 175.900 0.003 0.000 0.976 378 Y CA -1.151 56.954 58.100 0.008 0.000 1.040 378 Y CB 2.225 40.695 38.460 0.016 0.000 1.228 378 Y HN 0.790 nan 8.280 nan 0.000 0.451 379 R N 2.189 122.783 120.500 0.157 0.000 2.338 379 R HA 0.364 4.704 4.340 0.000 0.000 0.317 379 R C -0.738 175.623 176.300 0.102 0.000 0.968 379 R CA -0.480 55.675 56.100 0.091 0.000 0.849 379 R CB 0.751 31.079 30.300 0.046 0.000 1.128 379 R HN 0.517 nan 8.270 nan 0.000 0.448 380 E N 2.290 122.532 120.200 0.071 0.000 2.404 380 E HA 0.161 4.511 4.350 0.000 0.000 0.261 380 E C 0.018 176.642 176.600 0.040 0.000 1.074 380 E CA 0.182 56.612 56.400 0.050 0.000 0.917 380 E CB 0.897 30.614 29.700 0.029 0.000 0.965 380 E HN 0.759 nan 8.360 nan 0.000 0.433 381 A N 0.000 122.839 122.820 0.031 0.000 2.254 381 A HA 0.000 4.320 4.320 0.000 0.000 0.244 381 A CA 0.000 52.054 52.037 0.028 0.000 0.836 381 A CB 0.000 19.015 19.000 0.024 0.000 0.831 381 A HN 0.000 nan 8.150 nan 0.000 0.486