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 1glf_1_O DATA FIRST_RESID 2 DATA SEQUENCE EKKYIVALDQ GTTSSRAVVM DHDANIISVS QREFEQIYPK PGWVEHDPME DATA SEQUENCE IWATQSSTLV EVLAKADISS DQIAAIGITN QRETTIVWEK ETGKPIYNAI DATA SEQUENCE VWQCRRTAEI CEHLKRDGLE DYIRSNTGLV IDPYFSGTKV KWILDHVEGS DATA SEQUENCE RERARRGELL FGTVDTWLIW KMTQGRVHVT DYTNASRTML FNIHTLDWDD DATA SEQUENCE KMLEVLDIPR EMLPEVRRSS EVYGQTNIGG KGGTRIPISG IAGDQQAALF DATA SEQUENCE GQLCVKEGMA KNTYGTGCFM LMNTGEKAVK SENGLLTTIA CGPTGEVNYA DATA SEQUENCE LEGAVFMAGA SIQWLRDEMK LINDAYDSEY FATKVQNTNG VYVVPAFTGL DATA SEQUENCE GAPYWDPYAR GAIFGLTRGV NANHIIRATL ESIAYQTRDV LEAMQADSGI DATA SEQUENCE RLHALRVDGG AVANNFLMQF QSDILGTRVE RPEVREVTAL GAAYLAGLAV DATA SEQUENCE GFWQNLDELQ EKAVIEREFR PGIETTERNY RYAGWKKAVK RAMAWEEH 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.567 176.600 -0.055 0.000 1.382 2 E CA 0.000 56.373 56.400 -0.045 0.000 0.976 2 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 3 K N -0.007 120.377 120.400 -0.027 0.000 5.617 3 K HA -0.253 4.065 4.320 -0.004 0.000 0.401 3 K C -0.122 176.474 176.600 -0.007 0.000 0.978 3 K CA 1.186 57.478 56.287 0.008 0.000 1.200 3 K CB -1.208 31.319 32.500 0.044 0.000 1.863 3 K HN 0.551 nan 8.250 nan 0.000 0.382 4 K N 1.331 121.631 120.400 -0.167 0.000 2.402 4 K HA 0.162 4.479 4.320 -0.004 0.000 0.203 4 K C -0.548 175.970 176.600 -0.137 0.000 1.077 4 K CA 0.633 56.756 56.287 -0.274 0.000 1.051 4 K CB 0.565 32.642 32.500 -0.706 0.000 0.907 4 K HN 0.383 nan 8.250 nan 0.000 0.554 5 Y N -0.891 119.509 120.300 0.166 0.000 2.477 5 Y HA 0.616 5.164 4.550 -0.003 0.000 0.347 5 Y C -0.312 175.414 175.900 -0.290 0.000 0.981 5 Y CA -2.314 55.768 58.100 -0.029 0.000 1.033 5 Y CB 1.758 40.219 38.460 0.002 0.000 1.245 5 Y HN 0.058 nan 8.280 nan 0.000 0.455 6 I N 2.260 122.675 120.570 -0.258 0.000 2.562 6 I HA 0.595 4.763 4.170 -0.004 0.000 0.301 6 I C -1.215 174.859 176.117 -0.072 0.000 1.003 6 I CA -1.032 60.083 61.300 -0.309 0.000 1.127 6 I CB 1.429 39.046 38.000 -0.637 0.000 1.304 6 I HN 0.347 nan 8.210 nan 0.000 0.446 7 V N 6.720 126.608 119.914 -0.043 0.000 2.409 7 V HA 0.578 4.696 4.120 -0.004 0.000 0.291 7 V C 0.099 176.198 176.094 0.008 0.000 1.020 7 V CA -0.474 61.817 62.300 -0.015 0.000 0.848 7 V CB 1.491 33.304 31.823 -0.016 0.000 0.990 7 V HN 0.804 nan 8.190 nan 0.000 0.430 8 A N 5.777 128.606 122.820 0.015 0.000 2.312 8 A HA 0.898 5.216 4.320 -0.004 0.000 0.326 8 A C -1.068 176.528 177.584 0.021 0.000 1.172 8 A CA -0.466 51.586 52.037 0.025 0.000 0.821 8 A CB 0.898 19.910 19.000 0.020 0.000 1.166 8 A HN 0.683 nan 8.150 nan 0.000 0.493 9 L N 1.907 123.148 121.223 0.030 0.000 2.333 9 L HA 0.440 4.778 4.340 -0.004 0.000 0.280 9 L C -0.662 176.233 176.870 0.040 0.000 1.004 9 L CA 0.008 54.866 54.840 0.031 0.000 0.820 9 L CB 1.890 43.971 42.059 0.037 0.000 1.247 9 L HN 0.674 nan 8.230 nan 0.000 0.416 10 D N 2.749 123.176 120.400 0.046 0.000 2.454 10 D HA 0.193 4.831 4.640 -0.004 0.000 0.247 10 D C -0.765 175.588 176.300 0.089 0.000 1.129 10 D CA -0.397 53.641 54.000 0.063 0.000 0.877 10 D CB 1.341 42.178 40.800 0.062 0.000 1.082 10 D HN 0.402 nan 8.370 nan 0.000 0.537 11 Q N 2.942 122.800 119.800 0.097 0.000 2.636 11 Q HA 0.496 4.834 4.340 -0.004 0.000 0.233 11 Q C -0.073 176.041 176.000 0.190 0.000 1.143 11 Q CA -0.780 55.099 55.803 0.127 0.000 0.969 11 Q CB 0.701 29.495 28.738 0.093 0.000 1.185 11 Q HN 0.354 nan 8.270 nan 0.000 0.546 12 G N 0.868 109.809 108.800 0.235 0.000 2.634 12 G HA2 0.179 4.137 3.960 -0.004 0.000 0.255 12 G HA3 0.179 4.137 3.960 -0.004 0.000 0.255 12 G C 0.455 175.625 174.900 0.450 0.000 1.205 12 G CA -0.031 45.242 45.100 0.288 0.000 0.884 12 G HN 0.628 nan 8.290 nan 0.000 0.549 13 T N -1.064 113.751 114.554 0.435 0.000 2.962 13 T HA -0.102 4.246 4.350 -0.004 0.000 0.270 13 T C 2.247 177.108 174.700 0.268 0.000 1.088 13 T CA 1.784 64.201 62.100 0.528 0.000 1.127 13 T CB -0.157 69.056 68.868 0.574 0.000 0.883 13 T HN 0.742 nan 8.240 nan 0.000 0.493 14 T N -1.117 113.483 114.554 0.077 0.000 2.959 14 T HA 0.327 4.675 4.350 -0.004 0.000 0.254 14 T C 0.673 175.123 174.700 -0.417 0.000 1.003 14 T CA 0.288 62.206 62.100 -0.303 0.000 0.950 14 T CB 0.234 69.030 68.868 -0.120 0.000 1.090 14 T HN 0.446 nan 8.240 nan 0.000 0.503 15 S N 0.091 115.848 115.700 0.095 0.000 2.625 15 S HA 0.732 5.199 4.470 -0.004 0.000 0.271 15 S C -1.314 173.546 174.600 0.433 0.000 1.161 15 S CA -0.802 57.572 58.200 0.291 0.000 0.820 15 S CB 1.802 65.078 63.200 0.126 0.000 1.137 15 S HN 0.222 nan 8.310 nan 0.000 0.470 16 S N 0.731 116.619 115.700 0.313 0.000 2.473 16 S HA 0.787 5.255 4.470 -0.004 0.000 0.307 16 S C -0.617 174.042 174.600 0.099 0.000 1.094 16 S CA -0.910 57.389 58.200 0.166 0.000 1.070 16 S CB 1.154 64.391 63.200 0.062 0.000 1.019 16 S HN 0.660 nan 8.310 nan 0.000 0.480 17 R N 1.123 121.668 120.500 0.074 0.000 2.875 17 R HA 0.918 5.256 4.340 -0.004 0.000 0.251 17 R C -0.819 175.492 176.300 0.018 0.000 1.123 17 R CA -0.790 55.335 56.100 0.042 0.000 1.064 17 R CB 0.995 31.321 30.300 0.045 0.000 1.205 17 R HN 0.759 nan 8.270 nan 0.000 0.503 18 A N 0.279 123.101 122.820 0.003 0.000 2.466 18 A HA 0.566 4.884 4.320 -0.004 0.000 0.284 18 A C -1.524 176.052 177.584 -0.014 0.000 1.049 18 A CA -0.636 51.394 52.037 -0.012 0.000 0.760 18 A CB 1.120 20.102 19.000 -0.030 0.000 1.274 18 A HN 0.312 nan 8.150 nan 0.000 0.412 19 V N 2.049 121.956 119.914 -0.011 0.000 2.540 19 V HA 0.587 4.705 4.120 -0.004 0.000 0.302 19 V C -0.272 175.812 176.094 -0.017 0.000 1.035 19 V CA -0.791 61.502 62.300 -0.012 0.000 0.873 19 V CB 1.644 33.466 31.823 -0.001 0.000 0.992 19 V HN 0.640 nan 8.190 nan 0.000 0.428 20 V N 5.853 125.748 119.914 -0.032 0.000 2.370 20 V HA 0.536 4.654 4.120 -0.004 0.000 0.283 20 V C -0.067 176.037 176.094 0.016 0.000 1.023 20 V CA -0.172 62.097 62.300 -0.052 0.000 0.857 20 V CB 1.570 33.302 31.823 -0.152 0.000 0.985 20 V HN 0.889 nan 8.190 nan 0.000 0.443 21 M N 4.473 124.127 119.600 0.090 0.000 2.705 21 M HA 0.520 4.998 4.480 -0.004 0.000 0.311 21 M C -0.450 176.050 176.300 0.333 0.000 1.214 21 M CA -0.448 54.973 55.300 0.201 0.000 0.920 21 M CB 1.820 34.588 32.600 0.281 0.000 1.687 21 M HN 0.790 nan 8.290 nan 0.000 0.481 22 D N -1.468 119.172 120.400 0.400 0.000 2.494 22 D HA 0.154 4.792 4.640 -0.004 0.000 0.259 22 D C 0.478 177.156 176.300 0.630 0.000 1.109 22 D CA -0.306 53.998 54.000 0.506 0.000 1.040 22 D CB 0.142 41.185 40.800 0.404 0.000 1.175 22 D HN 0.747 nan 8.370 nan 0.000 0.584 23 H N -1.101 118.305 119.070 0.559 0.000 2.518 23 H HA -0.040 4.514 4.556 -0.003 0.000 0.289 23 H C 0.208 175.908 175.328 0.620 0.000 1.051 23 H CA 1.563 57.974 56.048 0.605 0.000 1.280 23 H CB 0.099 29.858 29.762 -0.006 0.000 1.380 23 H HN 0.381 nan 8.280 nan 0.000 0.566 24 D N -0.131 120.541 120.400 0.454 0.000 2.319 24 D HA 0.241 4.879 4.640 -0.004 0.000 0.230 24 D C 0.459 176.916 176.300 0.262 0.000 1.094 24 D CA 0.771 54.954 54.000 0.306 0.000 0.856 24 D CB 0.077 41.012 40.800 0.225 0.000 0.915 24 D HN 0.481 nan 8.370 nan 0.000 0.517 25 A N 0.953 124.013 122.820 0.400 0.000 2.739 25 A HA -0.220 4.098 4.320 -0.004 0.000 0.296 25 A C -0.387 177.323 177.584 0.210 0.000 1.488 25 A CA 0.196 52.429 52.037 0.325 0.000 0.746 25 A CB -1.948 17.147 19.000 0.160 0.000 1.047 25 A HN 0.291 nan 8.150 nan 0.000 0.477 26 N N 0.466 119.297 118.700 0.219 0.000 2.417 26 N HA 0.490 5.228 4.740 -0.004 0.000 0.274 26 N C -0.143 175.449 175.510 0.138 0.000 0.987 26 N CA -0.635 52.507 53.050 0.153 0.000 0.912 26 N CB 0.894 39.470 38.487 0.149 0.000 1.177 26 N HN 0.280 nan 8.380 nan 0.000 0.490 27 I N 3.303 123.927 120.570 0.090 0.000 2.671 27 I HA -0.049 4.118 4.170 -0.004 0.000 0.285 27 I C 1.491 177.638 176.117 0.050 0.000 1.148 27 I CA 0.144 61.479 61.300 0.059 0.000 1.386 27 I CB -0.380 37.640 38.000 0.034 0.000 1.406 27 I HN 0.461 nan 8.210 nan 0.000 0.540 28 I N 3.296 123.888 120.570 0.036 0.000 3.860 28 I HA 0.102 4.270 4.170 -0.004 0.000 0.319 28 I C 0.778 176.877 176.117 -0.028 0.000 1.279 28 I CA 0.508 61.816 61.300 0.014 0.000 1.220 28 I CB -0.244 37.749 38.000 -0.013 0.000 1.027 28 I HN 0.622 nan 8.210 nan 0.000 0.428 29 S N -0.114 115.568 115.700 -0.031 0.000 2.669 29 S HA 0.459 4.926 4.470 -0.004 0.000 0.304 29 S C -1.155 173.426 174.600 -0.031 0.000 1.021 29 S CA -0.470 57.706 58.200 -0.040 0.000 0.854 29 S CB 1.149 64.307 63.200 -0.071 0.000 1.048 29 S HN -0.164 nan 8.310 nan 0.000 0.452 30 V N 2.756 122.657 119.914 -0.022 0.000 2.823 30 V HA 0.878 4.996 4.120 -0.004 0.000 0.312 30 V C -0.194 175.890 176.094 -0.016 0.000 1.072 30 V CA -0.669 61.622 62.300 -0.015 0.000 0.937 30 V CB 2.127 33.947 31.823 -0.005 0.000 1.013 30 V HN 0.815 nan 8.190 nan 0.000 0.430 31 S N 2.557 118.250 115.700 -0.012 0.000 2.547 31 S HA 0.690 5.158 4.470 -0.004 0.000 0.281 31 S C -1.127 173.475 174.600 0.003 0.000 1.118 31 S CA -0.809 57.384 58.200 -0.012 0.000 0.947 31 S CB 1.861 65.046 63.200 -0.025 0.000 1.053 31 S HN 0.789 nan 8.310 nan 0.000 0.482 32 Q N 1.363 121.168 119.800 0.009 0.000 2.544 32 Q HA 0.793 5.131 4.340 -0.004 0.000 0.291 32 Q C -1.213 174.804 176.000 0.028 0.000 1.068 32 Q CA -1.230 54.590 55.803 0.028 0.000 0.785 32 Q CB 2.430 31.191 28.738 0.038 0.000 1.481 32 Q HN 0.473 nan 8.270 nan 0.000 0.430 33 R N 0.480 121.012 120.500 0.054 0.000 3.262 33 R HA 0.126 4.464 4.340 -0.004 0.000 0.270 33 R C -1.422 174.945 176.300 0.112 0.000 1.147 33 R CA 0.021 56.157 56.100 0.059 0.000 1.189 33 R CB 1.186 31.514 30.300 0.046 0.000 1.271 33 R HN 0.630 nan 8.270 nan 0.000 0.447 34 E N 3.314 123.549 120.200 0.059 0.000 2.391 34 E HA 0.380 4.727 4.350 -0.004 0.000 0.255 34 E C -0.431 176.202 176.600 0.055 0.000 1.187 34 E CA -0.044 56.356 56.400 0.000 0.000 0.941 34 E CB 0.732 30.389 29.700 -0.072 0.000 1.010 34 E HN 0.375 nan 8.360 nan 0.000 0.458 35 F N -2.218 117.692 119.950 -0.067 0.000 2.641 35 F HA 0.356 4.882 4.527 -0.003 0.000 0.308 35 F C -0.400 175.296 175.800 -0.174 0.000 1.105 35 F CA -1.307 56.630 58.000 -0.105 0.000 0.964 35 F CB 0.717 39.662 39.000 -0.091 0.000 1.294 35 F HN 0.280 nan 8.300 nan 0.000 0.442 36 E N 1.717 121.848 120.200 -0.114 0.000 2.568 36 E HA 0.032 4.380 4.350 -0.004 0.000 0.262 36 E C -0.925 175.465 176.600 -0.349 0.000 0.961 36 E CA 0.277 56.563 56.400 -0.190 0.000 0.945 36 E CB 0.524 30.176 29.700 -0.080 0.000 0.924 36 E HN 0.513 nan 8.360 nan 0.000 0.467 37 Q N 4.215 123.780 119.800 -0.392 0.000 2.381 37 Q HA 0.322 4.660 4.340 -0.004 0.000 0.263 37 Q C -0.487 175.072 176.000 -0.735 0.000 1.030 37 Q CA -0.407 55.068 55.803 -0.547 0.000 0.772 37 Q CB 1.109 29.545 28.738 -0.504 0.000 1.232 37 Q HN 0.514 nan 8.270 nan 0.000 0.476 38 I N 2.654 122.907 120.570 -0.529 0.000 2.342 38 I HA 0.218 4.386 4.170 -0.004 0.000 0.291 38 I C -0.610 175.240 176.117 -0.444 0.000 1.010 38 I CA -0.747 60.297 61.300 -0.427 0.000 1.308 38 I CB 0.272 38.177 38.000 -0.158 0.000 1.400 38 I HN 0.445 nan 8.210 nan 0.000 0.488 39 Y N 6.643 126.970 120.300 0.045 0.000 2.658 39 Y HA 0.304 4.853 4.550 -0.003 0.000 0.362 39 Y C -1.599 174.327 175.900 0.043 0.000 1.017 39 Y CA -2.342 55.793 58.100 0.058 0.000 1.134 39 Y CB -0.136 38.341 38.460 0.030 0.000 1.144 39 Y HN 0.472 nan 8.280 nan 0.000 0.655 40 P HA -0.193 nan 4.420 nan 0.000 0.219 40 P C -0.008 177.281 177.300 -0.019 0.000 1.144 40 P CA 1.434 64.601 63.100 0.111 0.000 0.806 40 P CB 0.586 32.409 31.700 0.205 0.000 0.771 41 K N -2.182 118.177 120.400 -0.067 0.000 2.578 41 K HA 0.372 4.690 4.320 -0.004 0.000 0.269 41 K C -3.362 173.073 176.600 -0.275 0.000 0.941 41 K CA -2.013 54.077 56.287 -0.328 0.000 0.847 41 K CB 1.496 33.533 32.500 -0.772 0.000 1.397 41 K HN -0.388 nan 8.250 nan 0.000 0.422 42 P HA 0.045 nan 4.420 nan 0.000 0.258 42 P C 0.446 177.696 177.300 -0.083 0.000 1.187 42 P CA 1.612 64.642 63.100 -0.116 0.000 0.767 42 P CB 0.443 32.098 31.700 -0.075 0.000 0.770 43 G N 1.400 110.238 108.800 0.064 0.000 2.201 43 G HA2 -0.148 3.810 3.960 -0.004 0.000 0.212 43 G HA3 -0.148 3.810 3.960 -0.004 0.000 0.212 43 G C -0.785 174.405 174.900 0.484 0.000 0.994 43 G CA -0.742 44.497 45.100 0.231 0.000 0.644 43 G HN 0.316 nan 8.290 nan 0.000 0.508 44 W N 0.629 121.922 121.300 -0.012 0.000 2.529 44 W HA 0.775 5.433 4.660 -0.003 0.000 0.321 44 W C -0.089 176.473 176.519 0.072 0.000 1.047 44 W CA -1.637 55.692 57.345 -0.026 0.000 1.216 44 W CB 1.509 30.946 29.460 -0.038 0.000 1.357 44 W HN 0.185 nan 8.180 nan 0.000 0.489 45 V N 2.619 122.641 119.914 0.180 0.000 2.735 45 V HA 0.601 4.719 4.120 -0.004 0.000 0.310 45 V C -0.315 175.775 176.094 -0.007 0.000 1.061 45 V CA -1.125 61.245 62.300 0.117 0.000 0.913 45 V CB 2.040 33.896 31.823 0.054 0.000 1.005 45 V HN 0.521 nan 8.190 nan 0.000 0.428 46 E N 1.491 121.708 120.200 0.029 0.000 2.446 46 E HA 0.726 5.074 4.350 -0.004 0.000 0.276 46 E C -1.706 175.063 176.600 0.281 0.000 0.969 46 E CA -0.912 55.512 56.400 0.040 0.000 0.800 46 E CB 2.521 32.219 29.700 -0.003 0.000 1.341 46 E HN 0.797 nan 8.360 nan 0.000 0.460 47 H N -0.422 118.599 119.070 -0.081 0.000 2.960 47 H HA 0.386 4.940 4.556 -0.004 0.000 0.338 47 H C -1.406 173.858 175.328 -0.107 0.000 1.261 47 H CA -1.043 54.989 56.048 -0.028 0.000 1.136 47 H CB 1.231 31.037 29.762 0.072 0.000 1.875 47 H HN 0.386 nan 8.280 nan 0.000 0.550 48 D N 0.722 121.157 120.400 0.059 0.000 2.344 48 D HA 0.286 4.924 4.640 -0.004 0.000 0.239 48 D C -2.011 174.236 176.300 -0.088 0.000 1.064 48 D CA -2.465 51.504 54.000 -0.052 0.000 0.829 48 D CB 1.936 42.720 40.800 -0.027 0.000 1.129 48 D HN 0.054 nan 8.370 nan 0.000 0.506 49 P HA -0.080 nan 4.420 nan 0.000 0.220 49 P C 1.503 178.855 177.300 0.087 0.000 1.148 49 P CA 0.800 63.673 63.100 -0.377 0.000 0.803 49 P CB 0.171 31.271 31.700 -1.000 0.000 0.782 50 M N -0.799 118.867 119.600 0.110 0.000 2.254 50 M HA -0.074 4.404 4.480 -0.004 0.000 0.265 50 M C 1.981 178.392 176.300 0.185 0.000 1.066 50 M CA 1.455 56.906 55.300 0.252 0.000 1.123 50 M CB -1.507 31.189 32.600 0.159 0.000 1.388 50 M HN 0.063 nan 8.290 nan 0.000 0.425 51 E N 0.089 120.327 120.200 0.063 0.000 2.112 51 E HA -0.061 4.287 4.350 -0.004 0.000 0.190 51 E C 2.069 178.598 176.600 -0.118 0.000 0.979 51 E CA 0.571 56.966 56.400 -0.008 0.000 0.814 51 E CB 0.170 29.870 29.700 -0.001 0.000 0.762 51 E HN 0.412 nan 8.360 nan 0.000 0.460 52 I N 0.660 121.144 120.570 -0.143 0.000 2.226 52 I HA -0.272 3.896 4.170 -0.004 0.000 0.245 52 I C 2.375 178.509 176.117 0.029 0.000 1.100 52 I CA 1.057 62.206 61.300 -0.252 0.000 1.374 52 I CB -0.539 37.356 38.000 -0.175 0.000 1.057 52 I HN 0.433 nan 8.210 nan 0.000 0.413 53 W N 2.377 123.709 121.300 0.052 0.000 2.348 53 W HA -0.287 4.371 4.660 -0.004 0.000 0.324 53 W C 2.716 179.223 176.519 -0.020 0.000 1.209 53 W CA 1.644 59.021 57.345 0.054 0.000 1.275 53 W CB -0.245 29.285 29.460 0.116 0.000 1.175 53 W HN 0.119 nan 8.180 nan 0.000 0.461 54 A N 1.127 123.827 122.820 -0.200 0.000 1.940 54 A HA -0.367 3.951 4.320 -0.004 0.000 0.221 54 A C 1.947 179.354 177.584 -0.296 0.000 1.190 54 A CA 3.849 55.688 52.037 -0.329 0.000 0.647 54 A CB -1.658 17.277 19.000 -0.109 0.000 0.821 54 A HN 0.590 nan 8.150 nan 0.000 0.457 55 T N -3.430 111.008 114.554 -0.192 0.000 2.614 55 T HA -0.229 4.118 4.350 -0.004 0.000 0.263 55 T C 1.913 176.505 174.700 -0.180 0.000 1.055 55 T CA 1.511 63.527 62.100 -0.140 0.000 1.162 55 T CB -0.557 68.274 68.868 -0.061 0.000 0.863 55 T HN 0.288 nan 8.240 nan 0.000 0.414 56 Q N 1.651 121.340 119.800 -0.185 0.000 2.197 56 Q HA -0.141 4.197 4.340 -0.004 0.000 0.211 56 Q C 2.573 178.398 176.000 -0.291 0.000 0.993 56 Q CA 2.091 57.793 55.803 -0.169 0.000 0.883 56 Q CB -0.971 27.718 28.738 -0.081 0.000 0.916 56 Q HN 0.813 nan 8.270 nan 0.000 0.418 57 S N 0.310 115.682 115.700 -0.546 0.000 2.406 57 S HA -0.150 4.318 4.470 -0.004 0.000 0.211 57 S C 1.936 176.340 174.600 -0.327 0.000 1.045 57 S CA 1.504 59.331 58.200 -0.621 0.000 1.058 57 S CB -1.054 61.549 63.200 -0.995 0.000 1.044 57 S HN 0.539 nan 8.310 nan 0.000 0.413 58 S N 2.328 117.860 115.700 -0.280 0.000 2.432 58 S HA -0.260 4.208 4.470 -0.004 0.000 0.243 58 S C 1.871 176.399 174.600 -0.121 0.000 1.069 58 S CA 1.954 60.052 58.200 -0.169 0.000 1.047 58 S CB -1.817 61.298 63.200 -0.141 0.000 0.854 58 S HN 0.693 nan 8.310 nan 0.000 0.474 59 T N 3.052 117.536 114.554 -0.118 0.000 2.674 59 T HA -0.030 4.318 4.350 -0.004 0.000 0.265 59 T C 1.746 176.402 174.700 -0.073 0.000 1.039 59 T CA 1.217 63.271 62.100 -0.076 0.000 1.150 59 T CB -0.737 68.097 68.868 -0.057 0.000 0.864 59 T HN 0.332 nan 8.240 nan 0.000 0.427 60 L N 2.514 123.684 121.223 -0.088 0.000 1.990 60 L HA -0.131 4.207 4.340 -0.004 0.000 0.213 60 L C 2.485 179.311 176.870 -0.073 0.000 1.072 60 L CA 1.751 56.545 54.840 -0.076 0.000 0.755 60 L CB -1.127 40.880 42.059 -0.087 0.000 0.889 60 L HN 0.224 nan 8.230 nan 0.000 0.432 61 V N -0.294 119.568 119.914 -0.087 0.000 2.392 61 V HA -0.287 3.831 4.120 -0.004 0.000 0.249 61 V C 2.601 178.657 176.094 -0.063 0.000 1.059 61 V CA 2.121 64.377 62.300 -0.074 0.000 1.051 61 V CB -1.319 30.452 31.823 -0.086 0.000 0.658 61 V HN 0.722 nan 8.190 nan 0.000 0.455 62 E N 1.143 121.304 120.200 -0.065 0.000 2.072 62 E HA -0.151 4.197 4.350 -0.004 0.000 0.190 62 E C 2.148 178.717 176.600 -0.052 0.000 0.982 62 E CA 1.765 58.133 56.400 -0.054 0.000 0.803 62 E CB -0.010 29.661 29.700 -0.049 0.000 0.755 62 E HN 0.543 nan 8.360 nan 0.000 0.453 63 V N 1.545 121.425 119.914 -0.056 0.000 2.469 63 V HA -0.261 3.857 4.120 -0.004 0.000 0.251 63 V C 2.651 178.699 176.094 -0.078 0.000 1.064 63 V CA 1.300 63.563 62.300 -0.062 0.000 1.066 63 V CB -0.827 30.957 31.823 -0.064 0.000 0.667 63 V HN 0.246 nan 8.190 nan 0.000 0.461 64 L N 0.305 121.483 121.223 -0.075 0.000 1.961 64 L HA -0.143 4.194 4.340 -0.004 0.000 0.210 64 L C 2.967 179.799 176.870 -0.064 0.000 1.072 64 L CA 1.813 56.605 54.840 -0.080 0.000 0.749 64 L CB -1.016 41.008 42.059 -0.058 0.000 0.889 64 L HN 0.385 nan 8.230 nan 0.000 0.432 65 A N 1.160 123.951 122.820 -0.048 0.000 1.863 65 A HA -0.330 3.988 4.320 -0.004 0.000 0.218 65 A C 2.289 179.852 177.584 -0.035 0.000 1.233 65 A CA 2.795 54.810 52.037 -0.036 0.000 0.655 65 A CB -0.900 18.079 19.000 -0.035 0.000 0.839 65 A HN 0.536 nan 8.150 nan 0.000 0.454 66 K N -0.324 120.053 120.400 -0.039 0.000 2.211 66 K HA 0.012 4.330 4.320 -0.004 0.000 0.204 66 K C 1.612 178.190 176.600 -0.037 0.000 1.047 66 K CA 1.591 57.858 56.287 -0.034 0.000 0.935 66 K CB -0.315 32.167 32.500 -0.031 0.000 0.728 66 K HN 0.383 nan 8.250 nan 0.000 0.452 67 A N 1.064 123.850 122.820 -0.056 0.000 2.308 67 A HA 0.052 4.370 4.320 -0.004 0.000 0.217 67 A C 0.109 177.664 177.584 -0.049 0.000 1.216 67 A CA 0.578 52.576 52.037 -0.065 0.000 0.864 67 A CB -0.063 18.877 19.000 -0.100 0.000 0.902 67 A HN 0.538 nan 8.150 nan 0.000 0.499 68 D N -1.944 118.435 120.400 -0.035 0.000 2.981 68 D HA -0.137 4.501 4.640 -0.004 0.000 0.223 68 D C -0.509 175.793 176.300 0.004 0.000 1.151 68 D CA 0.628 54.623 54.000 -0.009 0.000 0.827 68 D CB -1.682 39.123 40.800 0.009 0.000 1.101 68 D HN 0.416 nan 8.370 nan 0.000 0.426 69 I N 0.692 121.241 120.570 -0.035 0.000 2.385 69 I HA 0.302 4.470 4.170 -0.004 0.000 0.294 69 I C 0.741 176.872 176.117 0.023 0.000 0.988 69 I CA -0.172 61.123 61.300 -0.008 0.000 1.265 69 I CB 1.601 39.482 38.000 -0.198 0.000 1.388 69 I HN 0.151 nan 8.210 nan 0.000 0.480 70 S N 2.864 118.608 115.700 0.075 0.000 2.549 70 S HA 0.288 4.756 4.470 -0.004 0.000 0.297 70 S C 1.110 175.748 174.600 0.062 0.000 1.115 70 S CA -0.085 58.145 58.200 0.051 0.000 1.059 70 S CB 1.621 64.845 63.200 0.040 0.000 1.046 70 S HN 0.740 nan 8.310 nan 0.000 0.506 71 S N 1.673 117.395 115.700 0.037 0.000 2.422 71 S HA -0.367 4.101 4.470 -0.004 0.000 0.241 71 S C 1.225 175.854 174.600 0.048 0.000 1.076 71 S CA 2.179 60.401 58.200 0.036 0.000 1.066 71 S CB -1.545 61.666 63.200 0.019 0.000 0.890 71 S HN 0.997 nan 8.310 nan 0.000 0.465 72 D N 0.678 121.105 120.400 0.046 0.000 2.309 72 D HA -0.138 4.500 4.640 -0.004 0.000 0.212 72 D C 1.912 178.244 176.300 0.054 0.000 0.968 72 D CA 1.078 55.103 54.000 0.041 0.000 0.882 72 D CB -0.418 40.399 40.800 0.029 0.000 0.918 72 D HN 0.541 nan 8.370 nan 0.000 0.503 73 Q N -0.457 119.399 119.800 0.092 0.000 2.398 73 Q HA 0.205 4.543 4.340 -0.004 0.000 0.204 73 Q C 0.057 176.153 176.000 0.160 0.000 0.932 73 Q CA 0.105 55.984 55.803 0.127 0.000 0.916 73 Q CB 0.325 29.208 28.738 0.242 0.000 1.024 73 Q HN 0.413 nan 8.270 nan 0.000 0.504 74 I N 0.752 121.406 120.570 0.140 0.000 2.363 74 I HA 0.047 4.215 4.170 -0.004 0.000 0.292 74 I C 0.951 177.096 176.117 0.046 0.000 1.075 74 I CA -0.313 61.047 61.300 0.101 0.000 1.333 74 I CB 1.325 39.364 38.000 0.065 0.000 1.415 74 I HN 0.057 nan 8.210 nan 0.000 0.502 75 A N 5.314 128.148 122.820 0.024 0.000 1.930 75 A HA 0.379 4.697 4.320 -0.004 0.000 0.217 75 A C 1.165 178.740 177.584 -0.015 0.000 1.175 75 A CA 1.610 53.659 52.037 0.020 0.000 0.627 75 A CB -0.093 18.961 19.000 0.089 0.000 0.815 75 A HN 0.851 nan 8.150 nan 0.000 0.443 76 A N -2.305 120.482 122.820 -0.055 0.000 2.483 76 A HA 0.638 4.956 4.320 -0.004 0.000 0.294 76 A C -1.548 176.025 177.584 -0.018 0.000 1.077 76 A CA -0.511 51.513 52.037 -0.021 0.000 0.633 76 A CB 0.168 19.160 19.000 -0.013 0.000 1.318 76 A HN 0.309 nan 8.150 nan 0.000 0.455 77 I N 0.610 121.193 120.570 0.022 0.000 2.498 77 I HA 0.568 4.736 4.170 -0.004 0.000 0.290 77 I C 0.659 176.818 176.117 0.069 0.000 1.032 77 I CA -0.534 60.788 61.300 0.036 0.000 1.073 77 I CB 2.241 40.268 38.000 0.045 0.000 1.251 77 I HN 0.857 nan 8.210 nan 0.000 0.426 78 G N 6.328 115.167 108.800 0.065 0.000 2.437 78 G HA2 0.800 4.758 3.960 -0.004 0.000 0.319 78 G HA3 0.800 4.758 3.960 -0.004 0.000 0.319 78 G C -0.797 174.143 174.900 0.067 0.000 1.158 78 G CA -0.399 44.752 45.100 0.085 0.000 0.899 78 G HN 0.495 nan 8.290 nan 0.000 0.502 79 I N 0.939 121.546 120.570 0.062 0.000 2.548 79 I HA 0.301 4.469 4.170 -0.004 0.000 0.287 79 I C -0.583 175.549 176.117 0.025 0.000 1.103 79 I CA -0.562 60.763 61.300 0.040 0.000 1.049 79 I CB 2.594 40.611 38.000 0.028 0.000 1.232 79 I HN 0.500 nan 8.210 nan 0.000 0.429 80 T N 3.272 117.845 114.554 0.031 0.000 2.893 80 T HA 0.666 5.013 4.350 -0.004 0.000 0.291 80 T C -0.768 173.954 174.700 0.037 0.000 1.028 80 T CA -1.022 61.092 62.100 0.025 0.000 0.995 80 T CB 2.120 71.001 68.868 0.022 0.000 1.051 80 T HN 0.776 nan 8.240 nan 0.000 0.470 81 N N 0.011 118.725 118.700 0.024 0.000 2.708 81 N HA 0.382 5.120 4.740 -0.004 0.000 0.257 81 N C -1.386 174.141 175.510 0.030 0.000 1.373 81 N CA -1.363 51.716 53.050 0.048 0.000 0.843 81 N CB 1.130 39.646 38.487 0.049 0.000 1.503 81 N HN 0.668 nan 8.380 nan 0.000 0.504 82 Q N 0.048 119.904 119.800 0.094 0.000 2.263 82 Q HA 0.234 4.571 4.340 -0.004 0.000 0.270 82 Q C 0.034 176.079 176.000 0.075 0.000 1.104 82 Q CA -0.227 55.650 55.803 0.122 0.000 0.909 82 Q CB 0.972 29.914 28.738 0.340 0.000 1.214 82 Q HN 0.500 nan 8.270 nan 0.000 0.400 83 R N 1.860 122.313 120.500 -0.078 0.000 2.346 83 R HA -0.073 4.265 4.340 -0.004 0.000 0.199 83 R C 0.171 176.463 176.300 -0.014 0.000 1.015 83 R CA 0.647 56.687 56.100 -0.100 0.000 1.058 83 R CB 0.310 30.477 30.300 -0.222 0.000 0.921 83 R HN 0.705 nan 8.270 nan 0.000 0.475 84 E N -1.652 118.650 120.200 0.169 0.000 2.633 84 E HA 0.069 4.417 4.350 -0.004 0.000 0.222 84 E C -0.579 176.184 176.600 0.272 0.000 0.899 84 E CA 0.088 56.629 56.400 0.234 0.000 1.292 84 E CB 1.096 30.976 29.700 0.300 0.000 1.257 84 E HN -0.038 nan 8.360 nan 0.000 0.626 85 T N 1.682 116.417 114.554 0.301 0.000 2.866 85 T HA 0.078 4.426 4.350 -0.004 0.000 0.293 85 T C 0.089 174.808 174.700 0.031 0.000 1.005 85 T CA 0.620 62.806 62.100 0.143 0.000 1.162 85 T CB 0.603 69.540 68.868 0.116 0.000 0.968 85 T HN -0.074 nan 8.240 nan 0.000 0.530 86 T N 4.812 119.372 114.554 0.010 0.000 2.837 86 T HA 0.617 4.965 4.350 -0.004 0.000 0.285 86 T C 0.120 174.770 174.700 -0.083 0.000 0.984 86 T CA -0.453 61.635 62.100 -0.022 0.000 1.049 86 T CB 0.276 69.221 68.868 0.128 0.000 0.947 86 T HN 0.411 nan 8.240 nan 0.000 0.472 87 I N 1.900 122.379 120.570 -0.153 0.000 2.686 87 I HA 0.569 4.737 4.170 -0.004 0.000 0.295 87 I C -0.924 175.293 176.117 0.166 0.000 1.114 87 I CA -1.094 60.157 61.300 -0.082 0.000 1.038 87 I CB 2.463 40.245 38.000 -0.363 0.000 1.238 87 I HN 0.252 nan 8.210 nan 0.000 0.420 88 V N 4.597 124.647 119.914 0.226 0.000 2.445 88 V HA 0.410 4.528 4.120 -0.004 0.000 0.283 88 V C -1.001 175.254 176.094 0.269 0.000 1.014 88 V CA -0.425 62.005 62.300 0.217 0.000 0.852 88 V CB 0.843 32.759 31.823 0.154 0.000 1.021 88 V HN 0.868 nan 8.190 nan 0.000 0.435 89 W N 2.879 124.104 121.300 -0.125 0.000 3.075 89 W HA 0.823 5.481 4.660 -0.004 0.000 0.334 89 W C -0.345 176.109 176.519 -0.108 0.000 1.288 89 W CA -1.067 56.218 57.345 -0.099 0.000 1.095 89 W CB 0.896 30.326 29.460 -0.049 0.000 1.564 89 W HN 0.331 nan 8.180 nan 0.000 0.629 90 E N 1.270 121.589 120.200 0.198 0.000 2.134 90 E HA 0.096 4.444 4.350 -0.004 0.000 0.278 90 E C 0.657 177.324 176.600 0.112 0.000 0.959 90 E CA -0.651 55.788 56.400 0.065 0.000 0.783 90 E CB 2.326 32.094 29.700 0.113 0.000 1.095 90 E HN 0.463 nan 8.360 nan 0.000 0.399 91 K N 2.943 123.322 120.400 -0.035 0.000 2.044 91 K HA -0.243 4.075 4.320 -0.004 0.000 0.210 91 K C 1.186 177.950 176.600 0.275 0.000 1.049 91 K CA 1.621 57.957 56.287 0.081 0.000 0.927 91 K CB 0.231 32.737 32.500 0.009 0.000 0.713 91 K HN 0.497 nan 8.250 nan 0.000 0.443 92 E N -0.567 119.734 120.200 0.168 0.000 1.987 92 E HA -0.168 4.180 4.350 -0.004 0.000 0.200 92 E C 2.016 178.738 176.600 0.203 0.000 0.990 92 E CA 1.826 58.323 56.400 0.162 0.000 0.859 92 E CB -0.502 29.257 29.700 0.098 0.000 0.805 92 E HN 0.492 nan 8.360 nan 0.000 0.499 93 T N -1.404 113.248 114.554 0.164 0.000 2.751 93 T HA -0.211 4.137 4.350 -0.004 0.000 0.268 93 T C 1.657 176.492 174.700 0.226 0.000 1.045 93 T CA 1.601 63.797 62.100 0.160 0.000 1.142 93 T CB -0.824 68.128 68.868 0.141 0.000 0.851 93 T HN 0.603 nan 8.240 nan 0.000 0.474 94 G N 1.804 110.810 108.800 0.344 0.000 2.148 94 G HA2 -0.306 3.652 3.960 -0.004 0.000 0.254 94 G HA3 -0.306 3.652 3.960 -0.004 0.000 0.254 94 G C -0.054 175.042 174.900 0.328 0.000 0.981 94 G CA 0.543 45.931 45.100 0.480 0.000 0.670 94 G HN 1.057 nan 8.290 nan 0.000 0.528 95 K N 0.219 120.784 120.400 0.277 0.000 2.095 95 K HA 0.732 5.049 4.320 -0.004 0.000 0.252 95 K C -2.971 173.763 176.600 0.223 0.000 0.977 95 K CA -2.010 54.409 56.287 0.221 0.000 0.900 95 K CB 2.644 35.234 32.500 0.149 0.000 1.060 95 K HN 0.046 nan 8.250 nan 0.000 0.449 96 P HA 0.257 nan 4.420 nan 0.000 0.287 96 P C -0.061 177.287 177.300 0.081 0.000 1.270 96 P CA -0.652 62.495 63.100 0.077 0.000 0.844 96 P CB 0.655 32.275 31.700 -0.134 0.000 1.068 97 I N -2.155 118.486 120.570 0.118 0.000 3.976 97 I HA 0.479 4.647 4.170 -0.004 0.000 0.337 97 I C -0.451 175.814 176.117 0.247 0.000 1.359 97 I CA -0.190 61.197 61.300 0.146 0.000 1.098 97 I CB -0.253 37.824 38.000 0.130 0.000 1.027 97 I HN 0.109 nan 8.210 nan 0.000 0.394 98 Y N 0.499 120.821 120.300 0.037 0.000 2.452 98 Y HA 0.329 4.876 4.550 -0.004 0.000 0.323 98 Y C -0.635 175.241 175.900 -0.040 0.000 1.244 98 Y CA -1.137 56.985 58.100 0.037 0.000 1.158 98 Y CB 0.776 39.297 38.460 0.101 0.000 1.332 98 Y HN -0.024 nan 8.280 nan 0.000 0.456 99 N N 2.286 120.516 118.700 -0.783 0.000 2.265 99 N HA 0.223 4.961 4.740 -0.004 0.000 0.231 99 N C -0.293 175.098 175.510 -0.198 0.000 1.266 99 N CA 0.980 53.756 53.050 -0.457 0.000 0.862 99 N CB 0.563 38.729 38.487 -0.535 0.000 1.100 99 N HN 0.753 nan 8.380 nan 0.000 0.439 100 A N 1.963 124.653 122.820 -0.218 0.000 2.548 100 A HA 0.154 4.472 4.320 -0.004 0.000 0.247 100 A C 0.477 177.977 177.584 -0.140 0.000 1.067 100 A CA 0.088 52.005 52.037 -0.200 0.000 0.757 100 A CB -0.412 18.428 19.000 -0.266 0.000 0.996 100 A HN 0.612 nan 8.150 nan 0.000 0.504 101 I N 3.590 124.106 120.570 -0.090 0.000 2.315 101 I HA 0.202 4.370 4.170 -0.004 0.000 0.291 101 I C -0.025 175.994 176.117 -0.164 0.000 1.006 101 I CA -0.419 60.810 61.300 -0.118 0.000 1.265 101 I CB 1.536 39.455 38.000 -0.136 0.000 1.387 101 I HN 0.371 nan 8.210 nan 0.000 0.475 102 V N 6.544 126.310 119.914 -0.247 0.000 2.834 102 V HA 0.053 4.171 4.120 -0.004 0.000 0.301 102 V C 1.070 177.008 176.094 -0.260 0.000 1.066 102 V CA -0.412 61.688 62.300 -0.333 0.000 1.052 102 V CB 1.192 32.715 31.823 -0.501 0.000 1.021 102 V HN 0.896 nan 8.190 nan 0.000 0.480 103 W N 1.474 122.769 121.300 -0.008 0.000 2.318 103 W HA -0.252 4.406 4.660 -0.004 0.000 0.313 103 W C 1.627 178.073 176.519 -0.123 0.000 1.221 103 W CA 1.300 58.694 57.345 0.082 0.000 1.266 103 W CB -1.168 28.515 29.460 0.371 0.000 1.150 103 W HN 0.661 nan 8.180 nan 0.000 0.496 104 Q N 0.827 120.110 119.800 -0.862 0.000 2.082 104 Q HA -0.225 4.113 4.340 -0.004 0.000 0.211 104 Q C 1.607 177.320 176.000 -0.480 0.000 1.002 104 Q CA 2.146 57.439 55.803 -0.851 0.000 0.868 104 Q CB -0.539 27.625 28.738 -0.956 0.000 0.931 104 Q HN 0.250 nan 8.270 nan 0.000 0.414 105 C N 0.921 120.004 119.300 -0.361 0.000 2.468 105 C HA -0.157 4.301 4.460 -0.004 0.000 0.389 105 C C 1.153 175.977 174.990 -0.276 0.000 1.384 105 C CA 0.503 59.359 59.018 -0.270 0.000 1.617 105 C CB -0.096 27.451 27.740 -0.321 0.000 2.572 105 C HN 0.477 nan 8.230 nan 0.000 0.592 106 R N 3.721 124.068 120.500 -0.255 0.000 2.549 106 R HA 0.062 4.400 4.340 -0.004 0.000 0.361 106 R C 1.976 178.112 176.300 -0.274 0.000 0.969 106 R CA -0.285 55.694 56.100 -0.202 0.000 1.158 106 R CB -0.320 29.939 30.300 -0.068 0.000 1.456 106 R HN 0.851 nan 8.270 nan 0.000 0.540 107 R N 1.231 121.310 120.500 -0.702 0.000 2.226 107 R HA -0.125 4.212 4.340 -0.004 0.000 0.246 107 R C 1.173 177.300 176.300 -0.289 0.000 1.161 107 R CA 2.131 57.776 56.100 -0.759 0.000 0.997 107 R CB -1.032 28.160 30.300 -1.846 0.000 0.870 107 R HN 0.070 nan 8.270 nan 0.000 0.465 108 T N -2.659 111.752 114.554 -0.238 0.000 3.113 108 T HA 0.292 4.640 4.350 -0.004 0.000 0.256 108 T C 2.049 176.786 174.700 0.061 0.000 1.131 108 T CA 0.478 62.570 62.100 -0.013 0.000 1.074 108 T CB 0.171 69.045 68.868 0.011 0.000 0.944 108 T HN 0.318 nan 8.240 nan 0.000 0.516 109 A N 1.934 124.759 122.820 0.008 0.000 2.042 109 A HA -0.209 4.109 4.320 -0.004 0.000 0.222 109 A C 2.240 179.885 177.584 0.100 0.000 1.167 109 A CA 2.079 54.114 52.037 -0.003 0.000 0.649 109 A CB -0.867 18.044 19.000 -0.149 0.000 0.809 109 A HN 0.770 nan 8.150 nan 0.000 0.457 110 E N 0.032 120.340 120.200 0.179 0.000 2.017 110 E HA -0.182 4.166 4.350 -0.004 0.000 0.193 110 E C 1.828 178.616 176.600 0.313 0.000 0.997 110 E CA 1.547 58.096 56.400 0.249 0.000 0.804 110 E CB -0.338 29.558 29.700 0.326 0.000 0.757 110 E HN 0.620 nan 8.360 nan 0.000 0.448 111 I N 0.658 121.440 120.570 0.352 0.000 2.118 111 I HA -0.389 3.779 4.170 -0.004 0.000 0.241 111 I C 2.633 178.952 176.117 0.337 0.000 1.070 111 I CA 1.097 62.642 61.300 0.408 0.000 1.327 111 I CB -0.437 37.709 38.000 0.242 0.000 1.034 111 I HN 0.404 nan 8.210 nan 0.000 0.405 112 C N 0.525 119.940 119.300 0.191 0.000 2.403 112 C HA -0.205 4.252 4.460 -0.004 0.000 0.279 112 C C 2.736 177.775 174.990 0.081 0.000 1.269 112 C CA 1.221 60.316 59.018 0.129 0.000 1.774 112 C CB -1.063 26.730 27.740 0.088 0.000 1.993 112 C HN 0.479 nan 8.230 nan 0.000 0.496 113 E N -0.225 119.980 120.200 0.007 0.000 2.118 113 E HA -0.153 4.195 4.350 -0.004 0.000 0.195 113 E C 2.028 178.460 176.600 -0.280 0.000 0.992 113 E CA 1.380 57.673 56.400 -0.179 0.000 0.804 113 E CB -0.205 29.391 29.700 -0.174 0.000 0.741 113 E HN 0.725 nan 8.360 nan 0.000 0.458 114 H N -0.878 118.241 119.070 0.082 0.000 2.333 114 H HA -0.062 4.492 4.556 -0.003 0.000 0.302 114 H C 1.888 177.250 175.328 0.056 0.000 1.075 114 H CA 1.064 57.151 56.048 0.064 0.000 1.348 114 H CB -0.248 29.547 29.762 0.055 0.000 1.393 114 H HN 0.146 nan 8.280 nan 0.000 0.509 115 L N 1.634 122.967 121.223 0.183 0.000 2.263 115 L HA -0.183 4.155 4.340 -0.004 0.000 0.216 115 L C 2.252 179.173 176.870 0.086 0.000 1.111 115 L CA 1.351 56.262 54.840 0.119 0.000 0.773 115 L CB -0.646 41.484 42.059 0.118 0.000 0.906 115 L HN 0.183 nan 8.230 nan 0.000 0.439 116 K N -0.992 119.451 120.400 0.072 0.000 2.021 116 K HA -0.050 4.268 4.320 -0.004 0.000 0.205 116 K C 2.153 178.784 176.600 0.053 0.000 1.047 116 K CA 0.311 56.634 56.287 0.060 0.000 0.943 116 K CB -0.277 32.255 32.500 0.054 0.000 0.725 116 K HN 0.154 nan 8.250 nan 0.000 0.439 117 R N 1.678 122.205 120.500 0.044 0.000 2.113 117 R HA -0.185 4.153 4.340 -0.004 0.000 0.244 117 R C 1.217 177.550 176.300 0.055 0.000 1.142 117 R CA 1.941 58.069 56.100 0.047 0.000 0.953 117 R CB -0.311 30.024 30.300 0.057 0.000 0.860 117 R HN 0.205 nan 8.270 nan 0.000 0.438 118 D N -1.758 118.681 120.400 0.065 0.000 2.269 118 D HA -0.002 4.636 4.640 -0.004 0.000 0.208 118 D C 1.238 177.556 176.300 0.030 0.000 0.963 118 D CA 1.370 55.399 54.000 0.049 0.000 0.864 118 D CB 0.099 40.931 40.800 0.054 0.000 0.936 118 D HN 0.588 nan 8.370 nan 0.000 0.505 119 G N 0.237 109.059 108.800 0.037 0.000 2.184 119 G HA2 -0.245 3.713 3.960 -0.004 0.000 0.206 119 G HA3 -0.245 3.713 3.960 -0.004 0.000 0.206 119 G C 0.835 175.760 174.900 0.042 0.000 0.995 119 G CA 0.020 45.140 45.100 0.034 0.000 0.651 119 G HN 0.344 nan 8.290 nan 0.000 0.511 120 L N 0.918 122.169 121.223 0.046 0.000 2.885 120 L HA 0.186 4.524 4.340 -0.004 0.000 0.258 120 L C 2.001 178.934 176.870 0.106 0.000 1.146 120 L CA 0.905 55.786 54.840 0.069 0.000 0.922 120 L CB -0.301 41.791 42.059 0.055 0.000 1.138 120 L HN 0.484 nan 8.230 nan 0.000 0.431 121 E N 0.567 120.819 120.200 0.087 0.000 1.997 121 E HA -0.230 4.118 4.350 -0.004 0.000 0.196 121 E C 1.728 178.382 176.600 0.089 0.000 0.990 121 E CA 1.193 57.641 56.400 0.080 0.000 0.845 121 E CB 0.069 29.804 29.700 0.057 0.000 0.795 121 E HN 0.323 nan 8.360 nan 0.000 0.479 122 D N -0.649 119.795 120.400 0.073 0.000 2.191 122 D HA -0.268 4.370 4.640 -0.004 0.000 0.190 122 D C 1.824 178.155 176.300 0.052 0.000 1.007 122 D CA 1.490 55.520 54.000 0.050 0.000 0.865 122 D CB -0.495 40.326 40.800 0.034 0.000 0.929 122 D HN 0.284 nan 8.370 nan 0.000 0.447 123 Y N 1.077 121.372 120.300 -0.008 0.000 2.014 123 Y HA -0.250 4.298 4.550 -0.004 0.000 0.272 123 Y C 2.530 178.426 175.900 -0.006 0.000 1.164 123 Y CA 2.089 60.184 58.100 -0.008 0.000 1.114 123 Y CB -0.579 37.880 38.460 -0.002 0.000 0.961 123 Y HN 0.022 nan 8.280 nan 0.000 0.489 124 I N 0.178 120.870 120.570 0.203 0.000 2.315 124 I HA -0.339 3.829 4.170 -0.004 0.000 0.251 124 I C 2.567 178.665 176.117 -0.032 0.000 1.125 124 I CA 2.084 63.441 61.300 0.096 0.000 1.392 124 I CB -0.486 37.588 38.000 0.124 0.000 1.065 124 I HN 0.314 nan 8.210 nan 0.000 0.424 125 R N 1.101 121.586 120.500 -0.026 0.000 2.100 125 R HA -0.084 4.254 4.340 -0.004 0.000 0.220 125 R C 2.442 178.695 176.300 -0.078 0.000 1.091 125 R CA 1.449 57.515 56.100 -0.057 0.000 0.986 125 R CB -0.178 30.098 30.300 -0.039 0.000 0.888 125 R HN 0.345 nan 8.270 nan 0.000 0.444 126 S N 0.536 116.173 115.700 -0.104 0.000 2.345 126 S HA -0.093 4.375 4.470 -0.004 0.000 0.220 126 S C 1.566 176.093 174.600 -0.122 0.000 1.031 126 S CA 1.394 59.515 58.200 -0.132 0.000 0.996 126 S CB -0.680 62.421 63.200 -0.165 0.000 0.882 126 S HN 0.532 nan 8.310 nan 0.000 0.445 127 N N 1.318 119.867 118.700 -0.253 0.000 2.300 127 N HA 0.011 4.749 4.740 -0.004 0.000 0.179 127 N C 1.548 177.009 175.510 -0.082 0.000 1.016 127 N CA 1.522 54.458 53.050 -0.189 0.000 0.876 127 N CB -0.207 37.990 38.487 -0.483 0.000 0.979 127 N HN 0.633 nan 8.380 nan 0.000 0.432 128 T N -2.455 112.034 114.554 -0.108 0.000 3.039 128 T HA 0.249 4.596 4.350 -0.004 0.000 0.250 128 T C 1.686 176.327 174.700 -0.098 0.000 1.052 128 T CA 0.507 62.552 62.100 -0.092 0.000 1.125 128 T CB 0.084 68.881 68.868 -0.118 0.000 0.908 128 T HN 0.290 nan 8.240 nan 0.000 0.473 129 G N 1.386 110.135 108.800 -0.084 0.000 2.162 129 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.260 129 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.260 129 G C 0.022 174.852 174.900 -0.116 0.000 0.976 129 G CA 0.222 45.276 45.100 -0.077 0.000 0.655 129 G HN 0.521 nan 8.290 nan 0.000 0.533 130 L N -0.837 120.280 121.223 -0.176 0.000 2.376 130 L HA 0.850 5.188 4.340 -0.004 0.000 0.267 130 L C 0.453 177.232 176.870 -0.151 0.000 1.035 130 L CA -1.200 53.483 54.840 -0.261 0.000 0.800 130 L CB 1.800 43.549 42.059 -0.517 0.000 1.290 130 L HN -0.019 nan 8.230 nan 0.000 0.462 131 V N 0.949 120.801 119.914 -0.102 0.000 2.914 131 V HA 0.394 4.512 4.120 -0.004 0.000 0.314 131 V C -0.093 176.031 176.094 0.050 0.000 1.084 131 V CA -0.707 61.522 62.300 -0.119 0.000 0.963 131 V CB 2.615 34.157 31.823 -0.468 0.000 1.025 131 V HN 0.413 nan 8.190 nan 0.000 0.432 132 I N 4.387 124.986 120.570 0.049 0.000 2.505 132 I HA 0.278 4.446 4.170 -0.004 0.000 0.287 132 I C -0.101 176.108 176.117 0.154 0.000 1.104 132 I CA 0.804 62.181 61.300 0.127 0.000 1.387 132 I CB 0.025 38.089 38.000 0.106 0.000 1.404 132 I HN 0.618 nan 8.210 nan 0.000 0.528 133 D N 8.237 128.767 120.400 0.218 0.000 2.683 133 D HA 0.216 4.854 4.640 -0.004 0.000 0.246 133 D C -2.520 173.848 176.300 0.114 0.000 1.238 133 D CA -1.190 52.912 54.000 0.169 0.000 0.759 133 D CB 3.031 43.961 40.800 0.216 0.000 1.349 133 D HN 0.051 nan 8.370 nan 0.000 0.426 134 P HA 0.019 nan 4.420 nan 0.000 0.249 134 P C 0.857 178.154 177.300 -0.005 0.000 1.241 134 P CA 0.165 63.265 63.100 -0.000 0.000 0.781 134 P CB -0.184 31.469 31.700 -0.079 0.000 1.088 135 Y N 0.295 120.437 120.300 -0.264 0.000 2.314 135 Y HA 0.024 4.573 4.550 -0.003 0.000 0.293 135 Y C 0.376 176.100 175.900 -0.293 0.000 1.129 135 Y CA -0.145 57.728 58.100 -0.379 0.000 1.201 135 Y CB -0.584 37.453 38.460 -0.705 0.000 0.999 135 Y HN -0.202 nan 8.280 nan 0.000 0.541 136 F N 0.096 120.196 119.950 0.249 0.000 2.399 136 F HA 0.246 4.772 4.527 -0.003 0.000 0.334 136 F C 1.804 177.680 175.800 0.127 0.000 1.097 136 F CA -0.726 57.336 58.000 0.103 0.000 1.076 136 F CB 0.965 39.999 39.000 0.057 0.000 1.162 136 F HN -0.218 nan 8.300 nan 0.000 0.495 137 S N 1.211 117.140 115.700 0.381 0.000 2.392 137 S HA -0.244 4.223 4.470 -0.004 0.000 0.232 137 S C 2.310 177.053 174.600 0.239 0.000 1.041 137 S CA 1.296 59.685 58.200 0.315 0.000 1.026 137 S CB -1.199 62.258 63.200 0.429 0.000 0.845 137 S HN 0.907 nan 8.310 nan 0.000 0.465 138 G N 2.802 111.717 108.800 0.193 0.000 2.672 138 G HA2 -0.361 3.597 3.960 -0.004 0.000 0.218 138 G HA3 -0.361 3.597 3.960 -0.004 0.000 0.218 138 G C 1.683 176.647 174.900 0.106 0.000 1.238 138 G CA 2.688 47.849 45.100 0.102 0.000 0.791 138 G HN 0.654 nan 8.290 nan 0.000 0.606 139 T N 0.340 114.978 114.554 0.140 0.000 2.620 139 T HA -0.253 4.095 4.350 -0.004 0.000 0.267 139 T C 2.126 176.916 174.700 0.149 0.000 1.044 139 T CA 1.908 64.092 62.100 0.140 0.000 1.161 139 T CB -0.465 68.487 68.868 0.140 0.000 0.862 139 T HN 0.438 nan 8.240 nan 0.000 0.438 140 K N 0.684 121.155 120.400 0.118 0.000 2.044 140 K HA -0.089 4.229 4.320 -0.004 0.000 0.210 140 K C 2.469 179.171 176.600 0.171 0.000 1.049 140 K CA 1.617 57.954 56.287 0.084 0.000 0.927 140 K CB -0.777 31.759 32.500 0.061 0.000 0.713 140 K HN 0.238 nan 8.250 nan 0.000 0.443 141 V N 1.760 121.773 119.914 0.165 0.000 2.255 141 V HA -0.321 3.797 4.120 -0.004 0.000 0.247 141 V C 2.394 178.558 176.094 0.117 0.000 1.051 141 V CA 2.102 64.489 62.300 0.145 0.000 1.018 141 V CB -0.526 31.320 31.823 0.038 0.000 0.641 141 V HN 0.386 nan 8.190 nan 0.000 0.445 142 K N -1.072 119.384 120.400 0.093 0.000 2.059 142 K HA -0.311 4.007 4.320 -0.004 0.000 0.212 142 K C 1.997 178.661 176.600 0.106 0.000 1.050 142 K CA 2.471 58.799 56.287 0.067 0.000 0.927 142 K CB -0.472 32.068 32.500 0.067 0.000 0.714 142 K HN 0.521 nan 8.250 nan 0.000 0.447 143 W N 1.629 122.923 121.300 -0.010 0.000 2.301 143 W HA -0.259 4.399 4.660 -0.003 0.000 0.325 143 W C 1.758 178.291 176.519 0.023 0.000 1.250 143 W CA 2.411 59.739 57.345 -0.028 0.000 1.261 143 W CB -0.239 29.102 29.460 -0.199 0.000 1.157 143 W HN 0.064 nan 8.180 nan 0.000 0.473 144 I N 0.068 120.861 120.570 0.372 0.000 2.208 144 I HA -0.349 3.818 4.170 -0.004 0.000 0.245 144 I C 2.383 178.532 176.117 0.053 0.000 1.097 144 I CA 1.390 62.816 61.300 0.209 0.000 1.363 144 I CB -1.279 36.831 38.000 0.182 0.000 1.051 144 I HN 0.108 nan 8.210 nan 0.000 0.413 145 L N 0.836 122.084 121.223 0.042 0.000 2.043 145 L HA -0.270 4.068 4.340 -0.004 0.000 0.212 145 L C 2.294 179.106 176.870 -0.097 0.000 1.075 145 L CA 1.555 56.381 54.840 -0.022 0.000 0.752 145 L CB -0.690 41.350 42.059 -0.031 0.000 0.891 145 L HN 0.377 nan 8.230 nan 0.000 0.432 146 D N -1.663 118.652 120.400 -0.142 0.000 2.162 146 D HA -0.137 4.501 4.640 -0.004 0.000 0.203 146 D C 1.954 177.899 176.300 -0.591 0.000 0.967 146 D CA 1.117 54.906 54.000 -0.353 0.000 0.840 146 D CB -0.397 40.128 40.800 -0.459 0.000 0.972 146 D HN 0.462 nan 8.370 nan 0.000 0.482 147 H N 0.859 119.592 119.070 -0.563 0.000 2.395 147 H HA 0.065 4.619 4.556 -0.003 0.000 0.299 147 H C 0.748 175.935 175.328 -0.235 0.000 1.070 147 H CA 0.109 55.841 56.048 -0.527 0.000 1.356 147 H CB -0.595 28.639 29.762 -0.880 0.000 1.401 147 H HN -0.053 nan 8.280 nan 0.000 0.524 148 V N 1.948 121.833 119.914 -0.048 0.000 2.455 148 V HA 0.030 4.148 4.120 -0.004 0.000 0.273 148 V C 1.258 177.326 176.094 -0.044 0.000 1.045 148 V CA -0.517 61.783 62.300 0.001 0.000 0.976 148 V CB 1.160 33.018 31.823 0.059 0.000 0.993 148 V HN 0.178 nan 8.190 nan 0.000 0.475 149 E N 4.387 124.566 120.200 -0.035 0.000 2.146 149 E HA -0.237 4.111 4.350 -0.004 0.000 0.241 149 E C 1.632 178.201 176.600 -0.051 0.000 0.937 149 E CA 2.356 58.728 56.400 -0.046 0.000 0.916 149 E CB -0.426 29.262 29.700 -0.019 0.000 0.884 149 E HN 0.975 nan 8.360 nan 0.000 0.561 150 G N -1.048 107.733 108.800 -0.031 0.000 4.198 150 G HA2 0.259 4.216 3.960 -0.004 0.000 0.282 150 G HA3 0.259 4.216 3.960 -0.004 0.000 0.282 150 G C 0.500 175.382 174.900 -0.030 0.000 1.262 150 G CA 0.223 45.302 45.100 -0.035 0.000 1.473 150 G HN 0.141 nan 8.290 nan 0.000 0.624 151 S N 0.594 116.273 115.700 -0.036 0.000 2.338 151 S HA -0.104 4.364 4.470 -0.004 0.000 0.218 151 S C 2.443 177.020 174.600 -0.040 0.000 1.032 151 S CA 0.564 58.746 58.200 -0.029 0.000 0.999 151 S CB -0.147 63.038 63.200 -0.023 0.000 0.905 151 S HN 0.537 nan 8.310 nan 0.000 0.439 152 R N 0.808 121.278 120.500 -0.050 0.000 2.133 152 R HA -0.160 4.177 4.340 -0.004 0.000 0.247 152 R C 2.168 178.439 176.300 -0.049 0.000 1.151 152 R CA 1.373 57.441 56.100 -0.055 0.000 0.971 152 R CB -0.228 30.036 30.300 -0.060 0.000 0.866 152 R HN 0.287 nan 8.270 nan 0.000 0.447 153 E N 0.295 120.470 120.200 -0.042 0.000 2.000 153 E HA -0.194 4.154 4.350 -0.004 0.000 0.199 153 E C 1.923 178.502 176.600 -0.034 0.000 1.011 153 E CA 1.607 57.986 56.400 -0.035 0.000 0.836 153 E CB -0.275 29.409 29.700 -0.028 0.000 0.778 153 E HN 0.337 nan 8.360 nan 0.000 0.462 154 R N 0.563 121.045 120.500 -0.031 0.000 2.200 154 R HA 0.005 4.342 4.340 -0.004 0.000 0.234 154 R C 2.159 178.430 176.300 -0.047 0.000 1.127 154 R CA 1.030 57.111 56.100 -0.032 0.000 0.989 154 R CB -0.406 29.879 30.300 -0.025 0.000 0.869 154 R HN 0.135 nan 8.270 nan 0.000 0.459 155 A N 1.921 124.709 122.820 -0.053 0.000 1.873 155 A HA -0.140 4.178 4.320 -0.004 0.000 0.215 155 A C 2.072 179.616 177.584 -0.067 0.000 1.186 155 A CA 1.083 53.077 52.037 -0.070 0.000 0.616 155 A CB -0.209 18.749 19.000 -0.070 0.000 0.823 155 A HN 0.231 nan 8.150 nan 0.000 0.442 156 R N -0.899 119.569 120.500 -0.055 0.000 2.193 156 R HA 0.097 4.435 4.340 -0.004 0.000 0.213 156 R C 1.726 178.003 176.300 -0.038 0.000 1.055 156 R CA 0.866 56.937 56.100 -0.048 0.000 0.995 156 R CB -0.157 30.117 30.300 -0.043 0.000 0.893 156 R HN 0.312 nan 8.270 nan 0.000 0.459 157 R N 0.083 120.562 120.500 -0.035 0.000 2.328 157 R HA 0.076 4.414 4.340 -0.004 0.000 0.206 157 R C 0.769 177.053 176.300 -0.026 0.000 0.990 157 R CA 0.632 56.717 56.100 -0.025 0.000 1.085 157 R CB 0.155 30.443 30.300 -0.019 0.000 0.998 157 R HN 0.466 nan 8.270 nan 0.000 0.484 158 G N 0.334 109.112 108.800 -0.037 0.000 3.586 158 G HA2 -0.407 3.551 3.960 -0.004 0.000 0.212 158 G HA3 -0.407 3.551 3.960 -0.004 0.000 0.212 158 G C 0.828 175.687 174.900 -0.069 0.000 1.411 158 G CA 0.117 45.192 45.100 -0.041 0.000 0.898 158 G HN 0.439 nan 8.290 nan 0.000 0.575 159 E N 0.485 120.652 120.200 -0.055 0.000 2.641 159 E HA -0.281 4.067 4.350 -0.004 0.000 0.262 159 E C 0.901 177.435 176.600 -0.109 0.000 1.187 159 E CA 1.843 58.209 56.400 -0.057 0.000 1.187 159 E CB -0.594 29.087 29.700 -0.033 0.000 1.002 159 E HN 0.682 nan 8.360 nan 0.000 0.424 160 L N 0.394 121.526 121.223 -0.152 0.000 2.346 160 L HA 0.506 4.844 4.340 -0.004 0.000 0.276 160 L C -0.277 176.367 176.870 -0.377 0.000 1.006 160 L CA -0.835 53.861 54.840 -0.239 0.000 0.817 160 L CB 1.286 43.257 42.059 -0.146 0.000 1.272 160 L HN -0.113 nan 8.230 nan 0.000 0.421 161 L N 2.133 122.921 121.223 -0.726 0.000 2.322 161 L HA 0.606 4.944 4.340 -0.004 0.000 0.269 161 L C -0.722 175.602 176.870 -0.910 0.000 1.012 161 L CA -0.255 53.968 54.840 -1.027 0.000 0.815 161 L CB 1.957 42.843 42.059 -1.954 0.000 1.295 161 L HN 0.420 nan 8.230 nan 0.000 0.438 162 F N 0.247 119.757 119.950 -0.733 0.000 2.563 162 F HA 0.901 5.425 4.527 -0.004 0.000 0.316 162 F C -0.167 175.601 175.800 -0.053 0.000 1.076 162 F CA -0.509 57.288 58.000 -0.339 0.000 0.921 162 F CB 2.107 41.004 39.000 -0.172 0.000 1.209 162 F HN 0.418 nan 8.300 nan 0.000 0.462 163 G N 2.098 110.478 108.800 -0.701 0.000 2.667 163 G HA2 0.477 4.434 3.960 -0.004 0.000 0.294 163 G HA3 0.477 4.434 3.960 -0.004 0.000 0.294 163 G C -1.401 173.067 174.900 -0.720 0.000 1.467 163 G CA -0.563 44.255 45.100 -0.471 0.000 0.852 163 G HN 0.798 nan 8.290 nan 0.000 0.521 164 T N -0.020 114.264 114.554 -0.449 0.000 2.793 164 T HA 0.356 4.704 4.350 -0.004 0.000 0.299 164 T C 1.906 176.589 174.700 -0.028 0.000 1.038 164 T CA -0.052 61.934 62.100 -0.189 0.000 0.948 164 T CB 0.983 69.831 68.868 -0.032 0.000 1.231 164 T HN 0.343 nan 8.240 nan 0.000 0.538 165 V N 2.039 121.965 119.914 0.020 0.000 2.220 165 V HA -0.221 3.897 4.120 -0.004 0.000 0.246 165 V C 2.652 178.822 176.094 0.127 0.000 1.049 165 V CA 2.421 64.773 62.300 0.087 0.000 1.003 165 V CB -1.167 30.708 31.823 0.086 0.000 0.634 165 V HN 0.995 nan 8.190 nan 0.000 0.444 166 D N -0.186 120.256 120.400 0.070 0.000 2.133 166 D HA -0.239 4.399 4.640 -0.004 0.000 0.192 166 D C 1.944 178.284 176.300 0.067 0.000 1.001 166 D CA 2.224 56.247 54.000 0.039 0.000 0.844 166 D CB -1.261 39.523 40.800 -0.026 0.000 0.944 166 D HN 0.396 nan 8.370 nan 0.000 0.447 167 T N -0.336 114.285 114.554 0.112 0.000 2.607 167 T HA -0.219 4.129 4.350 -0.004 0.000 0.267 167 T C 1.403 176.262 174.700 0.266 0.000 1.049 167 T CA 1.608 63.849 62.100 0.235 0.000 1.162 167 T CB -0.703 68.356 68.868 0.318 0.000 0.863 167 T HN 0.411 nan 8.240 nan 0.000 0.424 168 W N 0.979 122.251 121.300 -0.047 0.000 2.342 168 W HA -0.139 4.519 4.660 -0.003 0.000 0.297 168 W C 1.726 178.119 176.519 -0.209 0.000 1.213 168 W CA 0.684 57.825 57.345 -0.340 0.000 1.251 168 W CB -0.370 28.807 29.460 -0.472 0.000 1.136 168 W HN 0.185 nan 8.180 nan 0.000 0.526 169 L N 0.701 121.874 121.223 -0.083 0.000 2.049 169 L HA -0.093 4.245 4.340 -0.004 0.000 0.203 169 L C 2.471 179.267 176.870 -0.123 0.000 1.074 169 L CA 1.549 56.333 54.840 -0.094 0.000 0.749 169 L CB -1.527 40.608 42.059 0.127 0.000 0.907 169 L HN -0.131 nan 8.230 nan 0.000 0.439 170 I N -2.053 118.507 120.570 -0.017 0.000 2.264 170 I HA -0.358 3.810 4.170 -0.004 0.000 0.248 170 I C 2.275 178.388 176.117 -0.008 0.000 1.111 170 I CA 1.334 62.636 61.300 0.004 0.000 1.382 170 I CB -0.279 37.735 38.000 0.024 0.000 1.060 170 I HN 0.401 nan 8.210 nan 0.000 0.418 171 W N 1.778 122.962 121.300 -0.194 0.000 2.342 171 W HA -0.212 4.446 4.660 -0.004 0.000 0.297 171 W C 2.416 178.682 176.519 -0.423 0.000 1.213 171 W CA 1.515 58.737 57.345 -0.204 0.000 1.251 171 W CB 0.021 29.402 29.460 -0.132 0.000 1.136 171 W HN -0.093 nan 8.180 nan 0.000 0.526 172 K N -0.554 119.553 120.400 -0.488 0.000 2.167 172 K HA -0.068 4.250 4.320 -0.004 0.000 0.203 172 K C 1.785 177.975 176.600 -0.684 0.000 1.052 172 K CA 1.575 57.293 56.287 -0.949 0.000 0.956 172 K CB -0.361 30.967 32.500 -1.953 0.000 0.735 172 K HN 0.301 nan 8.250 nan 0.000 0.451 173 M N 0.302 119.696 119.600 -0.344 0.000 2.595 173 M HA -0.012 4.466 4.480 -0.004 0.000 0.248 173 M C 1.368 177.607 176.300 -0.101 0.000 1.119 173 M CA 0.963 56.235 55.300 -0.047 0.000 1.079 173 M CB -0.177 32.502 32.600 0.131 0.000 1.472 173 M HN -0.065 nan 8.290 nan 0.000 0.501 174 T N -3.179 111.254 114.554 -0.201 0.000 3.215 174 T HA 0.196 4.544 4.350 -0.004 0.000 0.271 174 T C 0.569 175.073 174.700 -0.327 0.000 1.012 174 T CA -0.426 61.556 62.100 -0.196 0.000 0.899 174 T CB 0.149 68.930 68.868 -0.144 0.000 1.089 174 T HN 0.390 nan 8.240 nan 0.000 0.552 175 Q N -0.074 119.482 119.800 -0.407 0.000 2.348 175 Q HA -0.273 4.065 4.340 -0.004 0.000 0.221 175 Q C 1.330 176.886 176.000 -0.740 0.000 0.735 175 Q CA 1.678 57.201 55.803 -0.466 0.000 1.351 175 Q CB -2.347 26.222 28.738 -0.281 0.000 1.640 175 Q HN 1.373 nan 8.270 nan 0.000 0.667 176 G N -0.632 107.535 108.800 -1.055 0.000 2.218 176 G HA2 -0.334 3.624 3.960 -0.004 0.000 0.216 176 G HA3 -0.334 3.624 3.960 -0.004 0.000 0.216 176 G C 0.909 175.367 174.900 -0.737 0.000 0.994 176 G CA 0.385 44.481 45.100 -1.674 0.000 0.637 176 G HN 0.341 nan 8.290 nan 0.000 0.505 177 R N -0.013 120.229 120.500 -0.431 0.000 2.096 177 R HA 0.065 4.403 4.340 -0.004 0.000 0.240 177 R C 1.126 177.384 176.300 -0.070 0.000 1.139 177 R CA 1.716 57.709 56.100 -0.179 0.000 0.952 177 R CB -0.310 29.915 30.300 -0.125 0.000 0.854 177 R HN 0.377 nan 8.270 nan 0.000 0.436 178 V N 0.672 120.544 119.914 -0.070 0.000 2.539 178 V HA 0.105 4.223 4.120 -0.004 0.000 0.292 178 V C 0.097 176.392 176.094 0.335 0.000 1.045 178 V CA -0.461 61.900 62.300 0.102 0.000 0.945 178 V CB 1.458 33.335 31.823 0.089 0.000 0.993 178 V HN 0.333 nan 8.190 nan 0.000 0.464 179 H N 2.949 122.168 119.070 0.248 0.000 2.616 179 H HA 0.527 5.081 4.556 -0.004 0.000 0.229 179 H C -1.043 174.399 175.328 0.190 0.000 1.418 179 H CA -0.225 56.011 56.048 0.312 0.000 1.248 179 H CB 1.358 31.306 29.762 0.310 0.000 1.822 179 H HN 0.490 nan 8.280 nan 0.000 0.522 180 V N 0.859 120.861 119.914 0.147 0.000 3.211 180 V HA 0.526 4.644 4.120 -0.004 0.000 0.319 180 V C -0.027 176.038 176.094 -0.049 0.000 1.096 180 V CA -0.143 62.155 62.300 -0.002 0.000 1.029 180 V CB 2.136 33.961 31.823 0.002 0.000 1.137 180 V HN 0.592 nan 8.190 nan 0.000 0.453 181 T N 1.381 115.861 114.554 -0.123 0.000 2.957 181 T HA 0.303 4.651 4.350 -0.004 0.000 0.336 181 T C -1.570 172.969 174.700 -0.268 0.000 1.462 181 T CA -0.651 61.360 62.100 -0.150 0.000 1.073 181 T CB 1.339 70.195 68.868 -0.020 0.000 1.319 181 T HN 0.978 nan 8.240 nan 0.000 0.485 182 D N 1.810 122.036 120.400 -0.291 0.000 2.466 182 D HA 0.248 4.886 4.640 -0.004 0.000 0.262 182 D C 0.753 176.799 176.300 -0.424 0.000 1.177 182 D CA -0.294 53.490 54.000 -0.359 0.000 1.035 182 D CB 0.474 41.140 40.800 -0.224 0.000 1.105 182 D HN 0.490 nan 8.370 nan 0.000 0.551 183 Y N 0.040 120.191 120.300 -0.249 0.000 2.090 183 Y HA -0.205 4.343 4.550 -0.004 0.000 0.274 183 Y C 2.955 178.623 175.900 -0.388 0.000 1.110 183 Y CA 2.298 60.168 58.100 -0.384 0.000 1.092 183 Y CB -1.477 36.839 38.460 -0.239 0.000 0.992 183 Y HN 0.631 nan 8.280 nan 0.000 0.479 184 T N -0.915 113.605 114.554 -0.057 0.000 2.578 184 T HA -0.438 3.909 4.350 -0.004 0.000 0.252 184 T C 1.645 176.267 174.700 -0.129 0.000 1.192 184 T CA 2.373 64.418 62.100 -0.091 0.000 1.143 184 T CB -1.374 67.449 68.868 -0.075 0.000 0.848 184 T HN 0.449 nan 8.240 nan 0.000 0.450 185 N N 2.016 120.637 118.700 -0.132 0.000 2.043 185 N HA 0.047 4.785 4.740 -0.004 0.000 0.193 185 N C 2.456 177.897 175.510 -0.115 0.000 1.037 185 N CA 1.471 54.460 53.050 -0.103 0.000 0.851 185 N CB -0.648 37.792 38.487 -0.078 0.000 1.027 185 N HN 0.644 nan 8.380 nan 0.000 0.422 186 A N 0.722 123.388 122.820 -0.257 0.000 1.948 186 A HA -0.244 4.074 4.320 -0.004 0.000 0.220 186 A C 2.253 179.641 177.584 -0.326 0.000 1.177 186 A CA 2.213 54.025 52.037 -0.374 0.000 0.636 186 A CB -1.093 17.226 19.000 -1.134 0.000 0.815 186 A HN 0.470 nan 8.150 nan 0.000 0.449 187 S N 0.101 115.589 115.700 -0.354 0.000 2.372 187 S HA -0.239 4.229 4.470 -0.004 0.000 0.227 187 S C 1.754 176.285 174.600 -0.115 0.000 1.044 187 S CA 1.317 59.445 58.200 -0.120 0.000 1.050 187 S CB -0.579 62.572 63.200 -0.081 0.000 0.901 187 S HN 0.553 nan 8.310 nan 0.000 0.447 188 R N 1.843 122.266 120.500 -0.129 0.000 2.377 188 R HA 0.011 4.349 4.340 -0.004 0.000 0.207 188 R C 2.163 178.441 176.300 -0.036 0.000 1.075 188 R CA 1.293 57.303 56.100 -0.150 0.000 1.035 188 R CB -1.375 28.892 30.300 -0.056 0.000 0.857 188 R HN 0.881 nan 8.270 nan 0.000 0.475 189 T N -3.703 110.882 114.554 0.052 0.000 3.054 189 T HA 0.060 4.408 4.350 -0.004 0.000 0.259 189 T C 1.375 176.145 174.700 0.116 0.000 1.092 189 T CA 0.385 62.597 62.100 0.186 0.000 1.121 189 T CB 0.100 69.154 68.868 0.310 0.000 0.912 189 T HN 0.215 nan 8.240 nan 0.000 0.489 190 M N -0.762 118.833 119.600 -0.008 0.000 2.939 190 M HA -0.189 4.289 4.480 -0.004 0.000 0.194 190 M C 0.195 176.557 176.300 0.103 0.000 0.617 190 M CA 0.601 55.882 55.300 -0.033 0.000 0.734 190 M CB -1.443 31.160 32.600 0.004 0.000 2.637 190 M HN 0.392 nan 8.290 nan 0.000 0.316 191 L N -1.133 120.212 121.223 0.204 0.000 2.408 191 L HA 0.236 4.574 4.340 -0.004 0.000 0.215 191 L C 0.625 177.783 176.870 0.481 0.000 1.081 191 L CA 0.159 55.159 54.840 0.267 0.000 0.840 191 L CB 0.255 42.403 42.059 0.148 0.000 1.002 191 L HN 0.395 nan 8.230 nan 0.000 0.468 192 F N 0.561 120.701 119.950 0.316 0.000 2.469 192 F HA 0.360 4.885 4.527 -0.003 0.000 0.332 192 F C 0.209 175.994 175.800 -0.025 0.000 1.103 192 F CA -1.133 56.946 58.000 0.132 0.000 0.979 192 F CB 0.798 39.688 39.000 -0.183 0.000 1.137 192 F HN -0.197 nan 8.300 nan 0.000 0.463 193 N N 6.497 124.842 118.700 -0.591 0.000 2.420 193 N HA 0.051 4.788 4.740 -0.004 0.000 0.262 193 N C 1.223 176.376 175.510 -0.595 0.000 1.144 193 N CA 0.086 52.852 53.050 -0.474 0.000 0.952 193 N CB 0.652 38.953 38.487 -0.309 0.000 1.081 193 N HN 0.904 nan 8.380 nan 0.000 0.480 194 I N 1.595 121.976 120.570 -0.315 0.000 2.676 194 I HA -0.091 4.077 4.170 -0.004 0.000 0.259 194 I C 0.672 176.467 176.117 -0.536 0.000 1.194 194 I CA 0.900 62.016 61.300 -0.307 0.000 1.473 194 I CB -0.153 37.750 38.000 -0.161 0.000 1.096 194 I HN 0.428 nan 8.210 nan 0.000 0.443 195 H N 0.222 119.244 119.070 -0.080 0.000 2.370 195 H HA 0.025 4.579 4.556 -0.004 0.000 0.304 195 H C 2.333 177.599 175.328 -0.103 0.000 1.055 195 H CA 1.628 57.644 56.048 -0.055 0.000 1.373 195 H CB -0.370 29.331 29.762 -0.102 0.000 1.423 195 H HN 0.142 nan 8.280 nan 0.000 0.533 196 T N 0.243 114.759 114.554 -0.062 0.000 2.720 196 T HA -0.089 4.259 4.350 -0.004 0.000 0.268 196 T C 0.214 174.781 174.700 -0.222 0.000 1.037 196 T CA 1.281 63.299 62.100 -0.137 0.000 1.144 196 T CB -0.147 68.613 68.868 -0.179 0.000 0.864 196 T HN 0.205 nan 8.240 nan 0.000 0.444 197 L N 1.163 122.150 121.223 -0.394 0.000 4.447 197 L HA -0.074 4.264 4.340 -0.004 0.000 0.400 197 L C -0.177 176.377 176.870 -0.526 0.000 1.110 197 L CA 1.099 55.721 54.840 -0.363 0.000 1.010 197 L CB -2.288 39.688 42.059 -0.139 0.000 2.154 197 L HN 0.642 nan 8.230 nan 0.000 0.685 198 D N -2.047 117.773 120.400 -0.965 0.000 2.599 198 D HA 0.176 4.814 4.640 -0.004 0.000 0.252 198 D C -0.192 175.656 176.300 -0.752 0.000 1.232 198 D CA -0.639 52.897 54.000 -0.773 0.000 0.819 198 D CB 0.693 41.340 40.800 -0.255 0.000 1.401 198 D HN 0.014 nan 8.370 nan 0.000 0.429 199 W N 1.357 122.590 121.300 -0.111 0.000 2.551 199 W HA 0.029 4.686 4.660 -0.004 0.000 0.336 199 W C 0.975 177.450 176.519 -0.073 0.000 1.158 199 W CA -0.051 57.287 57.345 -0.012 0.000 1.258 199 W CB 0.177 29.671 29.460 0.056 0.000 1.157 199 W HN 0.125 nan 8.180 nan 0.000 0.562 200 D N 4.157 124.677 120.400 0.199 0.000 2.365 200 D HA -0.039 4.599 4.640 -0.004 0.000 0.237 200 D C 0.765 177.158 176.300 0.155 0.000 1.190 200 D CA -0.119 53.960 54.000 0.131 0.000 0.867 200 D CB 0.735 41.606 40.800 0.118 0.000 1.050 200 D HN 0.550 nan 8.370 nan 0.000 0.491 201 D N 3.291 123.762 120.400 0.118 0.000 2.264 201 D HA -0.193 4.445 4.640 -0.004 0.000 0.208 201 D C 1.578 177.908 176.300 0.050 0.000 0.966 201 D CA 0.507 54.552 54.000 0.075 0.000 0.864 201 D CB 0.204 41.037 40.800 0.054 0.000 0.933 201 D HN 0.129 nan 8.370 nan 0.000 0.499 202 K N 0.319 120.763 120.400 0.073 0.000 2.001 202 K HA -0.138 4.180 4.320 -0.004 0.000 0.214 202 K C 1.745 178.336 176.600 -0.016 0.000 1.050 202 K CA 1.135 57.414 56.287 -0.014 0.000 0.934 202 K CB -0.625 31.843 32.500 -0.053 0.000 0.718 202 K HN 0.098 nan 8.250 nan 0.000 0.443 203 M N 0.596 120.240 119.600 0.073 0.000 3.554 203 M HA -0.202 4.276 4.480 -0.004 0.000 0.291 203 M C 2.341 178.655 176.300 0.024 0.000 1.046 203 M CA 1.501 56.847 55.300 0.076 0.000 1.059 203 M CB -1.488 31.197 32.600 0.143 0.000 1.183 203 M HN 0.189 nan 8.290 nan 0.000 0.607 204 L N -0.183 121.053 121.223 0.021 0.000 2.328 204 L HA -0.311 4.027 4.340 -0.004 0.000 0.219 204 L C 2.415 179.262 176.870 -0.038 0.000 1.088 204 L CA 1.939 56.761 54.840 -0.031 0.000 0.795 204 L CB -0.651 41.391 42.059 -0.028 0.000 0.888 204 L HN 0.502 nan 8.230 nan 0.000 0.443 205 E N -0.684 119.501 120.200 -0.026 0.000 2.045 205 E HA -0.125 4.223 4.350 -0.004 0.000 0.190 205 E C 2.177 178.754 176.600 -0.038 0.000 0.968 205 E CA 1.154 57.533 56.400 -0.035 0.000 0.813 205 E CB 0.131 29.809 29.700 -0.036 0.000 0.780 205 E HN 0.281 nan 8.360 nan 0.000 0.455 206 V N 1.521 121.412 119.914 -0.038 0.000 2.233 206 V HA -0.313 3.804 4.120 -0.004 0.000 0.252 206 V C 2.462 178.543 176.094 -0.021 0.000 1.063 206 V CA 1.854 64.134 62.300 -0.033 0.000 1.032 206 V CB -0.835 30.975 31.823 -0.022 0.000 0.645 206 V HN 0.260 nan 8.190 nan 0.000 0.446 207 L N -0.067 121.147 121.223 -0.014 0.000 2.552 207 L HA 0.127 4.465 4.340 -0.004 0.000 0.227 207 L C 0.999 177.847 176.870 -0.037 0.000 1.146 207 L CA 0.928 55.759 54.840 -0.015 0.000 0.858 207 L CB -0.693 41.364 42.059 -0.004 0.000 0.969 207 L HN 0.431 nan 8.230 nan 0.000 0.451 208 D N 1.014 121.386 120.400 -0.047 0.000 2.746 208 D HA -0.220 4.418 4.640 -0.004 0.000 0.241 208 D C -0.422 175.834 176.300 -0.072 0.000 1.140 208 D CA 0.579 54.545 54.000 -0.057 0.000 0.707 208 D CB -0.899 39.867 40.800 -0.056 0.000 1.034 208 D HN 0.232 nan 8.370 nan 0.000 0.423 209 I N 1.496 122.012 120.570 -0.091 0.000 2.405 209 I HA 0.255 4.423 4.170 -0.004 0.000 0.280 209 I C -1.971 174.060 176.117 -0.144 0.000 1.027 209 I CA -1.946 59.274 61.300 -0.132 0.000 1.161 209 I CB 1.678 39.567 38.000 -0.186 0.000 1.300 209 I HN -0.156 nan 8.210 nan 0.000 0.463 210 P HA 0.005 nan 4.420 nan 0.000 0.260 210 P C 0.680 177.891 177.300 -0.149 0.000 1.207 210 P CA -0.020 63.012 63.100 -0.113 0.000 0.780 210 P CB 0.324 31.969 31.700 -0.093 0.000 0.789 211 R N 2.836 123.251 120.500 -0.142 0.000 2.371 211 R HA -0.212 4.126 4.340 -0.004 0.000 0.226 211 R C 0.885 177.107 176.300 -0.130 0.000 1.132 211 R CA 1.338 57.337 56.100 -0.170 0.000 1.027 211 R CB 0.122 30.362 30.300 -0.100 0.000 0.848 211 R HN 0.362 nan 8.270 nan 0.000 0.479 212 E N 0.693 120.835 120.200 -0.097 0.000 2.017 212 E HA -0.252 4.096 4.350 -0.004 0.000 0.193 212 E C 1.892 178.446 176.600 -0.077 0.000 0.997 212 E CA 2.059 58.420 56.400 -0.065 0.000 0.804 212 E CB -0.394 29.268 29.700 -0.065 0.000 0.757 212 E HN 0.494 nan 8.360 nan 0.000 0.448 213 M N 0.092 119.620 119.600 -0.119 0.000 2.346 213 M HA -0.060 4.418 4.480 -0.004 0.000 0.263 213 M C -0.184 176.062 176.300 -0.091 0.000 1.064 213 M CA 0.703 55.920 55.300 -0.137 0.000 1.083 213 M CB -0.315 32.189 32.600 -0.160 0.000 1.399 213 M HN -0.100 nan 8.290 nan 0.000 0.435 214 L N 1.771 122.881 121.223 -0.188 0.000 2.479 214 L HA 0.324 4.662 4.340 -0.004 0.000 0.270 214 L C -2.072 174.738 176.870 -0.101 0.000 1.236 214 L CA -1.297 53.365 54.840 -0.297 0.000 0.823 214 L CB -0.865 40.694 42.059 -0.832 0.000 1.098 214 L HN 0.187 nan 8.230 nan 0.000 0.500 215 P HA 0.405 nan 4.420 nan 0.000 0.320 215 P C -1.934 175.346 177.300 -0.034 0.000 1.236 215 P CA -0.884 61.855 63.100 -0.602 0.000 0.892 215 P CB 1.625 32.798 31.700 -0.878 0.000 1.360 216 E N -0.383 119.775 120.200 -0.071 0.000 2.166 216 E HA 0.474 4.822 4.350 -0.004 0.000 0.275 216 E C -0.495 176.118 176.600 0.021 0.000 0.941 216 E CA -1.158 55.295 56.400 0.088 0.000 0.784 216 E CB 1.151 30.888 29.700 0.060 0.000 1.115 216 E HN 0.008 nan 8.360 nan 0.000 0.399 217 V N 3.543 123.451 119.914 -0.011 0.000 2.655 217 V HA 0.158 4.275 4.120 -0.004 0.000 0.300 217 V C 0.662 176.522 176.094 -0.392 0.000 1.044 217 V CA -0.043 62.079 62.300 -0.297 0.000 1.095 217 V CB -0.097 31.478 31.823 -0.414 0.000 0.952 217 V HN 0.713 nan 8.190 nan 0.000 0.485 218 R N 2.305 122.450 120.500 -0.591 0.000 3.041 218 R HA 0.540 4.878 4.340 -0.004 0.000 0.254 218 R C -0.534 175.442 176.300 -0.540 0.000 1.244 218 R CA -1.200 54.657 56.100 -0.407 0.000 1.023 218 R CB 1.473 31.758 30.300 -0.026 0.000 1.332 218 R HN 0.614 nan 8.270 nan 0.000 0.463 219 R N -0.044 120.417 120.500 -0.066 0.000 2.410 219 R HA 0.196 4.534 4.340 -0.004 0.000 0.288 219 R C 0.657 177.049 176.300 0.154 0.000 1.051 219 R CA 0.105 56.249 56.100 0.074 0.000 1.021 219 R CB 0.833 31.197 30.300 0.106 0.000 1.032 219 R HN 0.510 nan 8.270 nan 0.000 0.481 220 S N 0.466 116.237 115.700 0.118 0.000 2.447 220 S HA -0.074 4.394 4.470 -0.004 0.000 0.233 220 S C 0.467 175.145 174.600 0.131 0.000 1.006 220 S CA 0.871 59.122 58.200 0.086 0.000 0.957 220 S CB 0.119 63.305 63.200 -0.023 0.000 0.773 220 S HN 0.484 nan 8.310 nan 0.000 0.507 221 S N 0.978 116.722 115.700 0.073 0.000 2.745 221 S HA 0.511 4.979 4.470 -0.004 0.000 0.283 221 S C -0.963 173.589 174.600 -0.079 0.000 1.170 221 S CA -0.660 57.553 58.200 0.022 0.000 1.119 221 S CB 0.583 63.791 63.200 0.014 0.000 1.035 221 S HN 0.466 nan 8.310 nan 0.000 0.483 222 E N 2.992 123.021 120.200 -0.284 0.000 2.745 222 E HA 0.168 4.516 4.350 -0.004 0.000 0.306 222 E C -1.756 174.286 176.600 -0.931 0.000 1.090 222 E CA -0.729 55.386 56.400 -0.475 0.000 0.893 222 E CB 0.434 29.919 29.700 -0.357 0.000 1.205 222 E HN 0.316 nan 8.360 nan 0.000 0.438 223 V N 5.567 125.188 119.914 -0.489 0.000 2.450 223 V HA -0.003 4.115 4.120 -0.004 0.000 0.281 223 V C 0.093 175.944 176.094 -0.404 0.000 1.019 223 V CA 0.708 62.778 62.300 -0.383 0.000 1.062 223 V CB -0.461 31.270 31.823 -0.155 0.000 0.979 223 V HN 0.647 nan 8.190 nan 0.000 0.477 224 Y N 3.326 123.630 120.300 0.008 0.000 2.509 224 Y HA 0.553 5.101 4.550 -0.003 0.000 0.270 224 Y C 1.389 177.296 175.900 0.010 0.000 1.103 224 Y CA 0.466 58.570 58.100 0.008 0.000 1.278 224 Y CB 0.309 38.774 38.460 0.008 0.000 1.087 224 Y HN 0.767 nan 8.280 nan 0.000 0.542 225 G N -0.575 108.294 108.800 0.114 0.000 2.344 225 G HA2 0.386 4.344 3.960 -0.004 0.000 0.282 225 G HA3 0.386 4.344 3.960 -0.004 0.000 0.282 225 G C -1.918 173.014 174.900 0.053 0.000 1.281 225 G CA -1.056 44.088 45.100 0.074 0.000 0.877 225 G HN -0.091 nan 8.290 nan 0.000 0.494 226 Q N -0.737 119.082 119.800 0.033 0.000 2.456 226 Q HA 0.698 5.036 4.340 -0.004 0.000 0.283 226 Q C -1.248 174.759 176.000 0.012 0.000 1.084 226 Q CA -0.949 54.867 55.803 0.022 0.000 0.801 226 Q CB 2.594 31.338 28.738 0.011 0.000 1.434 226 Q HN 0.711 nan 8.270 nan 0.000 0.419 227 T N -0.281 114.283 114.554 0.016 0.000 2.916 227 T HA 0.513 4.861 4.350 -0.004 0.000 0.292 227 T C -0.776 173.930 174.700 0.010 0.000 1.055 227 T CA -0.906 61.202 62.100 0.013 0.000 1.009 227 T CB 1.425 70.312 68.868 0.032 0.000 1.118 227 T HN 0.547 nan 8.240 nan 0.000 0.497 228 N N 1.594 120.298 118.700 0.006 0.000 2.491 228 N HA 0.344 5.082 4.740 -0.004 0.000 0.274 228 N C -0.101 175.415 175.510 0.009 0.000 1.023 228 N CA -1.023 52.030 53.050 0.004 0.000 0.902 228 N CB 0.635 39.119 38.487 -0.005 0.000 1.267 228 N HN 0.806 nan 8.380 nan 0.000 0.503 229 I N 1.126 121.701 120.570 0.008 0.000 3.637 229 I HA 0.561 4.728 4.170 -0.004 0.000 0.342 229 I C 0.534 176.651 176.117 -0.000 0.000 1.545 229 I CA -0.287 61.016 61.300 0.004 0.000 1.126 229 I CB -0.562 37.437 38.000 -0.000 0.000 1.375 229 I HN 0.587 nan 8.210 nan 0.000 0.467 230 G N 1.231 110.031 108.800 0.001 0.000 2.741 230 G HA2 0.226 4.184 3.960 -0.004 0.000 0.222 230 G HA3 0.226 4.184 3.960 -0.004 0.000 0.222 230 G C 0.083 174.984 174.900 0.002 0.000 1.364 230 G CA -0.116 44.984 45.100 -0.000 0.000 0.866 230 G HN 1.797 nan 8.290 nan 0.000 0.555 231 G N -2.451 106.350 108.800 0.002 0.000 2.337 231 G HA2 0.564 4.521 3.960 -0.004 0.000 0.197 231 G HA3 0.564 4.521 3.960 -0.004 0.000 0.197 231 G C 0.193 175.095 174.900 0.005 0.000 1.238 231 G CA 1.049 46.152 45.100 0.005 0.000 1.119 231 G HN 2.517 nan 8.290 nan 0.000 0.514 232 K N 0.405 120.809 120.400 0.007 0.000 2.262 232 K HA 0.715 5.033 4.320 -0.004 0.000 0.288 232 K C 1.286 177.888 176.600 0.004 0.000 1.090 232 K CA 1.093 57.383 56.287 0.006 0.000 0.918 232 K CB 0.226 32.731 32.500 0.007 0.000 1.139 232 K HN 2.490 nan 8.250 nan 0.000 0.462 233 G N 0.605 109.406 108.800 0.002 0.000 2.869 233 G HA2 0.294 4.252 3.960 -0.004 0.000 0.261 233 G HA3 0.294 4.252 3.960 -0.004 0.000 0.261 233 G C 1.488 176.388 174.900 0.001 0.000 0.468 233 G CA 0.849 45.949 45.100 0.001 0.000 1.141 233 G HN 2.259 nan 8.290 nan 0.000 0.235 234 G N 0.870 109.670 108.800 -0.000 0.000 2.184 234 G HA2 -0.161 3.797 3.960 -0.004 0.000 0.264 234 G HA3 -0.161 3.797 3.960 -0.004 0.000 0.264 234 G C 0.617 175.518 174.900 0.002 0.000 0.975 234 G CA 1.153 46.253 45.100 -0.000 0.000 0.642 234 G HN 1.879 nan 8.290 nan 0.000 0.536 235 T N -0.512 114.044 114.554 0.004 0.000 2.901 235 T HA 0.630 4.978 4.350 -0.004 0.000 0.301 235 T C 0.188 174.892 174.700 0.006 0.000 1.012 235 T CA 0.216 62.320 62.100 0.007 0.000 1.135 235 T CB 2.220 71.094 68.868 0.009 0.000 0.936 235 T HN 0.623 nan 8.240 nan 0.000 0.539 236 R N 1.075 121.581 120.500 0.009 0.000 2.663 236 R HA 0.638 4.975 4.340 -0.004 0.000 0.267 236 R C -1.881 174.427 176.300 0.014 0.000 1.038 236 R CA -0.676 55.429 56.100 0.009 0.000 0.886 236 R CB 1.304 31.607 30.300 0.004 0.000 1.249 236 R HN 0.597 nan 8.270 nan 0.000 0.463 237 I N 3.058 123.638 120.570 0.017 0.000 2.608 237 I HA 0.473 4.641 4.170 -0.004 0.000 0.295 237 I C -2.299 173.834 176.117 0.026 0.000 1.049 237 I CA -2.253 59.060 61.300 0.021 0.000 1.063 237 I CB 2.113 40.127 38.000 0.023 0.000 1.248 237 I HN 0.435 nan 8.210 nan 0.000 0.424 238 P HA 0.325 nan 4.420 nan 0.000 0.275 238 P C -0.730 176.601 177.300 0.051 0.000 1.227 238 P CA -0.007 63.110 63.100 0.027 0.000 0.781 238 P CB 0.566 32.273 31.700 0.010 0.000 0.906 239 I N 1.882 122.504 120.570 0.087 0.000 2.388 239 I HA 0.142 4.310 4.170 -0.004 0.000 0.281 239 I C 0.811 177.052 176.117 0.208 0.000 1.046 239 I CA 0.023 61.429 61.300 0.176 0.000 1.187 239 I CB 0.648 38.777 38.000 0.215 0.000 1.351 239 I HN 0.202 nan 8.210 nan 0.000 0.472 240 S N 2.802 118.576 115.700 0.123 0.000 2.511 240 S HA 0.289 4.757 4.470 -0.004 0.000 0.214 240 S C 0.811 175.497 174.600 0.143 0.000 0.997 240 S CA -0.322 57.858 58.200 -0.033 0.000 0.908 240 S CB 0.790 63.987 63.200 -0.004 0.000 0.803 240 S HN 0.680 nan 8.310 nan 0.000 0.504 241 G N 0.919 109.951 108.800 0.388 0.000 2.617 241 G HA2 0.736 4.694 3.960 -0.004 0.000 0.306 241 G HA3 0.736 4.694 3.960 -0.004 0.000 0.306 241 G C -1.461 173.576 174.900 0.229 0.000 1.360 241 G CA -0.517 44.773 45.100 0.317 0.000 0.983 241 G HN 0.157 nan 8.290 nan 0.000 0.496 242 I N 0.561 121.200 120.570 0.115 0.000 2.775 242 I HA 0.759 4.927 4.170 -0.004 0.000 0.295 242 I C -0.208 175.883 176.117 -0.044 0.000 1.287 242 I CA -0.272 60.996 61.300 -0.054 0.000 1.029 242 I CB 2.472 40.317 38.000 -0.258 0.000 1.282 242 I HN 0.938 nan 8.210 nan 0.000 0.426 243 A N 3.333 126.122 122.820 -0.052 0.000 2.590 243 A HA 0.743 5.061 4.320 -0.004 0.000 0.294 243 A C -0.663 176.890 177.584 -0.051 0.000 1.046 243 A CA -0.288 51.715 52.037 -0.057 0.000 0.684 243 A CB 0.870 19.841 19.000 -0.048 0.000 1.279 243 A HN 0.916 nan 8.150 nan 0.000 0.415 244 G N 0.707 109.468 108.800 -0.064 0.000 2.361 244 G HA2 0.398 4.356 3.960 -0.004 0.000 0.260 244 G HA3 0.398 4.356 3.960 -0.004 0.000 0.260 244 G C 0.473 175.330 174.900 -0.072 0.000 1.261 244 G CA 0.472 45.526 45.100 -0.077 0.000 0.897 244 G HN 0.975 nan 8.290 nan 0.000 0.499 245 D N 2.062 122.422 120.400 -0.067 0.000 2.254 245 D HA -0.242 4.396 4.640 -0.004 0.000 0.201 245 D C 1.810 178.075 176.300 -0.058 0.000 0.998 245 D CA 1.265 55.239 54.000 -0.044 0.000 0.885 245 D CB 0.056 40.834 40.800 -0.036 0.000 0.915 245 D HN 0.340 nan 8.370 nan 0.000 0.460 246 Q N 0.168 119.889 119.800 -0.131 0.000 2.020 246 Q HA -0.116 4.222 4.340 -0.004 0.000 0.202 246 Q C 2.366 178.352 176.000 -0.023 0.000 0.982 246 Q CA 1.535 57.268 55.803 -0.117 0.000 0.838 246 Q CB -0.605 27.978 28.738 -0.258 0.000 0.899 246 Q HN 0.468 nan 8.270 nan 0.000 0.423 247 Q N 0.204 119.988 119.800 -0.027 0.000 2.119 247 Q HA -0.015 4.323 4.340 -0.004 0.000 0.201 247 Q C 1.978 178.008 176.000 0.050 0.000 0.972 247 Q CA 1.520 57.331 55.803 0.013 0.000 0.847 247 Q CB -0.407 28.317 28.738 -0.024 0.000 0.903 247 Q HN 0.425 nan 8.270 nan 0.000 0.433 248 A N 0.634 123.467 122.820 0.022 0.000 1.948 248 A HA -0.216 4.101 4.320 -0.004 0.000 0.220 248 A C 2.206 179.849 177.584 0.098 0.000 1.177 248 A CA 1.908 53.976 52.037 0.052 0.000 0.636 248 A CB -0.936 18.074 19.000 0.017 0.000 0.815 248 A HN 0.411 nan 8.150 nan 0.000 0.449 249 A N -0.964 121.896 122.820 0.066 0.000 1.874 249 A HA 0.108 4.426 4.320 -0.004 0.000 0.214 249 A C 2.027 179.668 177.584 0.094 0.000 1.189 249 A CA 1.427 53.504 52.037 0.066 0.000 0.615 249 A CB -0.621 18.410 19.000 0.052 0.000 0.830 249 A HN 0.586 nan 8.150 nan 0.000 0.443 250 L N -1.524 119.765 121.223 0.109 0.000 2.129 250 L HA -0.149 4.189 4.340 -0.004 0.000 0.212 250 L C 2.053 179.024 176.870 0.169 0.000 1.087 250 L CA 1.826 56.740 54.840 0.123 0.000 0.757 250 L CB -0.782 41.349 42.059 0.121 0.000 0.896 250 L HN 0.445 nan 8.230 nan 0.000 0.434 251 F N -0.289 119.684 119.950 0.039 0.000 2.094 251 F HA 0.087 4.612 4.527 -0.004 0.000 0.291 251 F C 2.372 178.229 175.800 0.095 0.000 1.109 251 F CA 1.461 59.502 58.000 0.067 0.000 1.221 251 F CB -1.017 38.027 39.000 0.074 0.000 1.014 251 F HN 0.093 nan 8.300 nan 0.000 0.473 252 G N -0.783 108.083 108.800 0.110 0.000 2.503 252 G HA2 -0.390 3.568 3.960 -0.004 0.000 0.221 252 G HA3 -0.390 3.568 3.960 -0.004 0.000 0.221 252 G C 1.444 176.326 174.900 -0.029 0.000 1.131 252 G CA 1.138 46.181 45.100 -0.095 0.000 0.756 252 G HN 0.421 nan 8.290 nan 0.000 0.572 253 Q N -0.979 118.821 119.800 -0.000 0.000 2.482 253 Q HA 0.210 4.548 4.340 -0.004 0.000 0.209 253 Q C 0.912 176.897 176.000 -0.024 0.000 0.961 253 Q CA -0.014 55.792 55.803 0.005 0.000 0.945 253 Q CB -0.043 28.714 28.738 0.032 0.000 1.012 253 Q HN 0.178 nan 8.270 nan 0.000 0.515 254 L N -1.620 119.547 121.223 -0.093 0.000 4.291 254 L HA -0.241 4.097 4.340 -0.004 0.000 0.413 254 L C -0.763 176.058 176.870 -0.081 0.000 1.162 254 L CA 0.468 55.214 54.840 -0.157 0.000 0.961 254 L CB -2.831 39.150 42.059 -0.130 0.000 2.095 254 L HN 0.321 nan 8.230 nan 0.000 0.838 255 C N -0.340 118.949 119.300 -0.018 0.000 2.400 255 C HA 0.455 4.913 4.460 -0.004 0.000 0.457 255 C C 1.877 176.904 174.990 0.062 0.000 1.020 255 C CA 0.018 59.053 59.018 0.027 0.000 1.258 255 C CB -0.398 27.370 27.740 0.047 0.000 1.532 255 C HN 0.366 nan 8.230 nan 0.000 0.537 256 V N 2.164 122.102 119.914 0.040 0.000 3.528 256 V HA 0.163 4.281 4.120 -0.004 0.000 0.294 256 V C 0.765 176.897 176.094 0.065 0.000 1.404 256 V CA 0.685 63.035 62.300 0.084 0.000 1.065 256 V CB -0.274 31.596 31.823 0.078 0.000 0.904 256 V HN 0.695 nan 8.190 nan 0.000 0.435 257 K N 1.366 121.792 120.400 0.042 0.000 2.166 257 K HA 0.466 4.784 4.320 -0.004 0.000 0.245 257 K C -0.229 176.396 176.600 0.042 0.000 0.967 257 K CA -0.593 55.716 56.287 0.036 0.000 0.863 257 K CB 1.688 34.200 32.500 0.021 0.000 1.107 257 K HN 0.406 nan 8.250 nan 0.000 0.436 258 E N -0.304 119.921 120.200 0.041 0.000 2.373 258 E HA 0.275 4.622 4.350 -0.004 0.000 0.267 258 E C 0.530 177.153 176.600 0.038 0.000 1.032 258 E CA -0.155 56.273 56.400 0.045 0.000 0.889 258 E CB 0.502 30.234 29.700 0.053 0.000 0.984 258 E HN 0.731 nan 8.360 nan 0.000 0.425 259 G N 2.694 111.520 108.800 0.044 0.000 2.175 259 G HA2 -0.267 3.691 3.960 -0.004 0.000 0.244 259 G HA3 -0.267 3.691 3.960 -0.004 0.000 0.244 259 G C 0.055 174.979 174.900 0.041 0.000 0.982 259 G CA 0.230 45.354 45.100 0.040 0.000 0.641 259 G HN 0.472 nan 8.290 nan 0.000 0.527 260 M N 0.586 120.212 119.600 0.044 0.000 2.209 260 M HA 0.720 5.198 4.480 -0.004 0.000 0.355 260 M C 0.217 176.548 176.300 0.052 0.000 1.171 260 M CA 0.097 55.423 55.300 0.043 0.000 1.069 260 M CB 1.892 34.514 32.600 0.036 0.000 1.622 260 M HN 0.657 nan 8.290 nan 0.000 0.459 261 A N 2.951 125.801 122.820 0.051 0.000 2.564 261 A HA 0.988 5.306 4.320 -0.004 0.000 0.288 261 A C -1.363 176.254 177.584 0.054 0.000 1.164 261 A CA -0.829 51.241 52.037 0.055 0.000 0.712 261 A CB 2.001 21.032 19.000 0.052 0.000 1.303 261 A HN 0.866 nan 8.150 nan 0.000 0.418 262 K N -0.160 120.274 120.400 0.057 0.000 2.548 262 K HA 0.689 5.007 4.320 -0.004 0.000 0.282 262 K C -1.292 175.336 176.600 0.046 0.000 1.006 262 K CA -0.762 55.560 56.287 0.058 0.000 0.892 262 K CB 1.227 33.767 32.500 0.066 0.000 1.499 262 K HN 0.479 nan 8.250 nan 0.000 0.433 263 N N -0.517 118.209 118.700 0.043 0.000 2.269 263 N HA 0.552 5.290 4.740 -0.004 0.000 0.304 263 N C -1.655 173.840 175.510 -0.025 0.000 1.072 263 N CA -0.383 52.642 53.050 -0.041 0.000 0.802 263 N CB 2.426 40.855 38.487 -0.098 0.000 1.348 263 N HN 0.653 nan 8.380 nan 0.000 0.484 264 T N 2.749 117.226 114.554 -0.129 0.000 2.841 264 T HA 0.356 4.704 4.350 -0.004 0.000 0.285 264 T C -1.181 173.427 174.700 -0.154 0.000 0.991 264 T CA -0.195 61.904 62.100 -0.001 0.000 0.966 264 T CB 0.251 69.185 68.868 0.110 0.000 0.962 264 T HN 0.294 nan 8.240 nan 0.000 0.438 265 Y N 2.334 122.692 120.300 0.098 0.000 2.960 265 Y HA 0.542 5.090 4.550 -0.004 0.000 0.343 265 Y C 0.948 176.917 175.900 0.115 0.000 1.106 265 Y CA -0.700 57.453 58.100 0.088 0.000 1.221 265 Y CB 0.700 39.187 38.460 0.044 0.000 1.232 265 Y HN 0.808 nan 8.280 nan 0.000 0.577 266 G N -0.253 108.701 108.800 0.258 0.000 3.099 266 G HA2 0.065 4.022 3.960 -0.004 0.000 0.151 266 G HA3 0.065 4.022 3.960 -0.004 0.000 0.151 266 G C 0.949 175.996 174.900 0.246 0.000 1.265 266 G CA -0.314 44.930 45.100 0.240 0.000 0.981 266 G HN 0.214 nan 8.290 nan 0.000 0.601 267 T N 0.090 114.802 114.554 0.264 0.000 2.869 267 T HA 0.131 4.479 4.350 -0.004 0.000 0.270 267 T C 0.975 175.864 174.700 0.315 0.000 1.082 267 T CA 1.765 64.032 62.100 0.278 0.000 1.123 267 T CB -0.382 68.688 68.868 0.336 0.000 0.856 267 T HN 0.803 nan 8.240 nan 0.000 0.499 268 G N -1.718 107.284 108.800 0.337 0.000 2.911 268 G HA2 0.500 4.458 3.960 -0.004 0.000 0.299 268 G HA3 0.500 4.458 3.960 -0.004 0.000 0.299 268 G C -1.742 173.174 174.900 0.026 0.000 1.283 268 G CA -0.381 44.864 45.100 0.242 0.000 0.805 268 G HN 0.226 nan 8.290 nan 0.000 0.548 269 C N -0.069 118.978 119.300 -0.422 0.000 2.481 269 C HA 0.788 5.246 4.460 -0.004 0.000 0.324 269 C C -1.696 172.676 174.990 -1.029 0.000 1.170 269 C CA -0.854 57.849 59.018 -0.526 0.000 1.361 269 C CB -0.348 27.143 27.740 -0.416 0.000 1.977 269 C HN 0.419 nan 8.230 nan 0.000 0.459 270 F N 4.819 124.690 119.950 -0.132 0.000 2.553 270 F HA 0.523 5.049 4.527 -0.003 0.000 0.335 270 F C 0.089 175.838 175.800 -0.084 0.000 1.148 270 F CA -0.554 57.403 58.000 -0.072 0.000 0.963 270 F CB 1.185 40.177 39.000 -0.012 0.000 1.217 270 F HN 0.367 nan 8.300 nan 0.000 0.441 271 M N 5.078 124.729 119.600 0.085 0.000 2.180 271 M HA 0.717 5.195 4.480 -0.004 0.000 0.350 271 M C -1.933 174.433 176.300 0.110 0.000 1.125 271 M CA -0.563 54.768 55.300 0.051 0.000 1.031 271 M CB 0.975 33.565 32.600 -0.016 0.000 1.623 271 M HN 0.619 nan 8.290 nan 0.000 0.451 272 L N 5.249 126.529 121.223 0.095 0.000 2.455 272 L HA 0.611 4.949 4.340 -0.004 0.000 0.264 272 L C -0.935 175.983 176.870 0.081 0.000 0.968 272 L CA -0.141 54.760 54.840 0.100 0.000 0.827 272 L CB 2.294 44.416 42.059 0.105 0.000 1.317 272 L HN 0.794 nan 8.230 nan 0.000 0.407 273 M N 2.552 122.200 119.600 0.080 0.000 2.456 273 M HA 0.466 4.944 4.480 -0.004 0.000 0.324 273 M C -0.886 175.461 176.300 0.079 0.000 1.124 273 M CA -0.600 54.743 55.300 0.071 0.000 0.959 273 M CB 1.723 34.360 32.600 0.063 0.000 1.692 273 M HN 0.612 nan 8.290 nan 0.000 0.444 274 N N 1.959 120.704 118.700 0.075 0.000 2.430 274 N HA 0.141 4.879 4.740 -0.004 0.000 0.265 274 N C -0.166 175.393 175.510 0.081 0.000 1.100 274 N CA 0.219 53.318 53.050 0.081 0.000 0.961 274 N CB 1.099 39.632 38.487 0.076 0.000 1.075 274 N HN 0.744 nan 8.380 nan 0.000 0.478 275 T N 0.781 115.396 114.554 0.101 0.000 3.251 275 T HA 0.347 4.695 4.350 -0.004 0.000 0.259 275 T C 1.142 175.906 174.700 0.108 0.000 0.998 275 T CA -0.038 62.120 62.100 0.098 0.000 0.905 275 T CB -0.370 68.560 68.868 0.103 0.000 1.067 275 T HN 0.653 nan 8.240 nan 0.000 0.569 276 G N 3.286 112.142 108.800 0.094 0.000 2.596 276 G HA2 -0.353 3.605 3.960 -0.004 0.000 0.295 276 G HA3 -0.353 3.605 3.960 -0.004 0.000 0.295 276 G C 0.478 175.450 174.900 0.119 0.000 1.240 276 G CA 0.420 45.570 45.100 0.083 0.000 0.985 276 G HN 0.627 nan 8.290 nan 0.000 0.555 277 E N 0.506 120.776 120.200 0.116 0.000 2.479 277 E HA 0.268 4.616 4.350 -0.004 0.000 0.193 277 E C 0.897 177.678 176.600 0.302 0.000 1.049 277 E CA 0.652 57.158 56.400 0.177 0.000 0.870 277 E CB 0.276 30.026 29.700 0.084 0.000 0.944 277 E HN 0.598 nan 8.360 nan 0.000 0.492 278 K N 1.639 122.155 120.400 0.193 0.000 2.201 278 K HA 0.432 4.750 4.320 -0.004 0.000 0.278 278 K C -0.650 175.943 176.600 -0.011 0.000 1.027 278 K CA -0.512 55.826 56.287 0.084 0.000 0.909 278 K CB 1.207 33.726 32.500 0.033 0.000 1.062 278 K HN -0.008 nan 8.250 nan 0.000 0.465 279 A N 4.905 127.527 122.820 -0.331 0.000 2.798 279 A HA 0.294 4.612 4.320 -0.004 0.000 0.316 279 A C -0.495 176.956 177.584 -0.222 0.000 1.506 279 A CA -0.801 50.904 52.037 -0.552 0.000 1.162 279 A CB -0.206 18.179 19.000 -1.024 0.000 1.138 279 A HN 0.551 nan 8.150 nan 0.000 0.532 280 V N 2.696 122.550 119.914 -0.099 0.000 2.585 280 V HA 0.038 4.156 4.120 -0.004 0.000 0.296 280 V C 0.860 176.926 176.094 -0.047 0.000 1.035 280 V CA 0.029 62.298 62.300 -0.051 0.000 1.084 280 V CB 0.596 32.414 31.823 -0.009 0.000 0.953 280 V HN 0.769 nan 8.190 nan 0.000 0.483 281 K N 3.409 123.783 120.400 -0.043 0.000 2.285 281 K HA 0.275 4.593 4.320 -0.004 0.000 0.286 281 K C 0.350 176.945 176.600 -0.009 0.000 1.072 281 K CA -0.053 56.214 56.287 -0.033 0.000 0.913 281 K CB 0.856 33.331 32.500 -0.041 0.000 1.067 281 K HN 0.794 nan 8.250 nan 0.000 0.479 282 S N 3.156 118.859 115.700 0.005 0.000 2.593 282 S HA 0.074 4.542 4.470 -0.004 0.000 0.269 282 S C 0.189 174.804 174.600 0.026 0.000 1.334 282 S CA 0.091 58.308 58.200 0.028 0.000 1.015 282 S CB 0.493 63.726 63.200 0.054 0.000 0.912 282 S HN 0.732 nan 8.310 nan 0.000 0.541 283 E N 2.032 122.253 120.200 0.036 0.000 2.858 283 E HA 0.137 4.485 4.350 -0.004 0.000 0.195 283 E C -0.912 175.715 176.600 0.046 0.000 0.952 283 E CA -0.011 56.410 56.400 0.035 0.000 1.294 283 E CB 0.195 29.909 29.700 0.023 0.000 1.048 283 E HN 0.677 nan 8.360 nan 0.000 0.485 284 N N -0.283 118.452 118.700 0.059 0.000 2.547 284 N HA 0.174 4.911 4.740 -0.004 0.000 0.285 284 N C 0.535 176.095 175.510 0.084 0.000 1.600 284 N CA 0.374 53.458 53.050 0.056 0.000 0.872 284 N CB 1.729 40.239 38.487 0.039 0.000 1.412 284 N HN 0.201 nan 8.380 nan 0.000 0.489 285 G N 0.094 108.987 108.800 0.154 0.000 2.212 285 G HA2 -0.285 3.673 3.960 -0.004 0.000 0.266 285 G HA3 -0.285 3.673 3.960 -0.004 0.000 0.266 285 G C 0.071 175.248 174.900 0.462 0.000 0.978 285 G CA 0.108 45.411 45.100 0.339 0.000 0.632 285 G HN 0.250 nan 8.290 nan 0.000 0.537 286 L N 0.356 121.729 121.223 0.251 0.000 2.456 286 L HA 0.631 4.969 4.340 -0.004 0.000 0.257 286 L C 1.091 178.081 176.870 0.201 0.000 1.162 286 L CA -0.702 54.288 54.840 0.250 0.000 0.808 286 L CB 0.793 42.939 42.059 0.144 0.000 1.136 286 L HN 0.092 nan 8.230 nan 0.000 0.466 287 L N 0.173 121.525 121.223 0.216 0.000 2.352 287 L HA 0.500 4.838 4.340 -0.004 0.000 0.269 287 L C -0.041 176.881 176.870 0.086 0.000 1.034 287 L CA -0.459 54.453 54.840 0.120 0.000 0.806 287 L CB 1.398 43.551 42.059 0.157 0.000 1.244 287 L HN 0.470 nan 8.230 nan 0.000 0.447 288 T N 0.091 114.664 114.554 0.032 0.000 2.770 288 T HA 0.510 4.858 4.350 -0.004 0.000 0.283 288 T C -0.277 174.442 174.700 0.031 0.000 0.988 288 T CA -0.376 61.739 62.100 0.025 0.000 0.957 288 T CB 1.446 70.299 68.868 -0.025 0.000 0.930 288 T HN 0.680 nan 8.240 nan 0.000 0.443 289 T N 2.393 116.997 114.554 0.082 0.000 2.865 289 T HA 0.670 5.018 4.350 -0.004 0.000 0.294 289 T C -0.464 174.320 174.700 0.140 0.000 1.119 289 T CA -0.613 61.533 62.100 0.077 0.000 1.007 289 T CB 0.909 69.792 68.868 0.024 0.000 1.225 289 T HN 0.404 nan 8.240 nan 0.000 0.515 290 I N 2.217 122.823 120.570 0.059 0.000 2.696 290 I HA 0.538 4.706 4.170 -0.004 0.000 0.284 290 I C 0.687 176.773 176.117 -0.052 0.000 1.129 290 I CA 0.473 61.746 61.300 -0.046 0.000 1.410 290 I CB 1.048 38.985 38.000 -0.104 0.000 1.399 290 I HN 0.824 nan 8.210 nan 0.000 0.579 291 A N 4.149 126.908 122.820 -0.102 0.000 3.434 291 A HA 0.795 5.113 4.320 -0.004 0.000 0.247 291 A C -1.509 176.024 177.584 -0.085 0.000 1.075 291 A CA -0.375 51.633 52.037 -0.049 0.000 0.737 291 A CB 1.013 20.020 19.000 0.011 0.000 1.412 291 A HN 0.628 nan 8.150 nan 0.000 0.691 292 C N -0.228 119.048 119.300 -0.040 0.000 2.481 292 C HA 0.707 5.165 4.460 -0.004 0.000 0.324 292 C C 0.976 176.001 174.990 0.060 0.000 1.170 292 C CA -0.382 58.590 59.018 -0.076 0.000 1.361 292 C CB 0.585 28.148 27.740 -0.295 0.000 1.977 292 C HN 1.157 nan 8.230 nan 0.000 0.459 293 G N 2.991 111.808 108.800 0.029 0.000 2.611 293 G HA2 0.378 4.336 3.960 -0.004 0.000 0.273 293 G HA3 0.378 4.336 3.960 -0.004 0.000 0.273 293 G C -1.720 173.322 174.900 0.237 0.000 1.305 293 G CA -0.510 44.647 45.100 0.096 0.000 1.010 293 G HN 0.505 nan 8.290 nan 0.000 0.509 294 P HA 0.065 nan 4.420 nan 0.000 0.247 294 P C 1.045 178.497 177.300 0.254 0.000 1.225 294 P CA 1.270 64.524 63.100 0.257 0.000 0.768 294 P CB 0.333 32.100 31.700 0.113 0.000 1.020 295 T N -6.252 108.412 114.554 0.183 0.000 3.087 295 T HA 0.439 4.787 4.350 -0.004 0.000 0.283 295 T C 1.186 175.923 174.700 0.063 0.000 0.956 295 T CA 0.546 62.725 62.100 0.131 0.000 0.894 295 T CB -0.160 68.758 68.868 0.083 0.000 1.160 295 T HN 0.141 nan 8.240 nan 0.000 0.532 296 G N 1.834 110.622 108.800 -0.019 0.000 2.192 296 G HA2 -0.148 3.810 3.960 -0.004 0.000 0.193 296 G HA3 -0.148 3.810 3.960 -0.004 0.000 0.193 296 G C -0.364 174.494 174.900 -0.069 0.000 0.999 296 G CA -0.141 44.880 45.100 -0.131 0.000 0.659 296 G HN 0.801 nan 8.290 nan 0.000 0.503 297 E N 0.766 120.944 120.200 -0.037 0.000 2.360 297 E HA 0.481 4.829 4.350 -0.004 0.000 0.269 297 E C 0.566 177.104 176.600 -0.103 0.000 1.022 297 E CA -0.742 55.629 56.400 -0.049 0.000 0.887 297 E CB 1.919 31.601 29.700 -0.029 0.000 0.990 297 E HN 0.087 nan 8.360 nan 0.000 0.426 298 V N 3.949 123.766 119.914 -0.162 0.000 2.539 298 V HA -0.132 3.986 4.120 -0.004 0.000 0.294 298 V C 0.091 175.988 176.094 -0.328 0.000 0.994 298 V CA 0.833 62.958 62.300 -0.292 0.000 1.169 298 V CB -0.883 30.660 31.823 -0.467 0.000 0.898 298 V HN 0.634 nan 8.190 nan 0.000 0.471 299 N N 3.709 122.229 118.700 -0.301 0.000 2.815 299 N HA 0.612 5.350 4.740 -0.004 0.000 0.315 299 N C -1.098 174.173 175.510 -0.398 0.000 1.320 299 N CA -0.536 52.356 53.050 -0.263 0.000 0.846 299 N CB 1.096 39.542 38.487 -0.068 0.000 1.344 299 N HN 0.429 nan 8.380 nan 0.000 0.593 300 Y N -0.514 119.778 120.300 -0.012 0.000 2.562 300 Y HA 0.769 5.316 4.550 -0.004 0.000 0.343 300 Y C -0.208 175.696 175.900 0.006 0.000 1.025 300 Y CA -0.945 57.145 58.100 -0.016 0.000 1.082 300 Y CB 1.855 40.305 38.460 -0.017 0.000 1.264 300 Y HN 0.547 nan 8.280 nan 0.000 0.478 301 A N 1.874 124.831 122.820 0.228 0.000 2.594 301 A HA 0.684 5.002 4.320 -0.004 0.000 0.295 301 A C -2.125 175.525 177.584 0.111 0.000 1.071 301 A CA -0.737 51.381 52.037 0.136 0.000 0.685 301 A CB 1.345 20.408 19.000 0.105 0.000 1.285 301 A HN 0.693 nan 8.150 nan 0.000 0.405 302 L N 1.513 122.794 121.223 0.097 0.000 2.275 302 L HA 0.586 4.924 4.340 -0.004 0.000 0.288 302 L C 0.031 176.967 176.870 0.111 0.000 1.046 302 L CA -0.106 54.789 54.840 0.092 0.000 0.805 302 L CB 1.361 43.465 42.059 0.074 0.000 1.193 302 L HN 0.953 nan 8.230 nan 0.000 0.426 303 E N 2.911 123.194 120.200 0.139 0.000 2.275 303 E HA 0.558 4.906 4.350 -0.004 0.000 0.270 303 E C -0.960 175.783 176.600 0.239 0.000 0.882 303 E CA -0.720 55.792 56.400 0.186 0.000 0.758 303 E CB 2.125 31.953 29.700 0.214 0.000 1.195 303 E HN 0.611 nan 8.360 nan 0.000 0.419 304 G N 2.262 111.187 108.800 0.208 0.000 2.437 304 G HA2 0.611 4.568 3.960 -0.004 0.000 0.315 304 G HA3 0.611 4.568 3.960 -0.004 0.000 0.315 304 G C -0.870 174.098 174.900 0.114 0.000 1.210 304 G CA -0.431 44.757 45.100 0.146 0.000 0.943 304 G HN 0.538 nan 8.290 nan 0.000 0.471 305 A N 2.694 125.599 122.820 0.143 0.000 2.258 305 A HA 0.651 4.969 4.320 -0.004 0.000 0.316 305 A C -0.350 176.872 177.584 -0.604 0.000 1.279 305 A CA -0.480 51.537 52.037 -0.034 0.000 0.876 305 A CB 1.206 20.713 19.000 0.844 0.000 1.170 305 A HN 0.744 nan 8.150 nan 0.000 0.520 306 V N 4.331 123.685 119.914 -0.933 0.000 2.328 306 V HA 0.211 4.329 4.120 -0.004 0.000 0.278 306 V C 0.558 176.457 176.094 -0.325 0.000 1.021 306 V CA -0.259 61.665 62.300 -0.626 0.000 0.838 306 V CB 0.337 31.927 31.823 -0.389 0.000 0.999 306 V HN 0.856 nan 8.190 nan 0.000 0.447 307 F N 2.713 122.585 119.950 -0.130 0.000 2.171 307 F HA 0.096 4.620 4.527 -0.004 0.000 0.300 307 F C 1.154 177.050 175.800 0.161 0.000 1.090 307 F CA 0.880 58.946 58.000 0.110 0.000 1.293 307 F CB -0.147 38.892 39.000 0.064 0.000 1.013 307 F HN 0.277 nan 8.300 nan 0.000 0.486 308 M N -0.832 118.939 119.600 0.284 0.000 2.134 308 M HA 0.532 5.010 4.480 -0.004 0.000 0.310 308 M C 0.251 176.667 176.300 0.193 0.000 0.966 308 M CA -0.219 55.231 55.300 0.250 0.000 0.922 308 M CB 1.377 34.173 32.600 0.327 0.000 1.537 308 M HN 0.100 nan 8.290 nan 0.000 0.424 309 A N 2.750 125.678 122.820 0.180 0.000 1.758 309 A HA 0.570 4.888 4.320 -0.004 0.000 0.172 309 A C 1.395 179.086 177.584 0.179 0.000 1.924 309 A CA 0.623 52.760 52.037 0.168 0.000 1.449 309 A CB -0.810 18.267 19.000 0.128 0.000 1.075 309 A HN 0.749 nan 8.150 nan 0.000 0.777 310 G N 0.151 109.063 108.800 0.188 0.000 2.534 310 G HA2 0.219 4.177 3.960 -0.004 0.000 0.217 310 G HA3 0.219 4.177 3.960 -0.004 0.000 0.217 310 G C 1.440 176.421 174.900 0.135 0.000 1.128 310 G CA 1.563 46.764 45.100 0.168 0.000 0.784 310 G HN 0.946 nan 8.290 nan 0.000 0.542 311 A N 1.096 123.992 122.820 0.127 0.000 1.883 311 A HA -0.031 4.287 4.320 -0.004 0.000 0.217 311 A C 2.698 180.287 177.584 0.008 0.000 1.186 311 A CA 2.211 54.286 52.037 0.064 0.000 0.624 311 A CB -0.704 18.329 19.000 0.056 0.000 0.822 311 A HN 0.299 nan 8.150 nan 0.000 0.444 312 S N -0.135 115.579 115.700 0.024 0.000 2.359 312 S HA -0.194 4.274 4.470 -0.004 0.000 0.223 312 S C 1.762 176.481 174.600 0.197 0.000 1.039 312 S CA 1.728 59.961 58.200 0.054 0.000 1.042 312 S CB -0.473 62.834 63.200 0.178 0.000 0.915 312 S HN 0.427 nan 8.310 nan 0.000 0.439 313 I N 1.749 122.416 120.570 0.162 0.000 2.335 313 I HA -0.172 3.996 4.170 -0.004 0.000 0.251 313 I C 2.469 178.644 176.117 0.097 0.000 1.129 313 I CA 1.190 62.571 61.300 0.135 0.000 1.402 313 I CB -0.916 37.160 38.000 0.127 0.000 1.069 313 I HN 0.331 nan 8.210 nan 0.000 0.424 314 Q N -1.425 118.431 119.800 0.094 0.000 2.119 314 Q HA -0.253 4.085 4.340 -0.004 0.000 0.201 314 Q C 2.157 178.196 176.000 0.065 0.000 0.972 314 Q CA 1.563 57.404 55.803 0.064 0.000 0.847 314 Q CB -0.275 28.496 28.738 0.055 0.000 0.903 314 Q HN 0.608 nan 8.270 nan 0.000 0.433 315 W N 1.186 122.411 121.300 -0.125 0.000 2.315 315 W HA -0.274 4.384 4.660 -0.004 0.000 0.323 315 W C 1.457 177.916 176.519 -0.101 0.000 1.233 315 W CA 1.631 58.876 57.345 -0.167 0.000 1.267 315 W CB -0.644 28.617 29.460 -0.333 0.000 1.160 315 W HN 0.086 nan 8.180 nan 0.000 0.474 316 L N 0.467 121.551 121.223 -0.231 0.000 1.997 316 L HA -0.315 4.023 4.340 -0.004 0.000 0.216 316 L C 2.921 179.596 176.870 -0.324 0.000 1.074 316 L CA 2.370 56.955 54.840 -0.426 0.000 0.763 316 L CB -1.137 40.837 42.059 -0.142 0.000 0.890 316 L HN 0.133 nan 8.230 nan 0.000 0.434 317 R N -0.347 120.054 120.500 -0.165 0.000 2.073 317 R HA -0.156 4.182 4.340 -0.004 0.000 0.229 317 R C 1.606 177.831 176.300 -0.125 0.000 1.120 317 R CA 1.944 57.972 56.100 -0.119 0.000 0.967 317 R CB -0.066 30.211 30.300 -0.039 0.000 0.862 317 R HN 0.285 nan 8.270 nan 0.000 0.436 318 D N -0.563 119.766 120.400 -0.118 0.000 2.277 318 D HA -0.015 4.622 4.640 -0.004 0.000 0.209 318 D C 1.353 177.587 176.300 -0.110 0.000 0.970 318 D CA 0.813 54.763 54.000 -0.085 0.000 0.874 318 D CB 0.430 41.212 40.800 -0.030 0.000 0.982 318 D HN 0.214 nan 8.370 nan 0.000 0.504 319 E N -0.909 119.170 120.200 -0.202 0.000 2.152 319 E HA 0.120 4.468 4.350 -0.004 0.000 0.195 319 E C 1.652 178.044 176.600 -0.347 0.000 0.934 319 E CA 0.342 56.612 56.400 -0.217 0.000 0.869 319 E CB 0.158 29.781 29.700 -0.129 0.000 0.842 319 E HN -0.092 nan 8.360 nan 0.000 0.472 320 M N 0.339 119.563 119.600 -0.625 0.000 2.319 320 M HA 0.066 4.544 4.480 -0.004 0.000 0.265 320 M C 0.685 176.777 176.300 -0.347 0.000 1.068 320 M CA 0.872 55.828 55.300 -0.574 0.000 1.118 320 M CB -0.329 31.765 32.600 -0.844 0.000 1.395 320 M HN -0.010 nan 8.290 nan 0.000 0.435 321 K N -1.180 119.036 120.400 -0.307 0.000 3.407 321 K HA -0.172 4.146 4.320 -0.004 0.000 0.312 321 K C 0.797 177.272 176.600 -0.208 0.000 1.302 321 K CA 0.426 56.592 56.287 -0.201 0.000 0.931 321 K CB -1.960 30.451 32.500 -0.148 0.000 1.257 321 K HN 0.337 nan 8.250 nan 0.000 0.454 322 L N 0.407 121.464 121.223 -0.276 0.000 2.456 322 L HA 0.028 4.365 4.340 -0.004 0.000 0.224 322 L C 1.216 177.907 176.870 -0.298 0.000 1.148 322 L CA 0.967 55.631 54.840 -0.294 0.000 0.825 322 L CB -0.376 41.477 42.059 -0.344 0.000 0.937 322 L HN 0.317 nan 8.230 nan 0.000 0.450 323 I N -6.252 114.195 120.570 -0.205 0.000 2.969 323 I HA 0.351 4.518 4.170 -0.004 0.000 0.307 323 I C 0.136 176.235 176.117 -0.030 0.000 1.149 323 I CA -0.873 60.357 61.300 -0.117 0.000 1.008 323 I CB 1.656 39.619 38.000 -0.063 0.000 1.232 323 I HN -0.232 nan 8.210 nan 0.000 0.435 324 N N 1.098 119.829 118.700 0.052 0.000 2.368 324 N HA 0.075 4.813 4.740 -0.004 0.000 0.178 324 N C -0.545 175.003 175.510 0.063 0.000 1.021 324 N CA 0.918 54.000 53.050 0.053 0.000 0.875 324 N CB 0.299 38.820 38.487 0.058 0.000 1.020 324 N HN 0.708 nan 8.380 nan 0.000 0.433 325 D N -1.656 118.806 120.400 0.104 0.000 2.732 325 D HA 0.518 5.156 4.640 -0.004 0.000 0.229 325 D C 0.079 176.465 176.300 0.144 0.000 1.152 325 D CA -0.555 53.515 54.000 0.116 0.000 0.854 325 D CB 1.827 42.711 40.800 0.141 0.000 1.590 325 D HN -0.009 nan 8.370 nan 0.000 0.468 326 A N 2.123 125.028 122.820 0.141 0.000 2.019 326 A HA -0.172 4.145 4.320 -0.004 0.000 0.219 326 A C 1.710 179.420 177.584 0.211 0.000 1.164 326 A CA 1.160 53.289 52.037 0.154 0.000 0.644 326 A CB -0.782 18.298 19.000 0.133 0.000 0.805 326 A HN 0.673 nan 8.150 nan 0.000 0.449 327 Y N 1.256 121.604 120.300 0.081 0.000 2.421 327 Y HA -0.149 4.400 4.550 -0.002 0.000 0.292 327 Y C 1.582 177.547 175.900 0.108 0.000 1.136 327 Y CA 1.159 59.306 58.100 0.077 0.000 1.255 327 Y CB -0.230 38.259 38.460 0.048 0.000 0.991 327 Y HN 0.375 nan 8.280 nan 0.000 0.552 328 D N -0.583 119.892 120.400 0.124 0.000 2.092 328 D HA -0.230 4.408 4.640 -0.004 0.000 0.193 328 D C 2.462 178.904 176.300 0.237 0.000 0.994 328 D CA 1.977 56.087 54.000 0.184 0.000 0.828 328 D CB -0.721 40.311 40.800 0.386 0.000 0.963 328 D HN 0.453 nan 8.370 nan 0.000 0.450 329 S N 1.179 117.029 115.700 0.250 0.000 2.426 329 S HA -0.400 4.068 4.470 -0.004 0.000 0.253 329 S C 1.916 176.563 174.600 0.078 0.000 1.104 329 S CA 2.153 60.469 58.200 0.193 0.000 1.158 329 S CB -1.000 62.281 63.200 0.134 0.000 1.043 329 S HN 0.659 nan 8.310 nan 0.000 0.443 330 E N 0.495 120.694 120.200 -0.002 0.000 2.072 330 E HA -0.235 4.113 4.350 -0.004 0.000 0.191 330 E C 2.021 178.513 176.600 -0.179 0.000 0.985 330 E CA 1.176 57.530 56.400 -0.076 0.000 0.801 330 E CB -0.700 29.007 29.700 0.011 0.000 0.750 330 E HN 0.647 nan 8.360 nan 0.000 0.452 331 Y N 1.428 121.522 120.300 -0.345 0.000 2.030 331 Y HA -0.277 4.272 4.550 -0.001 0.000 0.274 331 Y C 1.839 177.447 175.900 -0.486 0.000 1.153 331 Y CA 1.851 59.670 58.100 -0.468 0.000 1.115 331 Y CB -1.031 37.052 38.460 -0.628 0.000 0.969 331 Y HN 0.044 nan 8.280 nan 0.000 0.488 332 F N 0.523 120.048 119.950 -0.709 0.000 2.147 332 F HA -0.238 4.287 4.527 -0.004 0.000 0.301 332 F C 2.703 178.186 175.800 -0.528 0.000 1.084 332 F CA 1.714 59.293 58.000 -0.701 0.000 1.268 332 F CB -1.341 37.408 39.000 -0.418 0.000 1.009 332 F HN 0.227 nan 8.300 nan 0.000 0.486 333 A N -0.551 122.093 122.820 -0.294 0.000 2.014 333 A HA -0.118 4.200 4.320 -0.004 0.000 0.218 333 A C 2.149 179.381 177.584 -0.587 0.000 1.163 333 A CA 1.778 53.538 52.037 -0.462 0.000 0.652 333 A CB -1.220 17.384 19.000 -0.661 0.000 0.808 333 A HN 0.417 nan 8.150 nan 0.000 0.449 334 T N -3.148 111.086 114.554 -0.534 0.000 3.081 334 T HA 0.098 4.445 4.350 -0.004 0.000 0.255 334 T C 1.632 176.158 174.700 -0.290 0.000 1.113 334 T CA 0.695 62.550 62.100 -0.410 0.000 1.082 334 T CB -0.017 68.674 68.868 -0.295 0.000 0.939 334 T HN 0.334 nan 8.240 nan 0.000 0.506 335 K N 1.316 121.506 120.400 -0.351 0.000 2.097 335 K HA 0.026 4.344 4.320 -0.004 0.000 0.205 335 K C 1.654 178.105 176.600 -0.248 0.000 1.050 335 K CA 1.134 57.241 56.287 -0.300 0.000 0.938 335 K CB -0.482 31.773 32.500 -0.409 0.000 0.718 335 K HN 0.536 nan 8.250 nan 0.000 0.442 336 V N -1.736 117.998 119.914 -0.300 0.000 3.882 336 V HA 0.096 4.214 4.120 -0.004 0.000 0.271 336 V C 0.944 176.925 176.094 -0.187 0.000 1.026 336 V CA -0.298 61.821 62.300 -0.301 0.000 0.841 336 V CB 0.551 32.076 31.823 -0.497 0.000 1.206 336 V HN 0.152 nan 8.190 nan 0.000 0.404 337 Q N -0.343 119.387 119.800 -0.117 0.000 1.892 337 Q HA 0.246 4.584 4.340 -0.004 0.000 0.200 337 Q C -0.702 175.285 176.000 -0.021 0.000 0.726 337 Q CA 0.286 56.053 55.803 -0.060 0.000 0.853 337 Q CB 0.795 29.517 28.738 -0.026 0.000 1.211 337 Q HN 1.038 nan 8.270 nan 0.000 0.420 338 N N -1.126 117.575 118.700 0.002 0.000 3.243 338 N HA 0.191 4.928 4.740 -0.004 0.000 0.280 338 N C -0.091 175.470 175.510 0.086 0.000 1.545 338 N CA -0.365 52.703 53.050 0.030 0.000 0.854 338 N CB 0.362 38.886 38.487 0.061 0.000 1.612 338 N HN -0.127 nan 8.380 nan 0.000 0.577 339 T N -4.237 110.367 114.554 0.083 0.000 3.176 339 T HA 0.275 4.623 4.350 -0.004 0.000 0.263 339 T C 0.232 174.984 174.700 0.086 0.000 1.021 339 T CA -0.199 61.989 62.100 0.146 0.000 0.905 339 T CB -0.873 67.997 68.868 0.003 0.000 1.057 339 T HN 0.632 nan 8.240 nan 0.000 0.558 340 N N 1.352 120.076 118.700 0.040 0.000 2.725 340 N HA -0.175 4.563 4.740 -0.004 0.000 0.249 340 N C 1.025 176.485 175.510 -0.083 0.000 1.103 340 N CA 1.312 54.278 53.050 -0.141 0.000 0.707 340 N CB -1.584 36.540 38.487 -0.606 0.000 1.043 340 N HN 1.108 nan 8.380 nan 0.000 0.553 341 G N -2.412 106.375 108.800 -0.023 0.000 2.198 341 G HA2 -0.284 3.674 3.960 -0.004 0.000 0.260 341 G HA3 -0.284 3.674 3.960 -0.004 0.000 0.260 341 G C 0.089 174.992 174.900 0.006 0.000 1.025 341 G CA 0.406 45.509 45.100 0.005 0.000 0.769 341 G HN 0.579 nan 8.290 nan 0.000 0.507 342 V N -0.070 119.821 119.914 -0.038 0.000 2.539 342 V HA 0.693 4.811 4.120 -0.004 0.000 0.292 342 V C 0.006 176.103 176.094 0.006 0.000 1.045 342 V CA -0.607 61.722 62.300 0.049 0.000 0.945 342 V CB 1.295 33.146 31.823 0.046 0.000 0.993 342 V HN 0.252 nan 8.190 nan 0.000 0.464 343 Y N 2.079 122.517 120.300 0.231 0.000 2.462 343 Y HA 0.641 5.189 4.550 -0.003 0.000 0.346 343 Y C -0.096 175.997 175.900 0.321 0.000 0.976 343 Y CA -0.910 57.376 58.100 0.311 0.000 1.044 343 Y CB 2.117 40.741 38.460 0.273 0.000 1.230 343 Y HN 0.311 nan 8.280 nan 0.000 0.455 344 V N 3.761 123.998 119.914 0.538 0.000 2.435 344 V HA 0.528 4.646 4.120 -0.004 0.000 0.290 344 V C -0.746 175.606 176.094 0.429 0.000 1.030 344 V CA -0.914 61.623 62.300 0.396 0.000 0.881 344 V CB 1.519 33.549 31.823 0.346 0.000 0.983 344 V HN 0.528 nan 8.190 nan 0.000 0.445 345 V N 6.397 126.421 119.914 0.183 0.000 2.325 345 V HA 0.367 4.484 4.120 -0.004 0.000 0.280 345 V C -2.421 173.587 176.094 -0.144 0.000 1.016 345 V CA -1.667 60.670 62.300 0.061 0.000 0.818 345 V CB 1.738 33.481 31.823 -0.133 0.000 1.019 345 V HN 0.782 nan 8.190 nan 0.000 0.434 346 P HA 0.391 nan 4.420 nan 0.000 0.241 346 P C 0.143 177.422 177.300 -0.035 0.000 1.780 346 P CA -0.069 63.054 63.100 0.039 0.000 1.111 346 P CB 1.017 33.011 31.700 0.490 0.000 1.852 347 A N 1.446 123.995 122.820 -0.452 0.000 2.631 347 A HA 0.314 4.632 4.320 -0.004 0.000 0.294 347 A C 0.954 178.350 177.584 -0.313 0.000 1.156 347 A CA -0.392 51.504 52.037 -0.234 0.000 0.963 347 A CB -0.904 17.960 19.000 -0.227 0.000 1.202 347 A HN 0.154 nan 8.150 nan 0.000 0.523 348 F N -0.385 119.477 119.950 -0.148 0.000 2.236 348 F HA -0.127 4.397 4.527 -0.005 0.000 0.302 348 F C 2.069 177.787 175.800 -0.137 0.000 1.073 348 F CA 2.025 59.900 58.000 -0.208 0.000 1.336 348 F CB -0.184 38.646 39.000 -0.285 0.000 1.040 348 F HN 0.236 nan 8.300 nan 0.000 0.507 349 T N -0.295 114.328 114.554 0.115 0.000 3.252 349 T HA 0.519 4.867 4.350 -0.004 0.000 0.286 349 T C 0.312 175.024 174.700 0.019 0.000 1.013 349 T CA 0.523 62.634 62.100 0.020 0.000 0.914 349 T CB -0.624 68.215 68.868 -0.049 0.000 1.131 349 T HN 0.562 nan 8.240 nan 0.000 0.529 350 G N 0.911 109.763 108.800 0.087 0.000 2.660 350 G HA2 -0.101 3.857 3.960 -0.004 0.000 0.247 350 G HA3 -0.101 3.857 3.960 -0.004 0.000 0.247 350 G C -0.094 174.951 174.900 0.242 0.000 1.328 350 G CA -0.539 44.645 45.100 0.140 0.000 0.884 350 G HN 0.125 nan 8.290 nan 0.000 0.531 351 L N 1.435 122.765 121.223 0.178 0.000 2.185 351 L HA 0.567 4.905 4.340 -0.004 0.000 0.198 351 L C 2.191 178.818 176.870 -0.404 0.000 1.079 351 L CA 3.057 57.889 54.840 -0.012 0.000 0.780 351 L CB -1.343 40.689 42.059 -0.045 0.000 0.955 351 L HN 2.687 nan 8.230 nan 0.000 0.462 352 G N -1.190 107.258 108.800 -0.586 0.000 2.758 352 G HA2 0.044 4.002 3.960 -0.004 0.000 0.686 352 G HA3 0.044 4.002 3.960 -0.004 0.000 0.686 352 G C 0.044 173.865 174.900 -1.798 0.000 1.389 352 G CA -0.532 43.505 45.100 -1.772 0.000 0.845 352 G HN 0.686 nan 8.290 nan 0.000 0.572 353 A N 1.377 122.773 122.820 -2.372 0.000 2.587 353 A HA 0.516 4.833 4.320 -0.004 0.000 0.233 353 A C -0.526 176.548 177.584 -0.851 0.000 1.049 353 A CA 0.633 51.812 52.037 -1.430 0.000 0.754 353 A CB 0.199 18.966 19.000 -0.387 0.000 0.977 353 A HN 0.621 nan 8.150 nan 0.000 0.509 354 P HA 0.105 nan 4.420 nan 0.000 0.255 354 P C 0.126 177.051 177.300 -0.624 0.000 1.248 354 P CA 0.769 63.523 63.100 -0.578 0.000 0.807 354 P CB 0.009 31.403 31.700 -0.510 0.000 1.150 355 Y N -1.825 118.207 120.300 -0.447 0.000 2.231 355 Y HA 0.073 4.622 4.550 -0.003 0.000 0.294 355 Y C 0.389 176.155 175.900 -0.224 0.000 1.120 355 Y CA -0.153 57.797 58.100 -0.251 0.000 1.141 355 Y CB -1.230 37.120 38.460 -0.184 0.000 1.022 355 Y HN -0.190 nan 8.280 nan 0.000 0.523 356 W N 1.708 123.087 121.300 0.131 0.000 3.422 356 W HA -0.099 4.560 4.660 -0.002 0.000 0.444 356 W C -0.885 175.716 176.519 0.137 0.000 1.806 356 W CA 0.201 57.619 57.345 0.122 0.000 0.533 356 W CB -1.254 28.283 29.460 0.128 0.000 2.872 356 W HN 0.184 nan 8.180 nan 0.000 0.563 357 D N 2.549 123.067 120.400 0.196 0.000 2.319 357 D HA 0.254 4.891 4.640 -0.004 0.000 0.237 357 D C -1.526 174.820 176.300 0.077 0.000 1.353 357 D CA -1.910 52.175 54.000 0.143 0.000 0.992 357 D CB 1.499 42.375 40.800 0.126 0.000 1.368 357 D HN -0.046 nan 8.370 nan 0.000 0.564 358 P HA 0.009 nan 4.420 nan 0.000 0.241 358 P C 0.604 177.695 177.300 -0.348 0.000 1.191 358 P CA 0.403 63.372 63.100 -0.219 0.000 0.771 358 P CB 0.093 31.523 31.700 -0.450 0.000 0.929 359 Y N 0.033 120.400 120.300 0.112 0.000 2.500 359 Y HA 0.377 4.925 4.550 -0.004 0.000 0.270 359 Y C 1.640 177.629 175.900 0.148 0.000 1.134 359 Y CA -0.495 57.686 58.100 0.135 0.000 1.293 359 Y CB -0.801 37.766 38.460 0.178 0.000 1.063 359 Y HN -0.125 nan 8.280 nan 0.000 0.534 360 A N 1.415 124.356 122.820 0.201 0.000 2.407 360 A HA 0.578 4.896 4.320 -0.004 0.000 0.248 360 A C 0.273 177.891 177.584 0.057 0.000 1.082 360 A CA -0.381 51.728 52.037 0.120 0.000 0.785 360 A CB 0.386 19.394 19.000 0.014 0.000 1.020 360 A HN 0.108 nan 8.150 nan 0.000 0.489 361 R N 0.580 121.062 120.500 -0.029 0.000 2.912 361 R HA 0.533 4.871 4.340 -0.004 0.000 0.262 361 R C 0.402 176.436 176.300 -0.443 0.000 1.057 361 R CA -0.289 55.691 56.100 -0.200 0.000 0.981 361 R CB 1.099 31.280 30.300 -0.199 0.000 1.201 361 R HN 0.916 nan 8.270 nan 0.000 0.484 362 G N -0.035 108.348 108.800 -0.696 0.000 2.414 362 G HA2 0.405 4.363 3.960 -0.004 0.000 0.236 362 G HA3 0.405 4.363 3.960 -0.004 0.000 0.236 362 G C -0.718 173.771 174.900 -0.685 0.000 1.293 362 G CA 0.242 44.750 45.100 -0.986 0.000 0.869 362 G HN 0.591 nan 8.290 nan 0.000 0.556 363 A N 1.811 124.304 122.820 -0.546 0.000 2.574 363 A HA 0.702 5.020 4.320 -0.004 0.000 0.297 363 A C -0.663 176.654 177.584 -0.444 0.000 1.062 363 A CA -0.677 51.040 52.037 -0.534 0.000 0.686 363 A CB 1.289 19.916 19.000 -0.621 0.000 1.285 363 A HN 0.717 nan 8.150 nan 0.000 0.403 364 I N 1.227 121.428 120.570 -0.616 0.000 2.433 364 I HA 0.638 4.806 4.170 -0.004 0.000 0.292 364 I C -1.228 174.523 176.117 -0.610 0.000 1.001 364 I CA -0.351 60.725 61.300 -0.374 0.000 1.119 364 I CB 1.530 39.459 38.000 -0.118 0.000 1.289 364 I HN 0.554 nan 8.210 nan 0.000 0.438 365 F N 1.281 121.246 119.950 0.024 0.000 2.611 365 F HA 0.671 5.196 4.527 -0.003 0.000 0.324 365 F C 1.079 176.921 175.800 0.070 0.000 1.061 365 F CA -0.845 57.171 58.000 0.026 0.000 0.954 365 F CB 1.550 40.551 39.000 0.002 0.000 1.301 365 F HN 0.668 nan 8.300 nan 0.000 0.482 366 G N 1.014 109.976 108.800 0.271 0.000 2.160 366 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.251 366 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.251 366 G C -0.270 174.671 174.900 0.068 0.000 1.008 366 G CA -0.255 44.940 45.100 0.158 0.000 0.724 366 G HN 0.537 nan 8.290 nan 0.000 0.514 367 L N 0.847 122.093 121.223 0.038 0.000 2.456 367 L HA 0.558 4.896 4.340 -0.004 0.000 0.272 367 L C 1.064 177.926 176.870 -0.013 0.000 1.189 367 L CA 0.625 55.464 54.840 -0.002 0.000 0.846 367 L CB 0.516 42.565 42.059 -0.017 0.000 1.111 367 L HN 0.424 nan 8.230 nan 0.000 0.475 368 T N -1.533 113.001 114.554 -0.034 0.000 2.816 368 T HA 0.349 4.697 4.350 -0.004 0.000 0.299 368 T C 0.708 175.385 174.700 -0.038 0.000 1.230 368 T CA -1.046 61.034 62.100 -0.032 0.000 1.007 368 T CB 1.652 70.498 68.868 -0.037 0.000 1.289 368 T HN 0.447 nan 8.240 nan 0.000 0.508 369 R N 0.127 120.610 120.500 -0.028 0.000 2.159 369 R HA -0.021 4.317 4.340 -0.004 0.000 0.237 369 R C 2.042 178.327 176.300 -0.025 0.000 1.131 369 R CA 1.528 57.614 56.100 -0.023 0.000 0.982 369 R CB -0.539 29.752 30.300 -0.015 0.000 0.868 369 R HN 0.827 nan 8.270 nan 0.000 0.453 370 G N 0.155 108.930 108.800 -0.042 0.000 3.088 370 G HA2 0.113 4.071 3.960 -0.004 0.000 0.217 370 G HA3 0.113 4.071 3.960 -0.004 0.000 0.217 370 G C 0.223 175.075 174.900 -0.081 0.000 1.159 370 G CA -0.304 44.772 45.100 -0.039 0.000 0.760 370 G HN -0.029 nan 8.290 nan 0.000 0.550 371 V N 2.191 122.037 119.914 -0.114 0.000 2.508 371 V HA 0.267 4.385 4.120 -0.004 0.000 0.281 371 V C 0.033 176.143 176.094 0.027 0.000 1.041 371 V CA -0.580 61.616 62.300 -0.175 0.000 1.016 371 V CB 0.574 32.309 31.823 -0.146 0.000 0.984 371 V HN 0.630 nan 8.190 nan 0.000 0.478 372 N N 4.191 123.054 118.700 0.272 0.000 2.545 372 N HA 0.687 5.425 4.740 -0.004 0.000 0.289 372 N C 0.826 176.394 175.510 0.096 0.000 1.279 372 N CA -0.212 52.931 53.050 0.154 0.000 0.824 372 N CB 1.364 39.918 38.487 0.111 0.000 1.395 372 N HN 0.456 nan 8.380 nan 0.000 0.526 373 A N 1.008 123.815 122.820 -0.021 0.000 1.873 373 A HA -0.386 3.931 4.320 -0.004 0.000 0.219 373 A C 1.808 179.314 177.584 -0.130 0.000 1.269 373 A CA 2.643 54.618 52.037 -0.104 0.000 0.671 373 A CB -1.782 17.109 19.000 -0.181 0.000 0.842 373 A HN 0.821 nan 8.150 nan 0.000 0.460 374 N N -0.889 117.704 118.700 -0.177 0.000 2.073 374 N HA -0.239 4.498 4.740 -0.004 0.000 0.199 374 N C 1.454 176.848 175.510 -0.192 0.000 1.023 374 N CA 2.251 55.182 53.050 -0.199 0.000 0.880 374 N CB -0.656 37.699 38.487 -0.220 0.000 1.052 374 N HN 0.793 nan 8.380 nan 0.000 0.449 375 H N -0.361 118.663 119.070 -0.076 0.000 2.352 375 H HA -0.010 4.542 4.556 -0.007 0.000 0.299 375 H C 2.020 177.326 175.328 -0.036 0.000 1.097 375 H CA 1.313 57.326 56.048 -0.060 0.000 1.311 375 H CB -0.044 29.694 29.762 -0.040 0.000 1.377 375 H HN 0.198 nan 8.280 nan 0.000 0.504 376 I N 0.160 120.793 120.570 0.105 0.000 2.142 376 I HA -0.265 3.903 4.170 -0.004 0.000 0.240 376 I C 2.131 178.290 176.117 0.071 0.000 1.078 376 I CA 1.301 62.652 61.300 0.085 0.000 1.343 376 I CB -0.368 37.665 38.000 0.055 0.000 1.046 376 I HN 0.266 nan 8.210 nan 0.000 0.405 377 I N 0.564 121.132 120.570 -0.003 0.000 2.068 377 I HA -0.413 3.755 4.170 -0.004 0.000 0.238 377 I C 2.835 178.975 176.117 0.039 0.000 1.046 377 I CA 1.733 63.031 61.300 -0.005 0.000 1.306 377 I CB -0.539 37.409 38.000 -0.087 0.000 1.023 377 I HN 0.258 nan 8.210 nan 0.000 0.399 378 R N 1.178 121.667 120.500 -0.018 0.000 2.139 378 R HA -0.232 4.106 4.340 -0.004 0.000 0.243 378 R C 2.211 178.554 176.300 0.072 0.000 1.145 378 R CA 1.691 57.780 56.100 -0.018 0.000 0.976 378 R CB -0.269 29.938 30.300 -0.155 0.000 0.866 378 R HN 0.432 nan 8.270 nan 0.000 0.449 379 A N 0.311 123.185 122.820 0.091 0.000 1.873 379 A HA -0.114 4.203 4.320 -0.004 0.000 0.215 379 A C 2.151 179.870 177.584 0.224 0.000 1.186 379 A CA 1.892 54.016 52.037 0.146 0.000 0.616 379 A CB -0.923 18.174 19.000 0.162 0.000 0.823 379 A HN 0.489 nan 8.150 nan 0.000 0.442 380 T N 1.127 115.816 114.554 0.225 0.000 2.570 380 T HA -0.233 4.115 4.350 -0.004 0.000 0.266 380 T C 1.825 176.664 174.700 0.232 0.000 1.071 380 T CA 1.752 64.009 62.100 0.262 0.000 1.172 380 T CB -0.704 68.330 68.868 0.277 0.000 0.864 380 T HN 0.374 nan 8.240 nan 0.000 0.421 381 L N 0.849 122.196 121.223 0.206 0.000 2.010 381 L HA -0.234 4.104 4.340 -0.004 0.000 0.219 381 L C 2.839 179.803 176.870 0.157 0.000 1.077 381 L CA 1.855 56.819 54.840 0.206 0.000 0.773 381 L CB -0.860 41.398 42.059 0.332 0.000 0.892 381 L HN 0.424 nan 8.230 nan 0.000 0.436 382 E N 0.075 120.359 120.200 0.140 0.000 2.130 382 E HA -0.247 4.101 4.350 -0.004 0.000 0.196 382 E C 2.238 178.790 176.600 -0.080 0.000 0.998 382 E CA 1.743 58.174 56.400 0.052 0.000 0.806 382 E CB -0.174 29.476 29.700 -0.083 0.000 0.738 382 E HN 0.627 nan 8.360 nan 0.000 0.459 383 S N 0.496 116.283 115.700 0.145 0.000 2.442 383 S HA -0.110 4.358 4.470 -0.004 0.000 0.236 383 S C 1.962 176.560 174.600 -0.004 0.000 1.007 383 S CA 0.590 58.898 58.200 0.180 0.000 0.965 383 S CB -0.313 63.157 63.200 0.451 0.000 0.773 383 S HN 0.180 nan 8.310 nan 0.000 0.504 384 I N 1.872 122.462 120.570 0.033 0.000 2.235 384 I HA -0.021 4.146 4.170 -0.004 0.000 0.241 384 I C 3.031 179.110 176.117 -0.062 0.000 1.085 384 I CA 1.014 62.337 61.300 0.039 0.000 1.378 384 I CB -0.618 37.453 38.000 0.117 0.000 1.076 384 I HN 0.411 nan 8.210 nan 0.000 0.415 385 A N 0.010 122.728 122.820 -0.170 0.000 2.070 385 A HA -0.215 4.103 4.320 -0.004 0.000 0.220 385 A C 2.048 179.397 177.584 -0.392 0.000 1.159 385 A CA 1.439 53.282 52.037 -0.323 0.000 0.656 385 A CB -0.721 17.930 19.000 -0.583 0.000 0.800 385 A HN 0.379 nan 8.150 nan 0.000 0.453 386 Y N -0.260 119.787 120.300 -0.422 0.000 2.153 386 Y HA -0.153 4.394 4.550 -0.005 0.000 0.289 386 Y C 2.654 178.262 175.900 -0.488 0.000 1.127 386 Y CA 1.378 59.041 58.100 -0.728 0.000 1.131 386 Y CB -1.026 36.378 38.460 -1.760 0.000 0.995 386 Y HN 0.405 nan 8.280 nan 0.000 0.505 387 Q N -0.822 118.877 119.800 -0.169 0.000 2.197 387 Q HA -0.184 4.154 4.340 -0.004 0.000 0.207 387 Q C 2.081 178.060 176.000 -0.036 0.000 0.984 387 Q CA 2.206 58.036 55.803 0.046 0.000 0.869 387 Q CB -0.379 28.400 28.738 0.068 0.000 0.906 387 Q HN 0.420 nan 8.270 nan 0.000 0.426 388 T N 0.357 114.851 114.554 -0.099 0.000 2.701 388 T HA -0.182 4.166 4.350 -0.004 0.000 0.263 388 T C 1.682 176.317 174.700 -0.109 0.000 1.040 388 T CA 1.524 63.552 62.100 -0.119 0.000 1.147 388 T CB -0.214 68.585 68.868 -0.114 0.000 0.865 388 T HN 0.312 nan 8.240 nan 0.000 0.426 389 R N 1.090 121.504 120.500 -0.144 0.000 2.152 389 R HA -0.114 4.224 4.340 -0.004 0.000 0.232 389 R C 1.825 178.084 176.300 -0.068 0.000 1.117 389 R CA 1.503 57.491 56.100 -0.187 0.000 0.981 389 R CB -0.343 29.728 30.300 -0.382 0.000 0.870 389 R HN 0.216 nan 8.270 nan 0.000 0.451 390 D N 0.046 120.477 120.400 0.051 0.000 2.088 390 D HA -0.170 4.468 4.640 -0.004 0.000 0.191 390 D C 1.958 178.267 176.300 0.016 0.000 0.992 390 D CA 2.175 56.267 54.000 0.154 0.000 0.831 390 D CB -0.281 40.631 40.800 0.186 0.000 0.973 390 D HN 0.241 nan 8.370 nan 0.000 0.447 391 V N 0.028 119.913 119.914 -0.049 0.000 2.626 391 V HA -0.096 4.022 4.120 -0.004 0.000 0.252 391 V C 2.414 178.486 176.094 -0.037 0.000 1.067 391 V CA 1.175 63.435 62.300 -0.068 0.000 1.081 391 V CB -0.871 30.898 31.823 -0.089 0.000 0.686 391 V HN 0.197 nan 8.190 nan 0.000 0.468 392 L N 0.168 121.364 121.223 -0.045 0.000 2.131 392 L HA -0.156 4.182 4.340 -0.004 0.000 0.210 392 L C 2.590 179.447 176.870 -0.022 0.000 1.092 392 L CA 2.147 56.964 54.840 -0.039 0.000 0.759 392 L CB -0.281 41.741 42.059 -0.061 0.000 0.903 392 L HN 0.402 nan 8.230 nan 0.000 0.435 393 E N -0.008 120.183 120.200 -0.015 0.000 2.017 393 E HA -0.241 4.107 4.350 -0.004 0.000 0.193 393 E C 2.268 178.875 176.600 0.012 0.000 0.997 393 E CA 1.363 57.767 56.400 0.005 0.000 0.804 393 E CB -0.325 29.398 29.700 0.039 0.000 0.757 393 E HN 0.667 nan 8.360 nan 0.000 0.448 394 A N 0.718 123.544 122.820 0.010 0.000 1.917 394 A HA -0.299 4.019 4.320 -0.004 0.000 0.219 394 A C 2.125 179.722 177.584 0.023 0.000 1.182 394 A CA 1.977 54.023 52.037 0.015 0.000 0.633 394 A CB -0.575 18.429 19.000 0.007 0.000 0.819 394 A HN 0.220 nan 8.150 nan 0.000 0.448 395 M N 0.220 119.831 119.600 0.019 0.000 2.115 395 M HA -0.257 4.220 4.480 -0.004 0.000 0.258 395 M C 2.204 178.519 176.300 0.025 0.000 1.071 395 M CA 2.484 57.800 55.300 0.026 0.000 1.100 395 M CB -0.690 31.922 32.600 0.021 0.000 1.292 395 M HN 0.611 nan 8.290 nan 0.000 0.415 396 Q N -0.844 118.967 119.800 0.018 0.000 2.515 396 Q HA 0.117 4.455 4.340 -0.004 0.000 0.212 396 Q C 1.707 177.720 176.000 0.021 0.000 0.970 396 Q CA 0.812 56.627 55.803 0.020 0.000 0.941 396 Q CB -0.512 28.235 28.738 0.016 0.000 0.998 396 Q HN 0.581 nan 8.270 nan 0.000 0.518 397 A N 2.040 124.873 122.820 0.022 0.000 1.832 397 A HA -0.171 4.147 4.320 -0.004 0.000 0.214 397 A C 1.706 179.304 177.584 0.024 0.000 1.242 397 A CA 1.349 53.400 52.037 0.023 0.000 0.603 397 A CB -0.566 18.448 19.000 0.025 0.000 0.902 397 A HN 0.174 nan 8.150 nan 0.000 0.455 398 D N 0.206 120.622 120.400 0.027 0.000 2.127 398 D HA -0.188 4.450 4.640 -0.004 0.000 0.190 398 D C 2.486 178.802 176.300 0.027 0.000 1.000 398 D CA 2.347 56.364 54.000 0.028 0.000 0.839 398 D CB -0.448 40.374 40.800 0.036 0.000 0.955 398 D HN 0.532 nan 8.370 nan 0.000 0.446 399 S N -0.673 115.046 115.700 0.030 0.000 2.402 399 S HA -0.014 4.454 4.470 -0.004 0.000 0.229 399 S C 1.975 176.592 174.600 0.029 0.000 1.021 399 S CA 1.846 60.065 58.200 0.032 0.000 0.974 399 S CB -0.183 63.038 63.200 0.036 0.000 0.800 399 S HN 0.430 nan 8.310 nan 0.000 0.484 400 G N 0.819 109.635 108.800 0.027 0.000 2.220 400 G HA2 -0.322 3.635 3.960 -0.004 0.000 0.269 400 G HA3 -0.322 3.635 3.960 -0.004 0.000 0.269 400 G C 0.104 175.024 174.900 0.033 0.000 0.977 400 G CA 0.575 45.691 45.100 0.027 0.000 0.634 400 G HN 1.202 nan 8.290 nan 0.000 0.539 401 I N -0.143 120.450 120.570 0.038 0.000 2.353 401 I HA 0.666 4.834 4.170 -0.004 0.000 0.293 401 I C 0.361 176.511 176.117 0.056 0.000 0.992 401 I CA -1.700 59.630 61.300 0.050 0.000 1.268 401 I CB 1.097 39.127 38.000 0.050 0.000 1.387 401 I HN 0.048 nan 8.210 nan 0.000 0.478 402 R N 6.710 127.256 120.500 0.077 0.000 2.419 402 R HA 0.323 4.661 4.340 -0.004 0.000 0.305 402 R C -1.099 175.274 176.300 0.122 0.000 1.242 402 R CA -0.808 55.329 56.100 0.062 0.000 1.105 402 R CB -0.074 30.253 30.300 0.044 0.000 1.116 402 R HN 0.627 nan 8.270 nan 0.000 0.523 403 L N 3.792 125.064 121.223 0.081 0.000 2.513 403 L HA -0.022 4.316 4.340 -0.004 0.000 0.272 403 L C 1.365 178.289 176.870 0.089 0.000 1.187 403 L CA 0.507 55.415 54.840 0.112 0.000 0.895 403 L CB 0.174 42.267 42.059 0.057 0.000 1.147 403 L HN 0.486 nan 8.230 nan 0.000 0.483 404 H N 1.905 120.977 119.070 0.004 0.000 2.470 404 H HA 0.414 4.968 4.556 -0.003 0.000 0.289 404 H C 0.392 175.722 175.328 0.004 0.000 1.033 404 H CA 0.731 56.781 56.048 0.003 0.000 1.331 404 H CB 0.359 30.124 29.762 0.005 0.000 1.414 404 H HN 0.682 nan 8.280 nan 0.000 0.545 405 A N 0.149 123.033 122.820 0.108 0.000 2.532 405 A HA 0.372 4.690 4.320 -0.004 0.000 0.296 405 A C -1.343 176.274 177.584 0.055 0.000 1.058 405 A CA -0.694 51.381 52.037 0.064 0.000 0.729 405 A CB 0.977 20.019 19.000 0.070 0.000 1.285 405 A HN 0.161 nan 8.150 nan 0.000 0.396 406 L N 2.078 123.325 121.223 0.041 0.000 2.305 406 L HA 0.613 4.951 4.340 -0.004 0.000 0.281 406 L C 0.266 177.174 176.870 0.063 0.000 1.085 406 L CA -0.608 54.259 54.840 0.045 0.000 0.813 406 L CB 1.150 43.228 42.059 0.032 0.000 1.157 406 L HN 0.941 nan 8.230 nan 0.000 0.436 407 R N 3.406 123.946 120.500 0.067 0.000 2.349 407 R HA 0.617 4.955 4.340 -0.004 0.000 0.299 407 R C -1.438 174.921 176.300 0.098 0.000 1.027 407 R CA -0.236 55.909 56.100 0.075 0.000 0.958 407 R CB 1.468 31.805 30.300 0.062 0.000 1.047 407 R HN 0.473 nan 8.270 nan 0.000 0.468 408 V N 3.206 123.186 119.914 0.111 0.000 3.141 408 V HA 0.603 4.721 4.120 -0.004 0.000 0.312 408 V C -1.284 174.898 176.094 0.148 0.000 1.157 408 V CA -0.214 62.184 62.300 0.163 0.000 1.041 408 V CB 2.507 34.435 31.823 0.176 0.000 1.071 408 V HN 1.100 nan 8.190 nan 0.000 0.441 409 D N -0.038 120.487 120.400 0.209 0.000 2.710 409 D HA 0.702 5.340 4.640 -0.004 0.000 0.276 409 D C -0.516 175.928 176.300 0.240 0.000 1.267 409 D CA 0.285 54.386 54.000 0.168 0.000 0.772 409 D CB 1.581 42.446 40.800 0.108 0.000 1.299 409 D HN 1.340 nan 8.370 nan 0.000 0.421 410 G N -1.762 107.144 108.800 0.176 0.000 2.357 410 G HA2 0.442 4.400 3.960 -0.004 0.000 0.643 410 G HA3 0.442 4.400 3.960 -0.004 0.000 0.643 410 G C 0.621 175.608 174.900 0.145 0.000 1.358 410 G CA -0.026 45.186 45.100 0.187 0.000 0.986 410 G HN 1.202 nan 8.290 nan 0.000 0.620 411 G N -0.127 108.755 108.800 0.137 0.000 2.422 411 G HA2 0.267 4.225 3.960 -0.004 0.000 0.218 411 G HA3 0.267 4.225 3.960 -0.004 0.000 0.218 411 G C 1.949 176.909 174.900 0.099 0.000 1.146 411 G CA 2.325 47.487 45.100 0.105 0.000 0.769 411 G HN 1.958 nan 8.290 nan 0.000 0.547 412 A N 0.533 123.429 122.820 0.125 0.000 2.239 412 A HA 0.232 4.550 4.320 -0.004 0.000 0.209 412 A C 2.296 179.864 177.584 -0.026 0.000 1.171 412 A CA 1.301 53.390 52.037 0.086 0.000 0.768 412 A CB -0.390 18.689 19.000 0.132 0.000 0.790 412 A HN 0.861 nan 8.150 nan 0.000 0.478 413 V N -3.579 116.305 119.914 -0.050 0.000 3.510 413 V HA 0.244 4.362 4.120 -0.004 0.000 0.270 413 V C 1.917 177.975 176.094 -0.060 0.000 1.201 413 V CA 0.972 63.175 62.300 -0.163 0.000 1.166 413 V CB -1.149 30.586 31.823 -0.147 0.000 0.825 413 V HN 0.414 nan 8.190 nan 0.000 0.484 414 A N 0.883 123.719 122.820 0.026 0.000 2.070 414 A HA -0.090 4.228 4.320 -0.004 0.000 0.220 414 A C 1.339 179.010 177.584 0.144 0.000 1.159 414 A CA 1.145 53.240 52.037 0.097 0.000 0.656 414 A CB -0.957 18.116 19.000 0.122 0.000 0.800 414 A HN 0.655 nan 8.150 nan 0.000 0.453 415 N N 1.076 119.818 118.700 0.071 0.000 2.406 415 N HA 0.048 4.786 4.740 -0.004 0.000 0.265 415 N C 0.824 176.313 175.510 -0.034 0.000 1.203 415 N CA -0.110 52.977 53.050 0.061 0.000 0.945 415 N CB 0.244 38.746 38.487 0.025 0.000 1.165 415 N HN 0.340 nan 8.380 nan 0.000 0.485 416 N N 2.275 121.032 118.700 0.095 0.000 2.188 416 N HA -0.177 4.560 4.740 -0.004 0.000 0.184 416 N C 1.305 176.849 175.510 0.058 0.000 1.018 416 N CA 0.825 53.966 53.050 0.152 0.000 0.858 416 N CB -0.134 38.541 38.487 0.313 0.000 0.989 416 N HN 0.532 nan 8.380 nan 0.000 0.426 417 F N 2.435 122.380 119.950 -0.008 0.000 2.075 417 F HA -0.042 4.484 4.527 -0.002 0.000 0.297 417 F C 2.263 178.040 175.800 -0.040 0.000 1.113 417 F CA 0.852 58.848 58.000 -0.007 0.000 1.218 417 F CB -0.644 38.344 39.000 -0.018 0.000 0.984 417 F HN -0.100 nan 8.300 nan 0.000 0.472 418 L N -0.255 120.760 121.223 -0.346 0.000 1.989 418 L HA -0.274 4.064 4.340 -0.004 0.000 0.211 418 L C 2.426 178.988 176.870 -0.513 0.000 1.071 418 L CA 1.516 56.106 54.840 -0.417 0.000 0.749 418 L CB -0.394 41.510 42.059 -0.259 0.000 0.890 418 L HN 0.200 nan 8.230 nan 0.000 0.431 419 M N -0.862 118.366 119.600 -0.620 0.000 2.149 419 M HA -0.257 4.221 4.480 -0.004 0.000 0.261 419 M C 2.142 177.973 176.300 -0.783 0.000 1.064 419 M CA 1.687 56.427 55.300 -0.933 0.000 1.102 419 M CB -1.267 30.369 32.600 -1.606 0.000 1.369 419 M HN 0.325 nan 8.290 nan 0.000 0.408 420 Q N -0.182 119.310 119.800 -0.512 0.000 2.096 420 Q HA -0.096 4.242 4.340 -0.004 0.000 0.197 420 Q C 1.881 177.783 176.000 -0.163 0.000 0.964 420 Q CA 1.297 57.023 55.803 -0.127 0.000 0.838 420 Q CB -0.509 28.262 28.738 0.056 0.000 0.906 420 Q HN 0.371 nan 8.270 nan 0.000 0.444 421 F N 1.011 120.664 119.950 -0.496 0.000 2.102 421 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 421 F C 2.204 177.794 175.800 -0.349 0.000 1.105 421 F CA 2.035 59.744 58.000 -0.485 0.000 1.239 421 F CB -0.772 37.757 39.000 -0.784 0.000 0.991 421 F HN 0.212 nan 8.300 nan 0.000 0.474 422 Q N 0.257 119.712 119.800 -0.575 0.000 2.045 422 Q HA -0.219 4.119 4.340 -0.004 0.000 0.206 422 Q C 2.527 178.295 176.000 -0.386 0.000 0.991 422 Q CA 2.518 58.011 55.803 -0.515 0.000 0.851 422 Q CB -0.960 27.569 28.738 -0.348 0.000 0.911 422 Q HN 0.426 nan 8.270 nan 0.000 0.418 423 S N -0.199 115.340 115.700 -0.269 0.000 2.377 423 S HA -0.228 4.240 4.470 -0.004 0.000 0.224 423 S C 1.346 175.852 174.600 -0.157 0.000 1.042 423 S CA 1.755 59.870 58.200 -0.142 0.000 1.086 423 S CB -0.625 62.559 63.200 -0.028 0.000 0.995 423 S HN 0.566 nan 8.310 nan 0.000 0.428 424 D N 0.709 121.012 120.400 -0.163 0.000 2.092 424 D HA -0.079 4.558 4.640 -0.004 0.000 0.193 424 D C 1.811 177.974 176.300 -0.228 0.000 0.994 424 D CA 0.846 54.768 54.000 -0.129 0.000 0.828 424 D CB -0.562 40.220 40.800 -0.030 0.000 0.963 424 D HN 0.290 nan 8.370 nan 0.000 0.450 425 I N 0.240 120.519 120.570 -0.484 0.000 2.335 425 I HA -0.195 3.973 4.170 -0.004 0.000 0.251 425 I C 1.815 177.726 176.117 -0.343 0.000 1.129 425 I CA 0.918 61.916 61.300 -0.502 0.000 1.402 425 I CB -0.105 37.370 38.000 -0.874 0.000 1.069 425 I HN -0.011 nan 8.210 nan 0.000 0.424 426 L N 0.002 121.044 121.223 -0.301 0.000 2.298 426 L HA 0.306 4.644 4.340 -0.004 0.000 0.209 426 L C 1.705 178.481 176.870 -0.158 0.000 1.084 426 L CA 1.233 55.938 54.840 -0.224 0.000 0.816 426 L CB -1.502 40.446 42.059 -0.186 0.000 0.967 426 L HN 0.405 nan 8.230 nan 0.000 0.460 427 G N 0.343 109.062 108.800 -0.135 0.000 2.246 427 G HA2 -0.256 3.702 3.960 -0.004 0.000 0.273 427 G HA3 -0.256 3.702 3.960 -0.004 0.000 0.273 427 G C 0.379 175.232 174.900 -0.078 0.000 1.055 427 G CA 0.646 45.694 45.100 -0.086 0.000 0.851 427 G HN 0.357 nan 8.290 nan 0.000 0.500 428 T N -0.875 113.633 114.554 -0.076 0.000 2.906 428 T HA 0.628 4.976 4.350 -0.004 0.000 0.295 428 T C 0.808 175.495 174.700 -0.021 0.000 1.075 428 T CA -0.761 61.305 62.100 -0.055 0.000 1.005 428 T CB 1.284 70.114 68.868 -0.065 0.000 1.136 428 T HN 0.491 nan 8.240 nan 0.000 0.498 429 R N 0.362 120.867 120.500 0.008 0.000 2.747 429 R HA 0.669 5.007 4.340 -0.004 0.000 0.278 429 R C -0.778 175.557 176.300 0.058 0.000 1.153 429 R CA -0.684 55.441 56.100 0.042 0.000 1.206 429 R CB 0.281 30.610 30.300 0.049 0.000 1.161 429 R HN 0.351 nan 8.270 nan 0.000 0.589 430 V N -0.525 119.458 119.914 0.115 0.000 2.711 430 V HA 0.273 4.391 4.120 -0.004 0.000 0.304 430 V C -1.062 175.146 176.094 0.190 0.000 1.097 430 V CA -1.057 61.321 62.300 0.130 0.000 0.906 430 V CB 1.759 33.619 31.823 0.062 0.000 1.015 430 V HN 0.707 nan 8.190 nan 0.000 0.427 431 E N 3.074 123.351 120.200 0.130 0.000 2.081 431 E HA 0.521 4.869 4.350 -0.004 0.000 0.276 431 E C -0.513 176.166 176.600 0.131 0.000 0.950 431 E CA -0.603 55.873 56.400 0.127 0.000 0.776 431 E CB 2.066 31.815 29.700 0.081 0.000 1.094 431 E HN 0.566 nan 8.360 nan 0.000 0.402 432 R N 4.444 125.050 120.500 0.176 0.000 2.202 432 R HA 0.236 4.573 4.340 -0.004 0.000 0.334 432 R C -2.226 174.135 176.300 0.101 0.000 1.036 432 R CA -1.936 54.256 56.100 0.153 0.000 0.878 432 R CB 0.611 31.064 30.300 0.255 0.000 1.067 432 R HN 0.308 nan 8.270 nan 0.000 0.457 433 P HA -0.041 nan 4.420 nan 0.000 0.274 433 P C -0.213 177.117 177.300 0.050 0.000 1.260 433 P CA -0.077 63.056 63.100 0.055 0.000 0.793 433 P CB 0.705 32.434 31.700 0.048 0.000 1.048 434 E N -0.424 119.798 120.200 0.037 0.000 2.072 434 E HA -0.038 4.310 4.350 -0.004 0.000 0.190 434 E C 0.384 177.003 176.600 0.032 0.000 0.982 434 E CA 0.574 56.994 56.400 0.033 0.000 0.803 434 E CB 0.165 29.881 29.700 0.025 0.000 0.755 434 E HN 0.159 nan 8.360 nan 0.000 0.453 435 V N 1.203 121.134 119.914 0.029 0.000 2.612 435 V HA 0.254 4.372 4.120 -0.004 0.000 0.301 435 V C 0.508 176.618 176.094 0.028 0.000 1.046 435 V CA -0.550 61.764 62.300 0.024 0.000 0.946 435 V CB 1.594 33.428 31.823 0.017 0.000 1.003 435 V HN 0.221 nan 8.190 nan 0.000 0.459 436 R N 2.875 123.392 120.500 0.028 0.000 2.335 436 R HA 0.245 4.583 4.340 -0.004 0.000 0.210 436 R C 0.600 176.921 176.300 0.034 0.000 0.892 436 R CA 0.179 56.303 56.100 0.040 0.000 1.048 436 R CB 0.215 30.545 30.300 0.049 0.000 1.067 436 R HN 0.790 nan 8.270 nan 0.000 0.524 437 E N 2.450 122.661 120.200 0.018 0.000 2.322 437 E HA -0.023 4.325 4.350 -0.004 0.000 0.195 437 E C 1.552 178.141 176.600 -0.019 0.000 1.198 437 E CA 0.059 56.465 56.400 0.009 0.000 1.132 437 E CB -0.063 29.642 29.700 0.008 0.000 1.213 437 E HN 0.137 nan 8.360 nan 0.000 0.450 438 V N -2.011 117.893 119.914 -0.017 0.000 2.357 438 V HA -0.394 3.724 4.120 -0.004 0.000 0.257 438 V C 1.968 178.028 176.094 -0.056 0.000 1.082 438 V CA 2.307 64.579 62.300 -0.046 0.000 1.078 438 V CB -1.487 30.337 31.823 0.001 0.000 0.663 438 V HN 0.311 nan 8.190 nan 0.000 0.455 439 T N 1.274 115.822 114.554 -0.010 0.000 2.595 439 T HA -0.183 4.165 4.350 -0.004 0.000 0.264 439 T C 2.194 176.881 174.700 -0.022 0.000 1.058 439 T CA 2.468 64.569 62.100 0.002 0.000 1.166 439 T CB -0.817 68.069 68.868 0.029 0.000 0.863 439 T HN 0.790 nan 8.240 nan 0.000 0.415 440 A N 1.070 123.875 122.820 -0.025 0.000 1.978 440 A HA -0.033 4.285 4.320 -0.004 0.000 0.220 440 A C 2.373 179.903 177.584 -0.091 0.000 1.170 440 A CA 1.212 53.230 52.037 -0.031 0.000 0.636 440 A CB -0.971 18.020 19.000 -0.015 0.000 0.810 440 A HN 0.468 nan 8.150 nan 0.000 0.448 441 L N -0.884 120.224 121.223 -0.190 0.000 1.970 441 L HA -0.201 4.137 4.340 -0.004 0.000 0.212 441 L C 2.875 179.335 176.870 -0.684 0.000 1.071 441 L CA 1.618 56.166 54.840 -0.487 0.000 0.751 441 L CB -1.152 40.606 42.059 -0.502 0.000 0.889 441 L HN 0.514 nan 8.230 nan 0.000 0.432 442 G N -0.518 108.079 108.800 -0.338 0.000 2.599 442 G HA2 -0.392 3.566 3.960 -0.004 0.000 0.219 442 G HA3 -0.392 3.566 3.960 -0.004 0.000 0.219 442 G C 1.657 176.649 174.900 0.154 0.000 1.193 442 G CA 1.217 46.321 45.100 0.007 0.000 0.778 442 G HN 0.554 nan 8.290 nan 0.000 0.589 443 A N 0.843 123.697 122.820 0.058 0.000 1.940 443 A HA 0.236 4.554 4.320 -0.004 0.000 0.219 443 A C 2.809 180.480 177.584 0.144 0.000 1.176 443 A CA 2.452 54.542 52.037 0.089 0.000 0.631 443 A CB -0.699 18.331 19.000 0.049 0.000 0.814 443 A HN 0.951 nan 8.150 nan 0.000 0.446 444 A N -1.168 121.725 122.820 0.121 0.000 1.897 444 A HA 0.035 4.353 4.320 -0.004 0.000 0.215 444 A C 2.055 179.973 177.584 0.557 0.000 1.181 444 A CA 1.332 53.525 52.037 0.260 0.000 0.620 444 A CB -0.741 18.406 19.000 0.245 0.000 0.821 444 A HN 0.491 nan 8.150 nan 0.000 0.443 445 Y N -0.488 120.002 120.300 0.317 0.000 1.993 445 Y HA -0.244 4.304 4.550 -0.003 0.000 0.267 445 Y C 2.311 178.484 175.900 0.456 0.000 1.155 445 Y CA 1.160 59.473 58.100 0.355 0.000 1.105 445 Y CB -1.579 37.019 38.460 0.231 0.000 0.960 445 Y HN 0.219 nan 8.280 nan 0.000 0.486 446 L N -0.037 121.522 121.223 0.559 0.000 1.957 446 L HA -0.308 4.030 4.340 -0.004 0.000 0.228 446 L C 2.574 179.591 176.870 0.245 0.000 1.086 446 L CA 2.580 57.589 54.840 0.281 0.000 0.796 446 L CB -1.431 40.669 42.059 0.068 0.000 0.900 446 L HN 0.261 nan 8.230 nan 0.000 0.439 447 A N -1.267 121.682 122.820 0.215 0.000 2.139 447 A HA -0.137 4.181 4.320 -0.004 0.000 0.221 447 A C 2.210 179.886 177.584 0.153 0.000 1.159 447 A CA 1.792 53.924 52.037 0.158 0.000 0.662 447 A CB -1.254 17.828 19.000 0.137 0.000 0.796 447 A HN 0.604 nan 8.150 nan 0.000 0.463 448 G N -1.035 107.926 108.800 0.269 0.000 2.459 448 G HA2 0.113 4.071 3.960 -0.004 0.000 0.213 448 G HA3 0.113 4.071 3.960 -0.004 0.000 0.213 448 G C 1.285 176.374 174.900 0.315 0.000 1.155 448 G CA 0.598 45.832 45.100 0.224 0.000 0.811 448 G HN 0.302 nan 8.290 nan 0.000 0.534 449 L N 1.854 123.324 121.223 0.411 0.000 2.013 449 L HA -0.069 4.269 4.340 -0.004 0.000 0.212 449 L C 3.249 180.228 176.870 0.183 0.000 1.073 449 L CA 1.858 56.889 54.840 0.319 0.000 0.753 449 L CB -1.134 41.107 42.059 0.302 0.000 0.890 449 L HN 0.291 nan 8.230 nan 0.000 0.432 450 A N -1.201 121.699 122.820 0.134 0.000 1.869 450 A HA -0.226 4.092 4.320 -0.004 0.000 0.218 450 A C 2.076 179.681 177.584 0.033 0.000 1.203 450 A CA 2.419 54.486 52.037 0.050 0.000 0.638 450 A CB -1.043 17.957 19.000 0.000 0.000 0.831 450 A HN 0.260 nan 8.150 nan 0.000 0.450 451 V N -0.513 119.431 119.914 0.050 0.000 3.620 451 V HA 0.329 4.447 4.120 -0.004 0.000 0.286 451 V C 1.645 177.774 176.094 0.058 0.000 1.288 451 V CA 0.750 63.075 62.300 0.041 0.000 1.178 451 V CB -0.995 30.853 31.823 0.040 0.000 0.986 451 V HN 1.213 nan 8.190 nan 0.000 0.431 452 G N 0.174 109.019 108.800 0.075 0.000 2.168 452 G HA2 -0.389 3.568 3.960 -0.004 0.000 0.257 452 G HA3 -0.389 3.568 3.960 -0.004 0.000 0.257 452 G C 0.664 175.586 174.900 0.037 0.000 0.997 452 G CA 0.678 45.815 45.100 0.062 0.000 0.708 452 G HN 0.486 nan 8.290 nan 0.000 0.520 453 F N -0.104 119.764 119.950 -0.136 0.000 2.134 453 F HA 0.227 4.752 4.527 -0.003 0.000 0.299 453 F C 1.251 176.795 175.800 -0.426 0.000 1.097 453 F CA 1.542 59.308 58.000 -0.390 0.000 1.264 453 F CB 0.130 38.662 39.000 -0.781 0.000 1.001 453 F HN 0.289 nan 8.300 nan 0.000 0.479 454 W N 0.031 121.452 121.300 0.201 0.000 2.844 454 W HA 0.266 4.924 4.660 -0.003 0.000 0.340 454 W C 0.804 177.360 176.519 0.061 0.000 1.093 454 W CA -0.469 56.923 57.345 0.079 0.000 1.212 454 W CB 1.001 30.474 29.460 0.021 0.000 1.422 454 W HN -0.076 nan 8.180 nan 0.000 0.515 455 Q N 0.657 120.603 119.800 0.242 0.000 2.402 455 Q HA 0.024 4.362 4.340 -0.004 0.000 0.206 455 Q C 0.081 176.152 176.000 0.118 0.000 0.919 455 Q CA 1.165 57.052 55.803 0.141 0.000 0.923 455 Q CB 0.360 29.147 28.738 0.082 0.000 1.048 455 Q HN 0.475 nan 8.270 nan 0.000 0.515 456 N N -1.748 117.021 118.700 0.115 0.000 3.127 456 N HA 0.095 4.833 4.740 -0.004 0.000 0.239 456 N C -0.354 175.135 175.510 -0.035 0.000 1.407 456 N CA -0.503 52.577 53.050 0.050 0.000 0.891 456 N CB 0.295 38.798 38.487 0.027 0.000 1.447 456 N HN 0.056 nan 8.380 nan 0.000 0.507 457 L N 0.757 121.933 121.223 -0.080 0.000 1.937 457 L HA -0.216 4.122 4.340 -0.004 0.000 0.213 457 L C 1.464 178.195 176.870 -0.231 0.000 1.077 457 L CA 2.586 57.292 54.840 -0.223 0.000 0.758 457 L CB -0.953 40.968 42.059 -0.230 0.000 0.888 457 L HN 0.707 nan 8.230 nan 0.000 0.433 458 D N -0.451 119.861 120.400 -0.145 0.000 2.432 458 D HA -0.279 4.359 4.640 -0.004 0.000 0.200 458 D C 1.704 177.936 176.300 -0.114 0.000 1.021 458 D CA 1.357 55.289 54.000 -0.113 0.000 0.936 458 D CB -0.310 40.452 40.800 -0.064 0.000 0.881 458 D HN 0.464 nan 8.370 nan 0.000 0.459 459 E N -0.325 119.800 120.200 -0.125 0.000 2.058 459 E HA -0.143 4.205 4.350 -0.004 0.000 0.194 459 E C 1.533 178.024 176.600 -0.181 0.000 0.997 459 E CA 0.718 57.056 56.400 -0.103 0.000 0.801 459 E CB 0.002 29.667 29.700 -0.058 0.000 0.746 459 E HN 0.286 nan 8.360 nan 0.000 0.450 460 L N 1.137 122.161 121.223 -0.333 0.000 2.554 460 L HA -0.023 4.315 4.340 -0.004 0.000 0.226 460 L C 2.044 178.752 176.870 -0.271 0.000 1.137 460 L CA 1.048 55.627 54.840 -0.436 0.000 0.863 460 L CB -0.782 40.788 42.059 -0.815 0.000 0.985 460 L HN 0.110 nan 8.230 nan 0.000 0.451 461 Q N 0.218 119.901 119.800 -0.196 0.000 2.030 461 Q HA -0.192 4.146 4.340 -0.004 0.000 0.204 461 Q C 1.479 177.428 176.000 -0.086 0.000 0.986 461 Q CA 1.602 57.327 55.803 -0.131 0.000 0.843 461 Q CB -0.047 28.629 28.738 -0.104 0.000 0.904 461 Q HN 0.539 nan 8.270 nan 0.000 0.420 462 E N 0.975 121.133 120.200 -0.070 0.000 2.510 462 E HA -0.154 4.193 4.350 -0.004 0.000 0.202 462 E C 1.159 177.739 176.600 -0.034 0.000 1.072 462 E CA 0.537 56.912 56.400 -0.042 0.000 0.883 462 E CB -0.028 29.654 29.700 -0.030 0.000 0.818 462 E HN 0.134 nan 8.360 nan 0.000 0.548 463 K N 2.156 122.526 120.400 -0.050 0.000 1.968 463 K HA -0.056 4.262 4.320 -0.004 0.000 0.222 463 K C 0.673 177.270 176.600 -0.005 0.000 1.043 463 K CA 1.223 57.494 56.287 -0.027 0.000 0.991 463 K CB -0.842 31.638 32.500 -0.034 0.000 0.744 463 K HN 0.143 nan 8.250 nan 0.000 0.445 464 A N 0.984 123.802 122.820 -0.004 0.000 2.520 464 A HA 0.005 4.323 4.320 -0.004 0.000 0.279 464 A C -0.513 177.074 177.584 0.006 0.000 1.031 464 A CA 0.366 52.406 52.037 0.005 0.000 0.943 464 A CB -0.767 18.232 19.000 -0.001 0.000 0.899 464 A HN 0.141 nan 8.150 nan 0.000 0.508 465 V N 5.974 125.896 119.914 0.013 0.000 2.311 465 V HA 0.193 4.311 4.120 -0.004 0.000 0.275 465 V C 0.412 176.518 176.094 0.019 0.000 1.022 465 V CA -0.408 61.900 62.300 0.013 0.000 0.830 465 V CB 0.945 32.776 31.823 0.014 0.000 1.012 465 V HN 0.693 nan 8.190 nan 0.000 0.452 466 I N 2.434 123.015 120.570 0.018 0.000 2.705 466 I HA 0.103 4.271 4.170 -0.004 0.000 0.291 466 I C 1.607 177.736 176.117 0.021 0.000 1.146 466 I CA 0.266 61.582 61.300 0.026 0.000 1.383 466 I CB 0.120 38.136 38.000 0.027 0.000 1.454 466 I HN 0.658 nan 8.210 nan 0.000 0.581 467 E N 6.376 126.595 120.200 0.031 0.000 2.153 467 E HA -0.121 4.227 4.350 -0.004 0.000 0.194 467 E C 0.451 177.053 176.600 0.003 0.000 0.988 467 E CA 1.151 57.566 56.400 0.024 0.000 0.811 467 E CB 0.424 30.146 29.700 0.037 0.000 0.746 467 E HN 0.648 nan 8.360 nan 0.000 0.466 468 R N 0.046 120.553 120.500 0.011 0.000 2.634 468 R HA 0.126 4.464 4.340 -0.004 0.000 0.263 468 R C -1.616 174.661 176.300 -0.038 0.000 1.060 468 R CA -0.388 55.668 56.100 -0.074 0.000 0.898 468 R CB 1.371 31.598 30.300 -0.122 0.000 1.253 468 R HN 0.169 nan 8.270 nan 0.000 0.461 469 E N 4.283 124.390 120.200 -0.154 0.000 2.216 469 E HA 0.264 4.612 4.350 -0.004 0.000 0.260 469 E C -1.330 175.195 176.600 -0.126 0.000 0.880 469 E CA -0.452 55.922 56.400 -0.043 0.000 0.765 469 E CB 0.739 30.452 29.700 0.021 0.000 1.174 469 E HN 0.256 nan 8.360 nan 0.000 0.417 470 F N 4.051 123.990 119.950 -0.018 0.000 2.413 470 F HA 0.332 4.857 4.527 -0.004 0.000 0.359 470 F C 0.649 176.431 175.800 -0.029 0.000 1.122 470 F CA -0.639 57.345 58.000 -0.026 0.000 1.160 470 F CB 0.715 39.688 39.000 -0.045 0.000 1.146 470 F HN 0.323 nan 8.300 nan 0.000 0.514 471 R N 3.627 124.187 120.500 0.099 0.000 2.404 471 R HA 0.482 4.819 4.340 -0.004 0.000 0.291 471 R C -2.793 173.539 176.300 0.054 0.000 1.025 471 R CA -2.248 53.887 56.100 0.059 0.000 0.991 471 R CB -0.186 30.127 30.300 0.022 0.000 1.053 471 R HN 0.236 nan 8.270 nan 0.000 0.479 472 P HA -0.137 nan 4.420 nan 0.000 0.257 472 P C 0.125 177.436 177.300 0.017 0.000 1.162 472 P CA 0.572 63.673 63.100 0.002 0.000 0.762 472 P CB 0.733 32.423 31.700 -0.017 0.000 0.753 473 G N 3.801 112.617 108.800 0.026 0.000 2.654 473 G HA2 0.064 4.022 3.960 -0.004 0.000 0.215 473 G HA3 0.064 4.022 3.960 -0.004 0.000 0.215 473 G C 0.493 175.416 174.900 0.038 0.000 1.310 473 G CA 0.123 45.248 45.100 0.041 0.000 0.866 473 G HN 0.444 nan 8.290 nan 0.000 0.558 474 I N 0.100 120.699 120.570 0.048 0.000 3.502 474 I HA 0.312 4.480 4.170 -0.004 0.000 0.302 474 I C -0.073 176.069 176.117 0.042 0.000 1.170 474 I CA -0.673 60.656 61.300 0.049 0.000 0.953 474 I CB 1.049 39.085 38.000 0.060 0.000 1.475 474 I HN 0.175 nan 8.210 nan 0.000 0.657 475 E N 0.855 121.081 120.200 0.042 0.000 2.283 475 E HA 0.171 4.518 4.350 -0.004 0.000 0.278 475 E C 0.446 177.078 176.600 0.053 0.000 1.027 475 E CA -0.187 56.236 56.400 0.039 0.000 0.843 475 E CB 0.813 30.532 29.700 0.031 0.000 1.062 475 E HN 0.595 nan 8.360 nan 0.000 0.401 476 T N 1.869 116.451 114.554 0.045 0.000 1.944 476 T HA -0.427 3.921 4.350 -0.004 0.000 0.155 476 T C 1.717 176.470 174.700 0.089 0.000 1.860 476 T CA 2.053 64.186 62.100 0.055 0.000 0.978 476 T CB -1.140 67.754 68.868 0.043 0.000 0.826 476 T HN 0.767 nan 8.240 nan 0.000 0.400 477 T N 1.254 115.860 114.554 0.086 0.000 2.590 477 T HA -0.363 3.985 4.350 -0.004 0.000 0.209 477 T C 1.716 176.520 174.700 0.174 0.000 1.419 477 T CA 2.509 64.671 62.100 0.104 0.000 1.020 477 T CB -0.848 68.054 68.868 0.056 0.000 0.781 477 T HN 0.574 nan 8.240 nan 0.000 0.493 478 E N 0.210 120.505 120.200 0.158 0.000 2.012 478 E HA -0.156 4.192 4.350 -0.004 0.000 0.197 478 E C 2.305 179.098 176.600 0.322 0.000 1.007 478 E CA 1.446 57.991 56.400 0.242 0.000 0.816 478 E CB -0.378 29.435 29.700 0.189 0.000 0.762 478 E HN 0.468 nan 8.360 nan 0.000 0.451 479 R N 0.593 121.224 120.500 0.218 0.000 2.293 479 R HA -0.261 4.077 4.340 -0.004 0.000 0.228 479 R C 2.048 178.492 176.300 0.240 0.000 1.105 479 R CA 2.590 58.794 56.100 0.174 0.000 0.860 479 R CB -0.400 29.952 30.300 0.086 0.000 0.923 479 R HN 0.156 nan 8.270 nan 0.000 0.414 480 N N -1.012 117.819 118.700 0.219 0.000 2.166 480 N HA -0.198 4.540 4.740 -0.004 0.000 0.186 480 N C 1.461 177.131 175.510 0.267 0.000 1.019 480 N CA 1.476 54.675 53.050 0.249 0.000 0.856 480 N CB -0.579 38.018 38.487 0.184 0.000 0.993 480 N HN 0.389 nan 8.380 nan 0.000 0.426 481 Y N 2.254 122.660 120.300 0.177 0.000 2.070 481 Y HA -0.166 4.381 4.550 -0.005 0.000 0.280 481 Y C 2.220 178.259 175.900 0.232 0.000 1.148 481 Y CA 1.743 59.944 58.100 0.168 0.000 1.125 481 Y CB -0.102 38.440 38.460 0.136 0.000 0.975 481 Y HN -0.052 nan 8.280 nan 0.000 0.492 482 R N -1.280 119.404 120.500 0.305 0.000 2.120 482 R HA -0.212 4.126 4.340 -0.004 0.000 0.234 482 R C 2.073 178.616 176.300 0.404 0.000 1.123 482 R CA 1.461 57.804 56.100 0.406 0.000 0.975 482 R CB -0.904 29.756 30.300 0.600 0.000 0.866 482 R HN 0.418 nan 8.270 nan 0.000 0.446 483 Y N 1.702 122.104 120.300 0.170 0.000 2.114 483 Y HA -0.169 4.379 4.550 -0.004 0.000 0.284 483 Y C 2.462 178.346 175.900 -0.025 0.000 1.143 483 Y CA 0.937 59.079 58.100 0.070 0.000 1.135 483 Y CB -0.760 37.757 38.460 0.096 0.000 0.980 483 Y HN 0.040 nan 8.280 nan 0.000 0.499 484 A N -0.117 122.653 122.820 -0.083 0.000 1.908 484 A HA -0.169 4.149 4.320 -0.004 0.000 0.218 484 A C 2.595 179.976 177.584 -0.337 0.000 1.181 484 A CA 1.940 53.837 52.037 -0.233 0.000 0.627 484 A CB -1.658 17.239 19.000 -0.171 0.000 0.818 484 A HN 0.564 nan 8.150 nan 0.000 0.445 485 G N -1.065 107.563 108.800 -0.288 0.000 2.491 485 G HA2 -0.341 3.617 3.960 -0.004 0.000 0.218 485 G HA3 -0.341 3.617 3.960 -0.004 0.000 0.218 485 G C 1.535 175.809 174.900 -1.044 0.000 1.180 485 G CA 1.081 45.953 45.100 -0.381 0.000 0.774 485 G HN 0.727 nan 8.290 nan 0.000 0.562 486 W N 1.805 122.393 121.300 -1.187 0.000 2.333 486 W HA -0.115 4.542 4.660 -0.005 0.000 0.316 486 W C 2.284 178.297 176.519 -0.842 0.000 1.215 486 W CA 1.811 58.415 57.345 -1.235 0.000 1.278 486 W CB -0.138 28.676 29.460 -1.076 0.000 1.154 486 W HN 0.136 nan 8.180 nan 0.000 0.486 487 K N 0.726 120.702 120.400 -0.706 0.000 2.044 487 K HA -0.264 4.054 4.320 -0.004 0.000 0.210 487 K C 1.998 178.180 176.600 -0.697 0.000 1.049 487 K CA 1.754 57.631 56.287 -0.682 0.000 0.927 487 K CB -0.906 31.301 32.500 -0.488 0.000 0.713 487 K HN 0.219 nan 8.250 nan 0.000 0.443 488 K N 0.765 120.787 120.400 -0.631 0.000 2.001 488 K HA -0.255 4.063 4.320 -0.004 0.000 0.223 488 K C 2.248 178.390 176.600 -0.765 0.000 1.055 488 K CA 1.888 57.823 56.287 -0.586 0.000 0.965 488 K CB -0.336 31.844 32.500 -0.533 0.000 0.730 488 K HN 0.169 nan 8.250 nan 0.000 0.449 489 A N 0.685 122.904 122.820 -1.001 0.000 1.909 489 A HA -0.255 4.063 4.320 -0.004 0.000 0.221 489 A C 2.317 179.259 177.584 -1.070 0.000 1.223 489 A CA 2.679 53.949 52.037 -1.279 0.000 0.658 489 A CB -1.199 17.089 19.000 -1.186 0.000 0.831 489 A HN 0.256 nan 8.150 nan 0.000 0.462 490 V N 0.708 119.984 119.914 -1.064 0.000 2.231 490 V HA -0.364 3.754 4.120 -0.004 0.000 0.248 490 V C 2.397 178.114 176.094 -0.628 0.000 1.054 490 V CA 2.522 64.278 62.300 -0.908 0.000 1.015 490 V CB -0.955 30.235 31.823 -1.055 0.000 0.638 490 V HN 0.621 nan 8.190 nan 0.000 0.444 491 K N 0.196 120.262 120.400 -0.557 0.000 2.286 491 K HA -0.192 4.126 4.320 -0.004 0.000 0.203 491 K C 2.098 178.528 176.600 -0.283 0.000 1.045 491 K CA 1.454 57.519 56.287 -0.370 0.000 0.935 491 K CB -0.309 32.002 32.500 -0.316 0.000 0.737 491 K HN 0.436 nan 8.250 nan 0.000 0.460 492 R N 0.025 120.307 120.500 -0.363 0.000 2.300 492 R HA 0.124 4.462 4.340 -0.004 0.000 0.199 492 R C 1.952 178.254 176.300 0.004 0.000 0.920 492 R CA 0.477 56.476 56.100 -0.168 0.000 1.046 492 R CB 0.180 30.387 30.300 -0.154 0.000 0.984 492 R HN 0.164 nan 8.270 nan 0.000 0.493 493 A N 0.719 123.472 122.820 -0.111 0.000 1.911 493 A HA 0.128 4.446 4.320 -0.004 0.000 0.212 493 A C 0.965 178.536 177.584 -0.021 0.000 1.189 493 A CA 0.190 52.192 52.037 -0.058 0.000 0.639 493 A CB -0.031 18.862 19.000 -0.178 0.000 0.839 493 A HN 0.127 nan 8.150 nan 0.000 0.449 494 M N -0.828 118.716 119.600 -0.093 0.000 2.235 494 M HA 0.171 4.649 4.480 -0.004 0.000 0.336 494 M C 1.099 177.447 176.300 0.080 0.000 1.146 494 M CA 0.960 56.237 55.300 -0.039 0.000 1.018 494 M CB -0.059 32.477 32.600 -0.106 0.000 1.694 494 M HN 0.934 nan 8.290 nan 0.000 0.451 495 A N 2.226 125.137 122.820 0.151 0.000 2.905 495 A HA -0.172 4.146 4.320 -0.004 0.000 0.260 495 A C 0.946 178.649 177.584 0.197 0.000 1.398 495 A CA 1.187 53.331 52.037 0.178 0.000 0.840 495 A CB -2.428 16.624 19.000 0.086 0.000 1.059 495 A HN 1.120 nan 8.150 nan 0.000 0.647 496 W N 0.196 121.530 121.300 0.056 0.000 2.380 496 W HA 0.022 4.681 4.660 -0.002 0.000 0.317 496 W C 0.805 177.354 176.519 0.050 0.000 1.196 496 W CA 1.760 59.121 57.345 0.028 0.000 1.307 496 W CB -0.243 29.213 29.460 -0.006 0.000 1.157 496 W HN 0.575 nan 8.180 nan 0.000 0.483 497 E N 1.995 122.323 120.200 0.213 0.000 2.452 497 E HA -0.120 4.228 4.350 -0.004 0.000 0.261 497 E C -1.139 175.464 176.600 0.005 0.000 0.987 497 E CA 0.562 57.051 56.400 0.149 0.000 0.926 497 E CB 0.603 30.532 29.700 0.381 0.000 0.934 497 E HN -0.075 nan 8.360 nan 0.000 0.452 498 E N 2.451 122.615 120.200 -0.061 0.000 2.152 498 E HA 0.244 4.592 4.350 -0.004 0.000 0.285 498 E C -0.934 175.646 176.600 -0.033 0.000 1.043 498 E CA -0.096 56.224 56.400 -0.134 0.000 0.839 498 E CB 0.266 29.868 29.700 -0.163 0.000 1.069 498 E HN 0.560 nan 8.360 nan 0.000 0.399 499 H N 0.000 118.927 119.070 -0.238 0.000 2.539 499 H HA 0.000 4.554 4.556 -0.004 0.000 0.296 499 H CA 0.000 55.935 56.048 -0.188 0.000 1.023 499 H CB 0.000 29.520 29.762 -0.404 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496