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 1jpd_1_X DATA FIRST_RESID -2 DATA SEQUENCE GSHMRTVKVF EEAWPLHTPX XXXXXSRSEA RVVVVELEEE GIKGTGECTP DATA SEQUENCE YPRYGESDAS VMAQIMSVVP QLEKGLTREE LQKILPAGAA RNALDCALWD DATA SEQUENCE LAARRQQQSL ADLIGITLPE TVITAQTVVI GTPDQMANSA STLWQAGAKL DATA SEQUENCE LKVKLDNHLI SERMVAIRTA VPDATLIVDA NESWRAEGLA ARCQLLADLG DATA SEQUENCE VAMLEQPLPA QDDAALENFI HPLPICADES CHTRSNLKAL KGRYEMVNIK DATA SEQUENCE LDKTGGLTEA LALATEARAQ GFSLMLGCML CTSRAISAAL PLVPQVSFAD DATA SEQUENCE LDGPTWLAVD VEPALQFTTG ELHL 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -2 G C 0.000 174.854 174.900 -0.076 0.000 0.946 -2 G CA 0.000 45.081 45.100 -0.031 0.000 0.502 -1 S N 0.413 116.027 115.700 -0.143 0.000 2.474 -1 S HA 0.090 4.560 4.470 -0.000 0.000 0.235 -1 S C 0.249 174.524 174.600 -0.542 0.000 0.997 -1 S CA 0.806 58.806 58.200 -0.334 0.000 0.949 -1 S CB -0.262 62.688 63.200 -0.418 0.000 0.766 -1 S HN 0.445 nan 8.310 nan 0.000 0.517 0 H N 0.934 119.997 119.070 -0.011 0.000 2.917 0 H HA 0.311 4.867 4.556 -0.000 0.000 0.279 0 H C -0.866 174.457 175.328 -0.009 0.000 1.211 0 H CA -0.464 55.576 56.048 -0.012 0.000 1.534 0 H CB 0.374 30.125 29.762 -0.019 0.000 1.581 0 H HN 0.287 nan 8.280 nan 0.000 0.510 1 M N 2.458 122.104 119.600 0.077 0.000 2.233 1 M HA 0.423 4.902 4.480 -0.000 0.000 0.355 1 M C 0.350 176.680 176.300 0.050 0.000 1.191 1 M CA -0.173 55.156 55.300 0.049 0.000 1.101 1 M CB 1.384 33.999 32.600 0.024 0.000 1.592 1 M HN 0.471 nan 8.290 nan 0.000 0.461 2 R N 0.202 120.726 120.500 0.039 0.000 2.836 2 R HA 0.717 5.057 4.340 -0.000 0.000 0.269 2 R C -0.490 175.828 176.300 0.029 0.000 1.010 2 R CA -0.877 55.243 56.100 0.034 0.000 0.930 2 R CB 1.894 32.211 30.300 0.028 0.000 1.218 2 R HN 0.741 nan 8.270 nan 0.000 0.473 3 T N -1.772 112.801 114.554 0.031 0.000 2.823 3 T HA 0.632 4.982 4.350 -0.000 0.000 0.279 3 T C -0.390 174.334 174.700 0.040 0.000 0.998 3 T CA -0.734 61.386 62.100 0.033 0.000 0.994 3 T CB 1.511 70.398 68.868 0.033 0.000 0.960 3 T HN 0.166 nan 8.240 nan 0.000 0.448 4 V N 2.949 122.888 119.914 0.042 0.000 2.495 4 V HA 0.577 4.697 4.120 -0.000 0.000 0.298 4 V C -0.242 175.896 176.094 0.072 0.000 1.031 4 V CA -0.890 61.440 62.300 0.051 0.000 0.871 4 V CB 1.786 33.632 31.823 0.038 0.000 0.988 4 V HN 0.904 nan 8.190 nan 0.000 0.432 5 K N 3.302 123.766 120.400 0.106 0.000 2.426 5 K HA 0.760 5.080 4.320 -0.000 0.000 0.254 5 K C -1.551 175.170 176.600 0.202 0.000 0.936 5 K CA -0.605 55.786 56.287 0.173 0.000 0.801 5 K CB 2.513 35.147 32.500 0.225 0.000 1.139 5 K HN 0.433 nan 8.250 nan 0.000 0.424 6 V N 4.878 124.908 119.914 0.194 0.000 2.487 6 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 6 V C -0.971 175.255 176.094 0.221 0.000 1.028 6 V CA -0.806 61.554 62.300 0.099 0.000 0.860 6 V CB 0.602 32.451 31.823 0.043 0.000 0.991 6 V HN 0.695 nan 8.190 nan 0.000 0.427 7 F N 1.184 121.152 119.950 0.030 0.000 2.619 7 F HA 0.745 5.272 4.527 -0.000 0.000 0.308 7 F C -0.554 175.267 175.800 0.036 0.000 1.097 7 F CA -1.048 56.968 58.000 0.026 0.000 0.953 7 F CB 1.640 40.652 39.000 0.020 0.000 1.287 7 F HN 0.502 nan 8.300 nan 0.000 0.446 8 E N 1.546 121.852 120.200 0.177 0.000 2.231 8 E HA 0.433 4.783 4.350 -0.000 0.000 0.277 8 E C -1.408 175.273 176.600 0.135 0.000 0.999 8 E CA -0.487 55.971 56.400 0.097 0.000 0.827 8 E CB 1.380 31.121 29.700 0.069 0.000 1.101 8 E HN 0.831 nan 8.360 nan 0.000 0.393 9 E N 2.098 122.368 120.200 0.117 0.000 2.260 9 E HA 0.443 4.793 4.350 -0.000 0.000 0.266 9 E C -1.524 175.127 176.600 0.086 0.000 0.887 9 E CA -0.890 55.554 56.400 0.074 0.000 0.777 9 E CB 2.024 31.832 29.700 0.180 0.000 1.205 9 E HN 0.502 nan 8.360 nan 0.000 0.414 10 A N 3.674 126.472 122.820 -0.035 0.000 2.412 10 A HA 0.369 4.689 4.320 -0.000 0.000 0.334 10 A C -1.309 176.271 177.584 -0.007 0.000 1.419 10 A CA -0.562 51.497 52.037 0.037 0.000 0.930 10 A CB -0.085 18.922 19.000 0.012 0.000 1.149 10 A HN 0.534 nan 8.150 nan 0.000 0.515 11 W N 3.233 124.537 121.300 0.007 0.000 2.322 11 W HA 0.465 5.125 4.660 0.002 0.000 0.307 11 W C -2.364 174.150 176.519 -0.009 0.000 1.220 11 W CA -2.085 55.261 57.345 0.000 0.000 1.210 11 W CB 0.333 29.792 29.460 -0.000 0.000 1.223 11 W HN 0.437 nan 8.180 nan 0.000 0.511 12 P HA 0.069 nan 4.420 nan 0.000 0.269 12 P C -0.418 176.932 177.300 0.084 0.000 1.215 12 P CA 0.082 63.237 63.100 0.093 0.000 0.780 12 P CB 0.615 32.342 31.700 0.046 0.000 0.898 13 L N 2.226 123.487 121.223 0.064 0.000 2.334 13 L HA 0.322 4.662 4.340 -0.000 0.000 0.270 13 L C 1.958 178.854 176.870 0.043 0.000 1.018 13 L CA -0.891 53.989 54.840 0.066 0.000 0.811 13 L CB 0.786 42.919 42.059 0.124 0.000 1.271 13 L HN 0.528 nan 8.230 nan 0.000 0.443 14 H N 0.564 119.682 119.070 0.079 0.000 2.321 14 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 14 H C 0.486 175.837 175.328 0.039 0.000 1.087 14 H CA 1.690 57.761 56.048 0.038 0.000 1.319 14 H CB 0.233 29.989 29.762 -0.009 0.000 1.379 14 H HN 0.684 nan 8.280 nan 0.000 0.501 15 T N -1.524 113.149 114.554 0.198 0.000 2.903 15 T HA 0.481 4.831 4.350 -0.000 0.000 0.299 15 T C -2.572 172.205 174.700 0.129 0.000 1.093 15 T CA -1.826 60.352 62.100 0.129 0.000 1.002 15 T CB 2.600 71.526 68.868 0.097 0.000 1.127 15 T HN -0.166 nan 8.240 nan 0.000 0.488 24 R N 1.135 121.642 120.500 0.013 0.000 2.171 24 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 24 R C 2.250 178.573 176.300 0.038 0.000 1.113 24 R CA 3.382 59.496 56.100 0.023 0.000 0.887 24 R CB -1.947 28.366 30.300 0.020 0.000 0.830 24 R HN 2.025 nan 8.270 nan 0.000 0.432 25 S N -0.217 115.506 115.700 0.039 0.000 2.603 25 S HA 0.178 4.648 4.470 -0.000 0.000 0.232 25 S C 0.099 174.733 174.600 0.056 0.000 1.016 25 S CA 0.203 58.432 58.200 0.048 0.000 0.976 25 S CB 0.151 63.374 63.200 0.039 0.000 0.921 25 S HN 0.855 nan 8.310 nan 0.000 0.516 26 E N 0.265 120.498 120.200 0.055 0.000 2.372 26 E HA 0.658 5.008 4.350 -0.000 0.000 0.279 26 E C -1.462 175.183 176.600 0.075 0.000 0.946 26 E CA -1.347 55.098 56.400 0.074 0.000 0.769 26 E CB 1.546 31.286 29.700 0.067 0.000 1.230 26 E HN 0.106 nan 8.360 nan 0.000 0.442 27 A N 3.252 126.137 122.820 0.108 0.000 2.279 27 A HA 0.361 4.681 4.320 -0.000 0.000 0.306 27 A C -0.146 177.518 177.584 0.132 0.000 1.300 27 A CA -0.606 51.480 52.037 0.081 0.000 0.925 27 A CB 0.065 19.094 19.000 0.049 0.000 1.152 27 A HN 0.496 nan 8.150 nan 0.000 0.544 28 R N 1.667 122.216 120.500 0.083 0.000 2.216 28 R HA 0.432 4.772 4.340 -0.000 0.000 0.332 28 R C -0.264 176.085 176.300 0.081 0.000 1.056 28 R CA -0.233 55.924 56.100 0.095 0.000 0.901 28 R CB 1.083 31.416 30.300 0.056 0.000 1.039 28 R HN 0.637 nan 8.270 nan 0.000 0.456 29 V N 0.072 120.063 119.914 0.128 0.000 2.914 29 V HA 0.662 4.782 4.120 -0.000 0.000 0.314 29 V C -0.383 175.741 176.094 0.049 0.000 1.084 29 V CA -0.894 61.452 62.300 0.076 0.000 0.963 29 V CB 2.314 34.188 31.823 0.084 0.000 1.025 29 V HN 0.331 nan 8.190 nan 0.000 0.432 30 V N 3.507 123.412 119.914 -0.015 0.000 2.448 30 V HA 0.590 4.710 4.120 -0.000 0.000 0.295 30 V C -0.117 175.878 176.094 -0.164 0.000 1.025 30 V CA -0.413 61.843 62.300 -0.074 0.000 0.859 30 V CB 1.678 33.469 31.823 -0.052 0.000 0.988 30 V HN 0.837 nan 8.190 nan 0.000 0.431 31 V N 5.337 125.027 119.914 -0.373 0.000 2.547 31 V HA 0.594 4.714 4.120 -0.000 0.000 0.299 31 V C -0.306 175.461 176.094 -0.546 0.000 1.040 31 V CA -0.638 61.343 62.300 -0.532 0.000 0.913 31 V CB 2.053 33.326 31.823 -0.918 0.000 0.992 31 V HN 0.569 nan 8.190 nan 0.000 0.449 32 V N 3.465 123.209 119.914 -0.283 0.000 2.443 32 V HA 0.421 4.540 4.120 -0.000 0.000 0.293 32 V C -0.317 175.755 176.094 -0.037 0.000 1.021 32 V CA -0.519 61.699 62.300 -0.136 0.000 0.848 32 V CB 1.693 33.478 31.823 -0.063 0.000 0.998 32 V HN 0.990 nan 8.190 nan 0.000 0.424 33 E N 5.235 125.467 120.200 0.054 0.000 2.133 33 E HA 0.636 4.986 4.350 -0.000 0.000 0.274 33 E C -1.400 175.249 176.600 0.083 0.000 0.930 33 E CA -0.532 55.934 56.400 0.110 0.000 0.770 33 E CB 1.267 31.103 29.700 0.227 0.000 1.104 33 E HN 0.615 nan 8.360 nan 0.000 0.403 34 L N 3.556 124.814 121.223 0.059 0.000 2.331 34 L HA 0.513 4.852 4.340 -0.000 0.000 0.275 34 L C -0.321 176.575 176.870 0.044 0.000 1.022 34 L CA -0.784 54.082 54.840 0.043 0.000 0.812 34 L CB 1.753 43.827 42.059 0.024 0.000 1.257 34 L HN 0.618 nan 8.230 nan 0.000 0.435 35 E N 1.412 121.635 120.200 0.039 0.000 2.316 35 E HA 0.151 4.501 4.350 -0.000 0.000 0.254 35 E C -0.923 175.697 176.600 0.033 0.000 0.902 35 E CA -0.409 56.013 56.400 0.037 0.000 0.801 35 E CB 1.272 30.996 29.700 0.039 0.000 1.270 35 E HN 0.479 nan 8.360 nan 0.000 0.414 36 E N 5.304 125.523 120.200 0.032 0.000 2.427 36 E HA 0.078 4.428 4.350 -0.000 0.000 0.259 36 E C -1.104 175.521 176.600 0.042 0.000 1.267 36 E CA -0.115 56.310 56.400 0.041 0.000 1.425 36 E CB -0.266 29.455 29.700 0.035 0.000 1.482 36 E HN 0.524 nan 8.360 nan 0.000 0.460 37 E N 0.475 120.696 120.200 0.036 0.000 4.395 37 E HA -0.295 4.055 4.350 -0.000 0.000 0.190 37 E C 0.651 177.267 176.600 0.028 0.000 1.926 37 E CA 0.387 56.805 56.400 0.030 0.000 1.001 37 E CB -1.730 27.987 29.700 0.029 0.000 1.026 37 E HN 0.695 nan 8.360 nan 0.000 0.337 38 G N 2.986 111.802 108.800 0.026 0.000 2.640 38 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.226 38 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.226 38 G C 0.361 175.277 174.900 0.027 0.000 1.222 38 G CA 0.247 45.362 45.100 0.024 0.000 0.729 38 G HN 0.646 nan 8.290 nan 0.000 0.516 39 I N 2.058 122.645 120.570 0.029 0.000 2.371 39 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 39 I C 0.501 176.637 176.117 0.033 0.000 1.028 39 I CA -0.267 61.051 61.300 0.030 0.000 1.345 39 I CB 1.106 39.123 38.000 0.027 0.000 1.407 39 I HN 0.178 nan 8.210 nan 0.000 0.501 40 K N 4.139 124.561 120.400 0.038 0.000 2.182 40 K HA 0.647 4.967 4.320 -0.000 0.000 0.262 40 K C 0.115 176.743 176.600 0.047 0.000 0.957 40 K CA -0.559 55.756 56.287 0.046 0.000 0.842 40 K CB 2.303 34.836 32.500 0.055 0.000 1.099 40 K HN 0.848 nan 8.250 nan 0.000 0.438 41 G N 1.317 110.146 108.800 0.047 0.000 2.478 41 G HA2 0.379 4.339 3.960 -0.000 0.000 0.317 41 G HA3 0.379 4.339 3.960 -0.000 0.000 0.317 41 G C -0.814 174.118 174.900 0.054 0.000 1.259 41 G CA -0.283 44.846 45.100 0.047 0.000 0.933 41 G HN 0.386 nan 8.290 nan 0.000 0.478 42 T N 0.999 115.587 114.554 0.057 0.000 2.792 42 T HA 0.699 5.049 4.350 -0.000 0.000 0.280 42 T C 0.188 174.909 174.700 0.034 0.000 0.990 42 T CA -0.380 61.751 62.100 0.052 0.000 0.960 42 T CB 1.843 70.754 68.868 0.071 0.000 0.939 42 T HN 0.775 nan 8.240 nan 0.000 0.439 43 G N 1.767 110.572 108.800 0.008 0.000 2.590 43 G HA2 0.632 4.592 3.960 -0.000 0.000 0.310 43 G HA3 0.632 4.592 3.960 -0.000 0.000 0.310 43 G C -1.271 173.605 174.900 -0.040 0.000 1.347 43 G CA -0.525 44.575 45.100 0.001 0.000 0.963 43 G HN 0.671 nan 8.290 nan 0.000 0.494 44 E N 0.001 120.178 120.200 -0.039 0.000 2.235 44 E HA 0.708 5.058 4.350 -0.000 0.000 0.265 44 E C -0.378 176.189 176.600 -0.055 0.000 0.940 44 E CA -0.837 55.527 56.400 -0.060 0.000 0.819 44 E CB 2.106 31.771 29.700 -0.057 0.000 1.206 44 E HN 0.783 nan 8.360 nan 0.000 0.409 45 C N -0.018 119.247 119.300 -0.058 0.000 3.288 45 C HA 0.717 5.177 4.460 -0.000 0.000 0.318 45 C C -0.893 174.065 174.990 -0.053 0.000 1.356 45 C CA -0.592 58.394 59.018 -0.054 0.000 1.359 45 C CB 1.227 28.945 27.740 -0.038 0.000 1.688 45 C HN 0.625 nan 8.230 nan 0.000 0.467 46 T N 3.147 117.661 114.554 -0.066 0.000 2.934 46 T HA 0.483 4.833 4.350 -0.000 0.000 0.328 46 T C -2.850 171.824 174.700 -0.043 0.000 1.068 46 T CA -0.394 61.668 62.100 -0.064 0.000 1.018 46 T CB 1.016 69.816 68.868 -0.113 0.000 1.009 46 T HN 0.674 nan 8.240 nan 0.000 0.471 47 P HA -0.035 nan 4.420 nan 0.000 0.260 47 P C -0.945 176.404 177.300 0.081 0.000 1.172 47 P CA -0.215 62.909 63.100 0.039 0.000 0.760 47 P CB 0.181 31.902 31.700 0.035 0.000 0.773 48 Y N 7.284 127.539 120.300 -0.075 0.000 2.535 48 Y HA 0.218 4.768 4.550 -0.000 0.000 0.349 48 Y C -1.628 174.200 175.900 -0.120 0.000 0.992 48 Y CA -3.095 54.911 58.100 -0.156 0.000 1.248 48 Y CB 0.013 38.315 38.460 -0.263 0.000 1.124 48 Y HN 0.437 nan 8.280 nan 0.000 0.520 49 P HA -0.248 nan 4.420 nan 0.000 0.215 49 P C 1.513 178.688 177.300 -0.209 0.000 1.163 49 P CA 2.007 65.065 63.100 -0.071 0.000 0.894 49 P CB 0.132 31.805 31.700 -0.044 0.000 0.791 50 R N -1.512 118.690 120.500 -0.496 0.000 2.371 50 R HA -0.137 4.203 4.340 -0.000 0.000 0.226 50 R C 0.834 176.970 176.300 -0.274 0.000 1.132 50 R CA 1.119 56.894 56.100 -0.542 0.000 1.027 50 R CB -0.401 29.379 30.300 -0.868 0.000 0.848 50 R HN 0.370 nan 8.270 nan 0.000 0.479 51 Y N -1.390 118.682 120.300 -0.381 0.000 2.682 51 Y HA 0.204 4.754 4.550 -0.000 0.000 0.251 51 Y C 0.927 176.782 175.900 -0.074 0.000 1.172 51 Y CA -0.309 57.681 58.100 -0.185 0.000 1.186 51 Y CB 1.536 39.917 38.460 -0.132 0.000 1.216 51 Y HN 0.262 nan 8.280 nan 0.000 0.540 52 G N 1.818 110.658 108.800 0.068 0.000 2.248 52 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.263 52 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.263 52 G C -0.555 174.376 174.900 0.052 0.000 1.082 52 G CA -0.094 45.033 45.100 0.046 0.000 0.863 52 G HN 0.464 nan 8.290 nan 0.000 0.495 53 E N -0.347 119.885 120.200 0.054 0.000 2.288 53 E HA 0.721 5.071 4.350 -0.000 0.000 0.268 53 E C 0.015 176.639 176.600 0.039 0.000 0.885 53 E CA -0.307 56.127 56.400 0.056 0.000 0.767 53 E CB 2.125 31.876 29.700 0.085 0.000 1.220 53 E HN 0.563 nan 8.360 nan 0.000 0.427 54 S N 0.545 116.265 115.700 0.033 0.000 2.697 54 S HA 0.306 4.776 4.470 -0.000 0.000 0.289 54 S C 0.102 174.717 174.600 0.026 0.000 1.149 54 S CA -0.794 57.422 58.200 0.026 0.000 0.850 54 S CB 1.430 64.642 63.200 0.020 0.000 1.151 54 S HN 0.387 nan 8.310 nan 0.000 0.491 55 D N 1.131 121.545 120.400 0.024 0.000 2.117 55 D HA -0.027 4.613 4.640 -0.000 0.000 0.197 55 D C 2.162 178.474 176.300 0.021 0.000 0.987 55 D CA 1.848 55.862 54.000 0.022 0.000 0.829 55 D CB -0.749 40.067 40.800 0.025 0.000 0.961 55 D HN 0.672 nan 8.370 nan 0.000 0.460 56 A N 0.540 123.372 122.820 0.021 0.000 1.877 56 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 56 A C 2.360 179.956 177.584 0.019 0.000 1.186 56 A CA 2.135 54.184 52.037 0.019 0.000 0.620 56 A CB -0.821 18.189 19.000 0.018 0.000 0.822 56 A HN 0.227 nan 8.150 nan 0.000 0.443 57 S N -0.699 115.013 115.700 0.020 0.000 2.359 57 S HA -0.140 4.329 4.470 -0.000 0.000 0.224 57 S C 1.881 176.494 174.600 0.022 0.000 1.035 57 S CA 1.823 60.036 58.200 0.022 0.000 1.018 57 S CB -0.451 62.764 63.200 0.025 0.000 0.876 57 S HN 0.309 nan 8.310 nan 0.000 0.448 58 V N 1.804 121.732 119.914 0.023 0.000 2.453 58 V HA -0.074 4.045 4.120 -0.000 0.000 0.247 58 V C 2.400 178.502 176.094 0.013 0.000 1.048 58 V CA 1.747 64.059 62.300 0.020 0.000 1.049 58 V CB -0.610 31.225 31.823 0.019 0.000 0.672 58 V HN 0.502 nan 8.190 nan 0.000 0.457 59 M N 0.047 119.654 119.600 0.013 0.000 2.175 59 M HA -0.121 4.358 4.480 -0.000 0.000 0.264 59 M C 2.413 178.722 176.300 0.015 0.000 1.063 59 M CA 1.987 57.294 55.300 0.012 0.000 1.119 59 M CB -0.552 32.058 32.600 0.017 0.000 1.377 59 M HN 0.402 nan 8.290 nan 0.000 0.415 60 A N 0.273 123.102 122.820 0.016 0.000 1.908 60 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 60 A C 1.995 179.587 177.584 0.014 0.000 1.181 60 A CA 1.627 53.673 52.037 0.016 0.000 0.627 60 A CB -0.733 18.276 19.000 0.015 0.000 0.818 60 A HN 0.573 nan 8.150 nan 0.000 0.445 61 Q N -0.549 119.260 119.800 0.015 0.000 2.124 61 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 61 Q C 2.065 178.072 176.000 0.012 0.000 0.977 61 Q CA 1.511 57.322 55.803 0.014 0.000 0.850 61 Q CB -0.341 28.407 28.738 0.017 0.000 0.901 61 Q HN 0.760 nan 8.270 nan 0.000 0.429 62 I N 0.160 120.736 120.570 0.010 0.000 2.202 62 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 62 I C 2.224 178.347 176.117 0.011 0.000 1.091 62 I CA 0.741 62.046 61.300 0.008 0.000 1.368 62 I CB -0.299 37.703 38.000 0.002 0.000 1.058 62 I HN 0.274 nan 8.210 nan 0.000 0.410 63 M N 0.857 120.465 119.600 0.014 0.000 2.082 63 M HA -0.205 4.275 4.480 -0.000 0.000 0.258 63 M C 2.701 179.009 176.300 0.013 0.000 1.069 63 M CA 2.231 57.541 55.300 0.016 0.000 1.102 63 M CB -1.859 30.752 32.600 0.018 0.000 1.336 63 M HN 0.413 nan 8.290 nan 0.000 0.404 64 S N -0.674 115.033 115.700 0.012 0.000 2.441 64 S HA -0.108 4.362 4.470 -0.000 0.000 0.242 64 S C 1.662 176.267 174.600 0.009 0.000 1.018 64 S CA 1.542 59.749 58.200 0.010 0.000 0.988 64 S CB -0.591 62.615 63.200 0.010 0.000 0.778 64 S HN 0.361 nan 8.310 nan 0.000 0.498 65 V N 0.473 120.392 119.914 0.009 0.000 3.253 65 V HA 0.318 4.438 4.120 -0.000 0.000 0.320 65 V C 1.506 177.605 176.094 0.008 0.000 1.442 65 V CA 0.160 62.464 62.300 0.007 0.000 1.097 65 V CB 0.493 32.319 31.823 0.005 0.000 1.008 65 V HN 0.389 nan 8.190 nan 0.000 0.463 66 V N 1.807 121.727 119.914 0.011 0.000 2.295 66 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 66 V C 0.030 176.131 176.094 0.012 0.000 1.049 66 V CA 2.812 65.120 62.300 0.013 0.000 1.024 66 V CB -1.403 30.431 31.823 0.018 0.000 0.648 66 V HN 0.508 nan 8.190 nan 0.000 0.447 67 P HA -0.200 nan 4.420 nan 0.000 0.215 67 P C 1.677 178.982 177.300 0.009 0.000 1.157 67 P CA 1.510 64.616 63.100 0.010 0.000 0.874 67 P CB -0.069 31.636 31.700 0.009 0.000 0.790 68 Q N -1.250 118.554 119.800 0.007 0.000 2.297 68 Q HA -0.032 4.307 4.340 -0.000 0.000 0.204 68 Q C 2.061 178.063 176.000 0.004 0.000 0.962 68 Q CA 0.848 56.654 55.803 0.005 0.000 0.879 68 Q CB -0.619 28.120 28.738 0.002 0.000 0.947 68 Q HN 0.261 nan 8.270 nan 0.000 0.462 69 L N 0.314 121.540 121.223 0.005 0.000 2.217 69 L HA -0.142 4.198 4.340 -0.000 0.000 0.211 69 L C 1.831 178.706 176.870 0.009 0.000 1.107 69 L CA 1.039 55.880 54.840 0.003 0.000 0.783 69 L CB -0.060 42.002 42.059 0.004 0.000 0.919 69 L HN 0.259 nan 8.230 nan 0.000 0.442 70 E N -0.320 119.888 120.200 0.014 0.000 2.158 70 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 70 E C 1.603 178.217 176.600 0.024 0.000 0.982 70 E CA 0.481 56.892 56.400 0.019 0.000 0.823 70 E CB 0.181 29.892 29.700 0.018 0.000 0.766 70 E HN 0.243 nan 8.360 nan 0.000 0.468 71 K N -0.218 120.194 120.400 0.020 0.000 2.486 71 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 71 K C 0.997 177.620 176.600 0.038 0.000 1.033 71 K CA 0.773 57.074 56.287 0.023 0.000 1.004 71 K CB 0.751 33.260 32.500 0.015 0.000 0.798 71 K HN 0.268 nan 8.250 nan 0.000 0.495 72 G N 1.583 110.405 108.800 0.037 0.000 2.155 72 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.135 72 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.135 72 G C -0.396 174.506 174.900 0.003 0.000 1.023 72 G CA -0.436 44.693 45.100 0.048 0.000 0.688 72 G HN 0.209 nan 8.290 nan 0.000 0.499 73 L N 3.028 124.245 121.223 -0.010 0.000 2.700 73 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 73 L C 1.398 178.231 176.870 -0.062 0.000 1.176 73 L CA 1.116 55.939 54.840 -0.028 0.000 0.961 73 L CB -0.152 41.894 42.059 -0.022 0.000 1.249 73 L HN 0.553 nan 8.230 nan 0.000 0.487 74 T N 1.716 116.225 114.554 -0.074 0.000 2.788 74 T HA 0.300 4.650 4.350 -0.000 0.000 0.280 74 T C 1.331 175.953 174.700 -0.129 0.000 0.984 74 T CA -0.331 61.696 62.100 -0.123 0.000 0.972 74 T CB 0.663 69.458 68.868 -0.120 0.000 1.039 74 T HN 0.647 nan 8.240 nan 0.000 0.530 75 R N -0.058 120.325 120.500 -0.195 0.000 2.092 75 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 75 R C 2.591 178.821 176.300 -0.116 0.000 1.119 75 R CA 1.435 57.418 56.100 -0.195 0.000 0.970 75 R CB -0.273 29.798 30.300 -0.382 0.000 0.864 75 R HN 0.855 nan 8.270 nan 0.000 0.440 76 E N 1.000 121.133 120.200 -0.113 0.000 2.110 76 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 76 E C 1.349 177.925 176.600 -0.041 0.000 0.988 76 E CA 1.228 57.590 56.400 -0.063 0.000 0.804 76 E CB 0.194 29.859 29.700 -0.059 0.000 0.745 76 E HN 0.419 nan 8.360 nan 0.000 0.458 77 E N 0.248 120.420 120.200 -0.046 0.000 2.152 77 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 77 E C 2.128 178.714 176.600 -0.023 0.000 0.983 77 E CA 0.408 56.790 56.400 -0.030 0.000 0.818 77 E CB -0.038 29.645 29.700 -0.029 0.000 0.758 77 E HN 0.187 nan 8.360 nan 0.000 0.467 78 L N 1.407 122.612 121.223 -0.030 0.000 2.131 78 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 78 L C 1.993 178.861 176.870 -0.004 0.000 1.092 78 L CA 1.587 56.416 54.840 -0.018 0.000 0.759 78 L CB -0.172 41.873 42.059 -0.023 0.000 0.903 78 L HN -0.020 nan 8.230 nan 0.000 0.435 79 Q N 0.130 119.928 119.800 -0.003 0.000 2.226 79 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 79 Q C 1.997 178.000 176.000 0.006 0.000 0.975 79 Q CA 1.511 57.319 55.803 0.009 0.000 0.866 79 Q CB -0.228 28.517 28.738 0.012 0.000 0.915 79 Q HN 0.605 nan 8.270 nan 0.000 0.440 80 K N -0.509 119.891 120.400 0.000 0.000 2.356 80 K HA 0.182 4.501 4.320 -0.000 0.000 0.195 80 K C 1.993 178.594 176.600 0.000 0.000 1.037 80 K CA 0.109 56.395 56.287 -0.000 0.000 1.014 80 K CB 0.479 32.977 32.500 -0.003 0.000 0.815 80 K HN 0.098 nan 8.250 nan 0.000 0.507 81 I N 0.926 121.496 120.570 0.000 0.000 2.270 81 I HA -0.091 4.079 4.170 -0.000 0.000 0.239 81 I C 0.901 177.021 176.117 0.005 0.000 1.080 81 I CA 0.742 62.042 61.300 0.001 0.000 1.383 81 I CB 0.135 38.135 38.000 -0.000 0.000 1.097 81 I HN -0.015 nan 8.210 nan 0.000 0.420 82 L N 1.642 122.869 121.223 0.007 0.000 2.344 82 L HA 0.392 4.732 4.340 -0.000 0.000 0.272 82 L C -2.249 174.630 176.870 0.014 0.000 1.035 82 L CA -1.875 52.972 54.840 0.012 0.000 0.807 82 L CB 0.894 42.962 42.059 0.014 0.000 1.237 82 L HN -0.070 nan 8.230 nan 0.000 0.442 83 P HA 0.211 nan 4.420 nan 0.000 0.278 83 P C -1.008 176.310 177.300 0.030 0.000 1.266 83 P CA -0.560 62.552 63.100 0.019 0.000 0.807 83 P CB 0.991 32.700 31.700 0.015 0.000 1.094 84 A N 0.396 123.238 122.820 0.036 0.000 2.511 84 A HA 0.539 4.859 4.320 -0.000 0.000 0.242 84 A C 0.729 178.354 177.584 0.069 0.000 1.069 84 A CA 0.988 53.056 52.037 0.052 0.000 0.763 84 A CB -1.138 17.898 19.000 0.060 0.000 1.001 84 A HN 0.876 nan 8.150 nan 0.000 0.498 85 G N -0.813 108.029 108.800 0.070 0.000 2.320 85 G HA2 0.568 4.528 3.960 -0.000 0.000 0.297 85 G HA3 0.568 4.528 3.960 -0.000 0.000 0.297 85 G C 0.521 175.457 174.900 0.060 0.000 1.344 85 G CA 0.037 45.190 45.100 0.089 0.000 0.851 85 G HN 1.517 nan 8.290 nan 0.000 0.567 86 A N -0.415 122.442 122.820 0.061 0.000 1.908 86 A HA 0.239 4.559 4.320 -0.000 0.000 0.218 86 A C 2.833 180.426 177.584 0.016 0.000 1.181 86 A CA 3.226 55.278 52.037 0.026 0.000 0.627 86 A CB -1.031 17.984 19.000 0.025 0.000 0.818 86 A HN 2.171 nan 8.150 nan 0.000 0.445 87 A N -0.365 122.469 122.820 0.024 0.000 1.851 87 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 87 A C 2.269 179.862 177.584 0.016 0.000 1.195 87 A CA 1.917 53.963 52.037 0.015 0.000 0.622 87 A CB -0.580 18.432 19.000 0.019 0.000 0.831 87 A HN 0.539 nan 8.150 nan 0.000 0.444 88 R N -0.492 120.022 120.500 0.024 0.000 2.127 88 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 88 R C 2.108 178.427 176.300 0.032 0.000 1.134 88 R CA 1.663 57.779 56.100 0.027 0.000 0.975 88 R CB -0.327 29.992 30.300 0.032 0.000 0.865 88 R HN 0.624 nan 8.270 nan 0.000 0.447 89 N N 0.364 119.080 118.700 0.027 0.000 2.084 89 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 89 N C 1.513 177.036 175.510 0.022 0.000 1.030 89 N CA 1.957 55.021 53.050 0.023 0.000 0.849 89 N CB -0.251 38.236 38.487 0.000 0.000 1.012 89 N HN 0.305 nan 8.380 nan 0.000 0.423 90 A N 0.618 123.441 122.820 0.004 0.000 1.877 90 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 90 A C 2.420 180.010 177.584 0.011 0.000 1.186 90 A CA 1.223 53.256 52.037 -0.007 0.000 0.620 90 A CB -0.848 18.134 19.000 -0.031 0.000 0.822 90 A HN 0.370 nan 8.150 nan 0.000 0.443 91 L N -0.904 120.328 121.223 0.015 0.000 2.027 91 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 91 L C 2.435 179.327 176.870 0.037 0.000 1.074 91 L CA 1.911 56.761 54.840 0.017 0.000 0.745 91 L CB -0.701 41.363 42.059 0.009 0.000 0.898 91 L HN 0.505 nan 8.230 nan 0.000 0.433 92 D N -0.579 119.859 120.400 0.064 0.000 2.123 92 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 92 D C 2.220 178.670 176.300 0.251 0.000 0.992 92 D CA 1.515 55.590 54.000 0.125 0.000 0.833 92 D CB 0.076 40.973 40.800 0.161 0.000 0.954 92 D HN 0.309 nan 8.370 nan 0.000 0.455 93 C N 0.171 119.587 119.300 0.194 0.000 2.440 93 C HA 0.117 4.577 4.460 -0.000 0.000 0.278 93 C C 2.899 177.987 174.990 0.164 0.000 1.295 93 C CA 0.699 59.836 59.018 0.199 0.000 1.738 93 C CB -1.201 26.585 27.740 0.077 0.000 1.987 93 C HN 0.491 nan 8.230 nan 0.000 0.492 94 A N 0.493 123.367 122.820 0.090 0.000 1.933 94 A HA -0.109 4.210 4.320 -0.000 0.000 0.218 94 A C 2.105 179.721 177.584 0.055 0.000 1.175 94 A CA 1.456 53.529 52.037 0.059 0.000 0.628 94 A CB -0.587 18.429 19.000 0.027 0.000 0.814 94 A HN 0.625 nan 8.150 nan 0.000 0.444 95 L N -2.858 118.383 121.223 0.029 0.000 2.093 95 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 95 L C 2.576 179.412 176.870 -0.057 0.000 1.085 95 L CA 1.166 55.972 54.840 -0.057 0.000 0.755 95 L CB -0.491 41.481 42.059 -0.146 0.000 0.904 95 L HN 0.599 nan 8.230 nan 0.000 0.435 96 W N 0.605 121.891 121.300 -0.024 0.000 2.381 96 W HA -0.214 4.446 4.660 -0.000 0.000 0.301 96 W C 2.403 178.911 176.519 -0.019 0.000 1.205 96 W CA 1.259 58.590 57.345 -0.022 0.000 1.285 96 W CB -0.225 29.223 29.460 -0.020 0.000 1.133 96 W HN 0.189 nan 8.180 nan 0.000 0.521 97 D N 0.038 120.573 120.400 0.225 0.000 2.117 97 D HA -0.195 4.445 4.640 -0.000 0.000 0.197 97 D C 2.027 178.377 176.300 0.084 0.000 0.987 97 D CA 1.255 55.333 54.000 0.130 0.000 0.829 97 D CB -0.351 40.504 40.800 0.092 0.000 0.961 97 D HN 0.013 nan 8.370 nan 0.000 0.460 98 L N 0.319 121.575 121.223 0.054 0.000 2.056 98 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 98 L C 2.090 178.960 176.870 -0.001 0.000 1.078 98 L CA 2.030 56.880 54.840 0.018 0.000 0.749 98 L CB -0.836 41.218 42.059 -0.009 0.000 0.901 98 L HN 0.044 nan 8.230 nan 0.000 0.433 99 A N -0.868 121.942 122.820 -0.018 0.000 2.067 99 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 99 A C 2.329 179.926 177.584 0.022 0.000 1.158 99 A CA 1.435 53.446 52.037 -0.043 0.000 0.661 99 A CB -0.815 18.107 19.000 -0.130 0.000 0.801 99 A HN 0.561 nan 8.150 nan 0.000 0.452 100 A N -0.403 122.461 122.820 0.072 0.000 1.943 100 A HA 0.076 4.396 4.320 -0.000 0.000 0.213 100 A C 2.156 179.770 177.584 0.050 0.000 1.181 100 A CA 0.896 52.980 52.037 0.080 0.000 0.653 100 A CB -0.258 18.807 19.000 0.109 0.000 0.833 100 A HN 0.463 nan 8.150 nan 0.000 0.451 101 R N -0.366 120.161 120.500 0.044 0.000 2.115 101 R HA 0.029 4.369 4.340 -0.000 0.000 0.230 101 R C 1.817 178.133 176.300 0.027 0.000 1.111 101 R CA 1.024 57.144 56.100 0.034 0.000 0.976 101 R CB -0.176 30.145 30.300 0.035 0.000 0.870 101 R HN 0.366 nan 8.270 nan 0.000 0.445 102 R N 0.438 120.950 120.500 0.021 0.000 2.346 102 R HA -0.033 4.307 4.340 -0.000 0.000 0.199 102 R C 0.814 177.124 176.300 0.018 0.000 1.015 102 R CA 0.682 56.791 56.100 0.016 0.000 1.058 102 R CB 0.238 30.540 30.300 0.004 0.000 0.921 102 R HN 0.333 nan 8.270 nan 0.000 0.475 103 Q N -0.484 119.329 119.800 0.021 0.000 2.103 103 Q HA 0.076 4.416 4.340 -0.000 0.000 0.219 103 Q C -0.716 175.298 176.000 0.023 0.000 0.784 103 Q CA -0.124 55.692 55.803 0.022 0.000 1.014 103 Q CB 1.251 30.004 28.738 0.024 0.000 1.183 103 Q HN 0.205 nan 8.270 nan 0.000 0.469 104 Q N 1.097 120.911 119.800 0.024 0.000 2.439 104 Q HA -0.240 4.100 4.340 -0.000 0.000 0.325 104 Q C -0.747 175.267 176.000 0.022 0.000 1.372 104 Q CA 0.852 56.668 55.803 0.022 0.000 0.909 104 Q CB -1.374 27.375 28.738 0.018 0.000 1.167 104 Q HN 0.445 nan 8.270 nan 0.000 0.418 105 Q N -0.402 119.414 119.800 0.027 0.000 2.544 105 Q HA 0.641 4.981 4.340 -0.000 0.000 0.291 105 Q C -0.457 175.561 176.000 0.029 0.000 1.068 105 Q CA -0.607 55.212 55.803 0.027 0.000 0.785 105 Q CB 1.854 30.612 28.738 0.033 0.000 1.481 105 Q HN 0.293 nan 8.270 nan 0.000 0.430 106 S N -0.010 115.703 115.700 0.021 0.000 2.585 106 S HA 0.198 4.668 4.470 -0.000 0.000 0.277 106 S C 0.785 175.397 174.600 0.021 0.000 1.241 106 S CA -0.658 57.551 58.200 0.015 0.000 1.041 106 S CB 0.970 64.171 63.200 0.001 0.000 0.987 106 S HN 0.698 nan 8.310 nan 0.000 0.512 107 L N 2.641 123.874 121.223 0.017 0.000 2.064 107 L HA -0.125 4.215 4.340 -0.000 0.000 0.216 107 L C 2.559 179.416 176.870 -0.022 0.000 1.077 107 L CA 2.637 57.484 54.840 0.011 0.000 0.766 107 L CB -1.534 40.505 42.059 -0.033 0.000 0.890 107 L HN 0.973 nan 8.230 nan 0.000 0.435 108 A N -1.015 121.783 122.820 -0.036 0.000 1.883 108 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 108 A C 2.045 179.619 177.584 -0.017 0.000 1.186 108 A CA 1.985 53.997 52.037 -0.043 0.000 0.624 108 A CB -0.832 18.143 19.000 -0.041 0.000 0.822 108 A HN 0.584 nan 8.150 nan 0.000 0.444 109 D N -0.587 119.813 120.400 0.000 0.000 2.144 109 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 109 D C 1.861 178.181 176.300 0.032 0.000 0.978 109 D CA 1.098 55.105 54.000 0.012 0.000 0.833 109 D CB -0.306 40.502 40.800 0.013 0.000 0.961 109 D HN 0.340 nan 8.370 nan 0.000 0.470 110 L N 1.230 122.485 121.223 0.053 0.000 2.012 110 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 110 L C 2.064 179.000 176.870 0.110 0.000 1.073 110 L CA 1.422 56.320 54.840 0.096 0.000 0.748 110 L CB -0.454 41.699 42.059 0.157 0.000 0.891 110 L HN -0.057 nan 8.230 nan 0.000 0.431 111 I N -0.007 120.610 120.570 0.079 0.000 2.252 111 I HA -0.020 4.150 4.170 -0.000 0.000 0.245 111 I C 1.800 177.937 176.117 0.034 0.000 1.102 111 I CA 1.379 62.711 61.300 0.053 0.000 1.385 111 I CB -1.804 36.161 38.000 -0.059 0.000 1.064 111 I HN 0.543 nan 8.210 nan 0.000 0.414 112 G N 1.875 110.685 108.800 0.015 0.000 2.141 112 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.195 112 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.195 112 G C 0.020 174.918 174.900 -0.004 0.000 1.012 112 G CA 0.209 45.315 45.100 0.010 0.000 0.696 112 G HN 0.402 nan 8.290 nan 0.000 0.508 113 I N -2.248 118.311 120.570 -0.018 0.000 2.750 113 I HA 0.919 5.089 4.170 -0.000 0.000 0.308 113 I C 0.099 176.200 176.117 -0.027 0.000 1.016 113 I CA -1.422 59.862 61.300 -0.026 0.000 1.098 113 I CB 1.770 39.745 38.000 -0.042 0.000 1.279 113 I HN -0.046 nan 8.210 nan 0.000 0.454 114 T N 5.190 119.729 114.554 -0.026 0.000 2.771 114 T HA 0.603 4.953 4.350 -0.000 0.000 0.281 114 T C -0.163 174.519 174.700 -0.032 0.000 0.982 114 T CA -0.366 61.719 62.100 -0.025 0.000 0.978 114 T CB 0.676 69.533 68.868 -0.019 0.000 0.930 114 T HN 0.420 nan 8.240 nan 0.000 0.447 115 L N 5.841 127.044 121.223 -0.034 0.000 2.289 115 L HA 0.433 4.773 4.340 -0.000 0.000 0.285 115 L C -1.390 175.460 176.870 -0.034 0.000 1.049 115 L CA -1.970 52.846 54.840 -0.039 0.000 0.804 115 L CB 0.852 42.884 42.059 -0.046 0.000 1.195 115 L HN 0.433 nan 8.230 nan 0.000 0.428 116 P HA 0.010 nan 4.420 nan 0.000 0.274 116 P C 0.103 177.386 177.300 -0.027 0.000 1.260 116 P CA -0.327 62.756 63.100 -0.028 0.000 0.793 116 P CB 1.152 32.834 31.700 -0.030 0.000 1.048 117 E N -0.985 119.206 120.200 -0.016 0.000 2.230 117 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 117 E C -0.284 176.322 176.600 0.010 0.000 0.987 117 E CA 0.692 57.089 56.400 -0.004 0.000 0.841 117 E CB 0.280 29.982 29.700 0.004 0.000 0.783 117 E HN 0.430 nan 8.360 nan 0.000 0.481 118 T N 0.283 114.834 114.554 -0.005 0.000 2.916 118 T HA 0.434 4.784 4.350 -0.000 0.000 0.298 118 T C -1.215 173.445 174.700 -0.067 0.000 1.031 118 T CA -0.645 61.437 62.100 -0.031 0.000 0.993 118 T CB 2.194 71.074 68.868 0.021 0.000 1.045 118 T HN -0.183 nan 8.240 nan 0.000 0.454 119 V N 3.929 123.775 119.914 -0.114 0.000 2.487 119 V HA 0.477 4.597 4.120 -0.000 0.000 0.298 119 V C -0.023 176.033 176.094 -0.064 0.000 1.028 119 V CA -0.914 61.340 62.300 -0.076 0.000 0.860 119 V CB 1.685 33.465 31.823 -0.072 0.000 0.991 119 V HN 0.816 nan 8.190 nan 0.000 0.427 120 I N 4.942 125.499 120.570 -0.021 0.000 2.452 120 I HA 0.270 4.440 4.170 -0.000 0.000 0.287 120 I C 0.679 176.829 176.117 0.054 0.000 1.079 120 I CA 0.380 61.687 61.300 0.012 0.000 1.387 120 I CB 1.141 39.164 38.000 0.037 0.000 1.404 120 I HN 0.774 nan 8.210 nan 0.000 0.522 121 T N 3.102 117.697 114.554 0.068 0.000 2.856 121 T HA 0.701 5.051 4.350 -0.000 0.000 0.283 121 T C -0.125 174.637 174.700 0.102 0.000 1.008 121 T CA -0.978 61.185 62.100 0.104 0.000 0.997 121 T CB 1.836 70.794 68.868 0.150 0.000 0.992 121 T HN 0.609 nan 8.240 nan 0.000 0.454 122 A N 3.263 126.147 122.820 0.107 0.000 2.492 122 A HA 0.411 4.731 4.320 -0.000 0.000 0.254 122 A C 0.468 178.103 177.584 0.085 0.000 1.091 122 A CA -0.389 51.703 52.037 0.091 0.000 0.768 122 A CB -0.044 18.996 19.000 0.066 0.000 1.028 122 A HN 0.749 nan 8.150 nan 0.000 0.498 123 Q N 1.551 121.395 119.800 0.074 0.000 2.257 123 Q HA 0.300 4.640 4.340 -0.000 0.000 0.255 123 Q C -0.256 175.785 176.000 0.069 0.000 0.920 123 Q CA 0.076 55.911 55.803 0.054 0.000 0.927 123 Q CB 1.544 30.303 28.738 0.036 0.000 1.229 123 Q HN 0.742 nan 8.270 nan 0.000 0.433 124 T N 1.752 116.361 114.554 0.091 0.000 2.851 124 T HA 0.283 4.633 4.350 -0.000 0.000 0.298 124 T C -0.009 174.733 174.700 0.071 0.000 0.977 124 T CA -0.268 61.907 62.100 0.125 0.000 1.126 124 T CB 0.604 69.647 68.868 0.291 0.000 0.916 124 T HN 0.208 nan 8.240 nan 0.000 0.529 125 V N 5.510 125.465 119.914 0.068 0.000 2.293 125 V HA 0.276 4.395 4.120 -0.000 0.000 0.275 125 V C 0.503 176.635 176.094 0.064 0.000 1.021 125 V CA -0.873 61.459 62.300 0.053 0.000 0.815 125 V CB 0.948 32.799 31.823 0.047 0.000 1.025 125 V HN 0.835 nan 8.190 nan 0.000 0.448 126 V N 3.928 123.883 119.914 0.069 0.000 3.051 126 V HA 0.454 4.574 4.120 -0.000 0.000 0.306 126 V C 0.584 176.716 176.094 0.064 0.000 1.083 126 V CA -0.555 61.793 62.300 0.080 0.000 1.104 126 V CB 0.664 32.541 31.823 0.089 0.000 1.027 126 V HN 0.607 nan 8.190 nan 0.000 0.483 127 I N 3.117 123.728 120.570 0.069 0.000 2.815 127 I HA 0.507 4.677 4.170 -0.000 0.000 0.291 127 I C 1.024 177.174 176.117 0.056 0.000 1.209 127 I CA 1.542 62.883 61.300 0.068 0.000 1.431 127 I CB 0.137 38.184 38.000 0.078 0.000 1.351 127 I HN 1.123 nan 8.210 nan 0.000 0.585 128 G N 3.115 111.946 108.800 0.051 0.000 2.342 128 G HA2 0.340 4.300 3.960 -0.000 0.000 0.297 128 G HA3 0.340 4.300 3.960 -0.000 0.000 0.297 128 G C -0.674 174.246 174.900 0.034 0.000 1.313 128 G CA -0.312 44.811 45.100 0.037 0.000 0.830 128 G HN 0.663 nan 8.290 nan 0.000 0.506 129 T N -0.850 113.717 114.554 0.023 0.000 2.855 129 T HA 0.384 4.734 4.350 -0.000 0.000 0.314 129 T C -1.191 173.522 174.700 0.022 0.000 1.077 129 T CA -0.180 61.931 62.100 0.019 0.000 1.095 129 T CB 1.423 70.297 68.868 0.010 0.000 0.987 129 T HN 0.143 nan 8.240 nan 0.000 0.546 130 P HA -0.133 nan 4.420 nan 0.000 0.216 130 P C 1.243 178.551 177.300 0.014 0.000 1.157 130 P CA 1.414 64.525 63.100 0.018 0.000 0.880 130 P CB -0.068 31.639 31.700 0.013 0.000 0.791 131 D N -0.829 119.578 120.400 0.010 0.000 2.106 131 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 131 D C 1.994 178.300 176.300 0.011 0.000 0.997 131 D CA 1.565 55.570 54.000 0.008 0.000 0.834 131 D CB -0.569 40.235 40.800 0.006 0.000 0.956 131 D HN 0.189 nan 8.370 nan 0.000 0.448 132 Q N -0.750 119.058 119.800 0.013 0.000 2.096 132 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 132 Q C 2.486 178.497 176.000 0.018 0.000 0.982 132 Q CA 1.388 57.200 55.803 0.014 0.000 0.850 132 Q CB -0.204 28.543 28.738 0.015 0.000 0.901 132 Q HN 0.440 nan 8.270 nan 0.000 0.422 133 M N -0.087 119.527 119.600 0.023 0.000 2.229 133 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 133 M C 2.307 178.621 176.300 0.023 0.000 1.063 133 M CA 1.240 56.556 55.300 0.027 0.000 1.114 133 M CB -0.262 32.358 32.600 0.033 0.000 1.387 133 M HN 0.250 nan 8.290 nan 0.000 0.420 134 A N 0.862 123.693 122.820 0.017 0.000 1.872 134 A HA -0.127 4.192 4.320 -0.000 0.000 0.214 134 A C 1.908 179.502 177.584 0.017 0.000 1.187 134 A CA 1.493 53.537 52.037 0.011 0.000 0.614 134 A CB -0.655 18.348 19.000 0.004 0.000 0.826 134 A HN 0.429 nan 8.150 nan 0.000 0.442 135 N N 0.122 118.833 118.700 0.018 0.000 2.120 135 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 135 N C 2.090 177.618 175.510 0.029 0.000 1.024 135 N CA 1.595 54.658 53.050 0.021 0.000 0.852 135 N CB -0.486 38.011 38.487 0.016 0.000 1.003 135 N HN 0.485 nan 8.380 nan 0.000 0.424 136 S N 0.667 116.382 115.700 0.025 0.000 2.356 136 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 136 S C 2.026 176.653 174.600 0.045 0.000 1.032 136 S CA 1.394 59.610 58.200 0.026 0.000 1.005 136 S CB -0.270 62.942 63.200 0.020 0.000 0.867 136 S HN 0.388 nan 8.310 nan 0.000 0.449 137 A N 0.472 123.321 122.820 0.049 0.000 1.908 137 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 137 A C 2.449 180.103 177.584 0.117 0.000 1.181 137 A CA 2.224 54.304 52.037 0.072 0.000 0.627 137 A CB -1.419 17.606 19.000 0.042 0.000 0.818 137 A HN 0.616 nan 8.150 nan 0.000 0.445 138 S N -1.107 114.646 115.700 0.089 0.000 2.356 138 S HA -0.139 4.331 4.470 -0.000 0.000 0.223 138 S C 2.079 176.780 174.600 0.168 0.000 1.032 138 S CA 2.186 60.464 58.200 0.129 0.000 1.005 138 S CB -0.605 62.639 63.200 0.073 0.000 0.867 138 S HN 0.617 nan 8.310 nan 0.000 0.449 139 T N 2.783 117.397 114.554 0.100 0.000 2.746 139 T HA 0.037 4.387 4.350 -0.000 0.000 0.267 139 T C 1.719 176.461 174.700 0.069 0.000 1.039 139 T CA 1.415 63.558 62.100 0.070 0.000 1.142 139 T CB -0.361 68.527 68.868 0.033 0.000 0.866 139 T HN 0.330 nan 8.240 nan 0.000 0.444 140 L N -0.127 121.145 121.223 0.082 0.000 2.141 140 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 140 L C 2.512 179.444 176.870 0.104 0.000 1.094 140 L CA 0.968 55.848 54.840 0.067 0.000 0.763 140 L CB -0.449 41.649 42.059 0.064 0.000 0.908 140 L HN 0.498 nan 8.230 nan 0.000 0.437 141 W N 1.219 122.520 121.300 0.003 0.000 2.418 141 W HA -0.156 4.504 4.660 -0.000 0.000 0.292 141 W C 2.175 178.699 176.519 0.009 0.000 1.213 141 W CA 1.027 58.377 57.345 0.009 0.000 1.283 141 W CB -0.040 29.427 29.460 0.011 0.000 1.119 141 W HN 0.243 nan 8.180 nan 0.000 0.542 142 Q N 0.609 120.423 119.800 0.023 0.000 2.119 142 Q HA -0.122 4.218 4.340 -0.000 0.000 0.201 142 Q C 2.338 178.261 176.000 -0.127 0.000 0.972 142 Q CA 1.744 57.508 55.803 -0.065 0.000 0.847 142 Q CB -0.969 27.796 28.738 0.045 0.000 0.903 142 Q HN 0.352 nan 8.270 nan 0.000 0.433 143 A N -0.175 122.596 122.820 -0.083 0.000 2.239 143 A HA 0.244 4.564 4.320 -0.000 0.000 0.209 143 A C 1.496 179.015 177.584 -0.110 0.000 1.171 143 A CA 1.250 53.241 52.037 -0.076 0.000 0.768 143 A CB -0.163 18.812 19.000 -0.042 0.000 0.790 143 A HN 0.482 nan 8.150 nan 0.000 0.478 144 G N -2.704 105.977 108.800 -0.199 0.000 2.205 144 G HA2 0.177 4.137 3.960 -0.000 0.000 0.180 144 G HA3 0.177 4.137 3.960 -0.000 0.000 0.180 144 G C 0.311 175.092 174.900 -0.198 0.000 1.004 144 G CA -0.054 44.914 45.100 -0.220 0.000 0.670 144 G HN 1.465 nan 8.290 nan 0.000 0.496 145 A N 0.576 123.317 122.820 -0.131 0.000 2.395 145 A HA 0.683 5.003 4.320 -0.000 0.000 0.286 145 A C 1.149 178.753 177.584 0.034 0.000 1.193 145 A CA 0.777 52.800 52.037 -0.022 0.000 0.852 145 A CB 0.278 19.306 19.000 0.047 0.000 1.118 145 A HN 0.361 nan 8.150 nan 0.000 0.524 146 K N 1.333 121.759 120.400 0.044 0.000 2.262 146 K HA 0.087 4.407 4.320 -0.000 0.000 0.200 146 K C -0.015 176.762 176.600 0.295 0.000 1.049 146 K CA 0.435 56.844 56.287 0.202 0.000 0.979 146 K CB 0.071 32.637 32.500 0.109 0.000 0.773 146 K HN 0.553 nan 8.250 nan 0.000 0.474 147 L N 1.750 123.092 121.223 0.198 0.000 2.298 147 L HA 0.366 4.706 4.340 -0.000 0.000 0.284 147 L C -1.328 175.626 176.870 0.140 0.000 1.013 147 L CA -0.448 54.503 54.840 0.185 0.000 0.824 147 L CB 0.948 43.126 42.059 0.199 0.000 1.221 147 L HN -0.081 nan 8.230 nan 0.000 0.418 148 L N 4.953 126.247 121.223 0.118 0.000 2.322 148 L HA 0.529 4.869 4.340 -0.000 0.000 0.281 148 L C -0.170 176.718 176.870 0.032 0.000 1.014 148 L CA -0.690 54.200 54.840 0.083 0.000 0.815 148 L CB 1.648 43.762 42.059 0.092 0.000 1.247 148 L HN 0.577 nan 8.230 nan 0.000 0.421 149 K N 3.127 123.543 120.400 0.027 0.000 2.292 149 K HA 0.419 4.739 4.320 -0.000 0.000 0.270 149 K C -1.105 175.501 176.600 0.011 0.000 1.062 149 K CA -0.529 55.754 56.287 -0.007 0.000 0.916 149 K CB 1.215 33.714 32.500 -0.002 0.000 1.166 149 K HN 0.361 nan 8.250 nan 0.000 0.458 150 V N 5.610 125.522 119.914 -0.003 0.000 2.432 150 V HA 0.146 4.266 4.120 -0.000 0.000 0.271 150 V C 0.235 176.334 176.094 0.008 0.000 1.046 150 V CA -0.485 61.825 62.300 0.017 0.000 0.945 150 V CB 0.918 32.756 31.823 0.024 0.000 0.992 150 V HN 0.649 nan 8.190 nan 0.000 0.471 151 K N 5.943 126.359 120.400 0.028 0.000 2.258 151 K HA 0.610 4.930 4.320 -0.000 0.000 0.284 151 K C -0.850 175.779 176.600 0.050 0.000 1.051 151 K CA -0.222 56.078 56.287 0.021 0.000 0.923 151 K CB 1.381 33.905 32.500 0.040 0.000 1.046 151 K HN 0.507 nan 8.250 nan 0.000 0.474 152 L N 2.391 123.643 121.223 0.048 0.000 2.409 152 L HA 0.309 4.649 4.340 -0.000 0.000 0.262 152 L C 0.019 176.996 176.870 0.180 0.000 0.992 152 L CA -0.882 54.046 54.840 0.147 0.000 0.817 152 L CB 2.063 44.281 42.059 0.266 0.000 1.350 152 L HN 0.699 nan 8.230 nan 0.000 0.411 153 D N -0.463 120.078 120.400 0.235 0.000 2.535 153 D HA 0.104 4.744 4.640 -0.000 0.000 0.240 153 D C 0.243 176.717 176.300 0.290 0.000 1.200 153 D CA -0.419 53.718 54.000 0.228 0.000 1.088 153 D CB 0.295 41.203 40.800 0.180 0.000 1.197 153 D HN 0.343 nan 8.370 nan 0.000 0.620 154 N N -1.796 116.926 118.700 0.038 0.000 2.322 154 N HA 0.018 4.758 4.740 -0.000 0.000 0.194 154 N C -0.848 174.388 175.510 -0.456 0.000 1.126 154 N CA 0.034 52.953 53.050 -0.219 0.000 0.845 154 N CB -0.006 38.305 38.487 -0.293 0.000 0.976 154 N HN 0.260 nan 8.380 nan 0.000 0.475 155 H N 0.007 119.094 119.070 0.027 0.000 2.573 155 H HA 0.264 4.820 4.556 -0.000 0.000 0.351 155 H C 0.618 175.943 175.328 -0.006 0.000 1.163 155 H CA -0.778 55.268 56.048 -0.004 0.000 1.205 155 H CB 1.311 31.081 29.762 0.012 0.000 1.605 155 H HN -0.116 nan 8.280 nan 0.000 0.525 156 L N 2.092 123.379 121.223 0.107 0.000 3.941 156 L HA -0.273 4.067 4.340 -0.000 0.000 0.455 156 L C 1.109 177.992 176.870 0.021 0.000 1.179 156 L CA -0.231 54.637 54.840 0.047 0.000 0.782 156 L CB -1.163 40.931 42.059 0.058 0.000 1.679 156 L HN 0.595 nan 8.230 nan 0.000 0.871 157 I N -0.851 119.700 120.570 -0.032 0.000 2.208 157 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 157 I C 2.386 178.491 176.117 -0.019 0.000 1.097 157 I CA 1.913 63.193 61.300 -0.034 0.000 1.363 157 I CB -0.834 37.042 38.000 -0.207 0.000 1.051 157 I HN 0.419 nan 8.210 nan 0.000 0.413 158 S N 0.082 115.754 115.700 -0.046 0.000 2.338 158 S HA -0.193 4.277 4.470 -0.000 0.000 0.218 158 S C 1.974 176.568 174.600 -0.009 0.000 1.032 158 S CA 1.255 59.437 58.200 -0.031 0.000 0.999 158 S CB -0.209 62.963 63.200 -0.046 0.000 0.905 158 S HN 0.451 nan 8.310 nan 0.000 0.439 159 E N 1.055 121.252 120.200 -0.006 0.000 2.085 159 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 159 E C 2.293 178.899 176.600 0.010 0.000 0.994 159 E CA 0.937 57.337 56.400 0.001 0.000 0.801 159 E CB 0.011 29.712 29.700 0.001 0.000 0.743 159 E HN 0.308 nan 8.360 nan 0.000 0.453 160 R N -0.413 120.101 120.500 0.022 0.000 2.097 160 R HA -0.165 4.175 4.340 -0.000 0.000 0.236 160 R C 2.453 178.771 176.300 0.031 0.000 1.135 160 R CA 1.979 58.099 56.100 0.033 0.000 0.934 160 R CB -0.251 30.083 30.300 0.055 0.000 0.846 160 R HN 0.271 nan 8.270 nan 0.000 0.431 161 M N 0.099 119.721 119.600 0.037 0.000 2.159 161 M HA -0.113 4.367 4.480 -0.000 0.000 0.263 161 M C 2.329 178.637 176.300 0.013 0.000 1.063 161 M CA 1.296 56.616 55.300 0.034 0.000 1.110 161 M CB -0.639 31.991 32.600 0.050 0.000 1.374 161 M HN 0.025 nan 8.290 nan 0.000 0.411 162 V N 0.394 120.312 119.914 0.006 0.000 2.270 162 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 162 V C 2.675 178.764 176.094 -0.008 0.000 1.043 162 V CA 1.812 64.109 62.300 -0.004 0.000 1.014 162 V CB -1.242 30.576 31.823 -0.007 0.000 0.645 162 V HN 0.476 nan 8.190 nan 0.000 0.447 163 A N -0.277 122.541 122.820 -0.004 0.000 1.940 163 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 163 A C 2.168 179.745 177.584 -0.011 0.000 1.176 163 A CA 2.013 54.046 52.037 -0.006 0.000 0.631 163 A CB -0.558 18.442 19.000 0.001 0.000 0.814 163 A HN 0.523 nan 8.150 nan 0.000 0.446 164 I N -1.190 119.377 120.570 -0.006 0.000 2.163 164 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 164 I C 2.672 178.766 176.117 -0.038 0.000 1.081 164 I CA 1.713 63.006 61.300 -0.012 0.000 1.353 164 I CB -0.258 37.744 38.000 0.004 0.000 1.054 164 I HN 0.301 nan 8.210 nan 0.000 0.407 165 R N 1.120 121.598 120.500 -0.036 0.000 2.105 165 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 165 R C 2.087 178.341 176.300 -0.076 0.000 1.135 165 R CA 2.216 58.281 56.100 -0.059 0.000 0.967 165 R CB -1.206 29.071 30.300 -0.038 0.000 0.861 165 R HN 0.243 nan 8.270 nan 0.000 0.442 166 T N 0.104 114.625 114.554 -0.054 0.000 2.833 166 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 166 T C 1.707 176.365 174.700 -0.070 0.000 1.054 166 T CA 1.383 63.451 62.100 -0.054 0.000 1.135 166 T CB -0.358 68.490 68.868 -0.034 0.000 0.869 166 T HN 0.440 nan 8.240 nan 0.000 0.466 167 A N 1.249 124.026 122.820 -0.071 0.000 1.898 167 A HA 0.145 4.465 4.320 -0.000 0.000 0.214 167 A C 1.586 179.079 177.584 -0.152 0.000 1.183 167 A CA 1.006 52.998 52.037 -0.076 0.000 0.622 167 A CB -0.207 18.769 19.000 -0.041 0.000 0.824 167 A HN 0.509 nan 8.150 nan 0.000 0.444 168 V N -3.240 116.546 119.914 -0.213 0.000 2.271 168 V HA 0.337 4.456 4.120 -0.000 0.000 0.259 168 V C -1.840 174.002 176.094 -0.421 0.000 1.030 168 V CA -1.184 60.852 62.300 -0.441 0.000 0.957 168 V CB 0.747 32.323 31.823 -0.411 0.000 1.186 168 V HN 0.245 nan 8.190 nan 0.000 0.471 169 P HA -0.104 nan 4.420 nan 0.000 0.221 169 P C 0.462 177.603 177.300 -0.265 0.000 1.145 169 P CA 1.306 64.268 63.100 -0.230 0.000 0.795 169 P CB 0.462 32.067 31.700 -0.158 0.000 0.775 170 D N -0.644 119.478 120.400 -0.463 0.000 2.389 170 D HA 0.156 4.796 4.640 -0.000 0.000 0.206 170 D C 0.962 176.995 176.300 -0.444 0.000 1.055 170 D CA 0.050 53.818 54.000 -0.386 0.000 0.856 170 D CB 0.167 40.803 40.800 -0.274 0.000 0.957 170 D HN 0.115 nan 8.370 nan 0.000 0.509 171 A N 0.839 123.242 122.820 -0.695 0.000 2.462 171 A HA 0.307 4.627 4.320 -0.000 0.000 0.243 171 A C 0.495 178.073 177.584 -0.009 0.000 1.076 171 A CA 0.121 52.002 52.037 -0.261 0.000 0.773 171 A CB 0.261 19.143 19.000 -0.197 0.000 1.010 171 A HN -0.060 nan 8.150 nan 0.000 0.493 172 T N 3.270 117.909 114.554 0.142 0.000 2.761 172 T HA 0.470 4.820 4.350 -0.000 0.000 0.296 172 T C -0.134 174.624 174.700 0.096 0.000 0.934 172 T CA 0.278 62.459 62.100 0.136 0.000 1.091 172 T CB -0.185 68.814 68.868 0.218 0.000 0.896 172 T HN 0.406 nan 8.240 nan 0.000 0.515 173 L N 5.280 126.530 121.223 0.044 0.000 2.329 173 L HA 0.709 5.049 4.340 -0.000 0.000 0.279 173 L C -0.008 176.826 176.870 -0.060 0.000 1.014 173 L CA -1.121 53.720 54.840 0.001 0.000 0.814 173 L CB 1.421 43.479 42.059 -0.002 0.000 1.257 173 L HN 0.613 nan 8.230 nan 0.000 0.424 174 I N 0.182 120.684 120.570 -0.114 0.000 2.689 174 I HA 0.720 4.890 4.170 -0.000 0.000 0.299 174 I C -1.002 175.038 176.117 -0.128 0.000 1.059 174 I CA -0.994 60.186 61.300 -0.200 0.000 1.055 174 I CB 2.324 40.078 38.000 -0.411 0.000 1.243 174 I HN 0.195 nan 8.210 nan 0.000 0.425 175 V N 3.399 123.236 119.914 -0.127 0.000 2.448 175 V HA 0.332 4.452 4.120 -0.000 0.000 0.295 175 V C -0.861 175.124 176.094 -0.182 0.000 1.025 175 V CA -0.141 62.088 62.300 -0.118 0.000 0.859 175 V CB 1.642 33.413 31.823 -0.087 0.000 0.988 175 V HN 0.764 nan 8.190 nan 0.000 0.431 176 D N 3.931 124.234 120.400 -0.163 0.000 2.473 176 D HA 0.490 5.130 4.640 -0.000 0.000 0.226 176 D C 0.679 176.831 176.300 -0.247 0.000 1.089 176 D CA -0.217 53.672 54.000 -0.186 0.000 0.883 176 D CB 1.786 42.514 40.800 -0.121 0.000 1.029 176 D HN 0.575 nan 8.370 nan 0.000 0.517 177 A N 3.971 126.525 122.820 -0.443 0.000 2.208 177 A HA -0.014 4.306 4.320 -0.000 0.000 0.209 177 A C 1.169 178.547 177.584 -0.344 0.000 1.161 177 A CA 0.024 51.676 52.037 -0.642 0.000 0.782 177 A CB -0.668 17.374 19.000 -1.597 0.000 0.816 177 A HN 0.827 nan 8.150 nan 0.000 0.477 178 N N 0.624 119.189 118.700 -0.224 0.000 2.689 178 N HA -0.228 4.511 4.740 -0.000 0.000 0.263 178 N C -0.458 175.005 175.510 -0.077 0.000 0.987 178 N CA 0.825 53.803 53.050 -0.120 0.000 0.782 178 N CB -0.778 37.660 38.487 -0.082 0.000 0.903 178 N HN 0.675 nan 8.380 nan 0.000 0.547 179 E N -2.401 117.752 120.200 -0.077 0.000 3.065 179 E HA -0.288 4.062 4.350 -0.000 0.000 0.277 179 E C 0.720 177.338 176.600 0.030 0.000 1.008 179 E CA 1.017 57.411 56.400 -0.009 0.000 0.864 179 E CB -1.607 28.101 29.700 0.013 0.000 1.439 179 E HN 0.783 nan 8.360 nan 0.000 0.445 180 S N -1.555 114.164 115.700 0.032 0.000 2.517 180 S HA 0.048 4.518 4.470 -0.000 0.000 0.214 180 S C 0.516 175.295 174.600 0.297 0.000 0.991 180 S CA -0.507 57.773 58.200 0.134 0.000 0.906 180 S CB 0.108 63.391 63.200 0.138 0.000 0.789 180 S HN 0.269 nan 8.310 nan 0.000 0.513 181 W N 2.463 123.754 121.300 -0.015 0.000 2.213 181 W HA 0.665 5.325 4.660 -0.000 0.000 0.356 181 W C 0.849 177.360 176.519 -0.013 0.000 1.273 181 W CA -1.351 55.979 57.345 -0.025 0.000 1.391 181 W CB 0.391 29.840 29.460 -0.017 0.000 1.187 181 W HN 0.006 nan 8.180 nan 0.000 0.649 182 R N 0.031 120.643 120.500 0.187 0.000 2.912 182 R HA 0.573 4.913 4.340 -0.000 0.000 0.262 182 R C 0.885 177.235 176.300 0.083 0.000 1.057 182 R CA -0.395 55.765 56.100 0.101 0.000 0.981 182 R CB 0.899 31.219 30.300 0.034 0.000 1.201 182 R HN 0.513 nan 8.270 nan 0.000 0.484 183 A N 0.891 123.754 122.820 0.072 0.000 1.865 183 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 183 A C 0.756 178.351 177.584 0.018 0.000 1.191 183 A CA 1.542 53.621 52.037 0.071 0.000 0.623 183 A CB -0.547 18.494 19.000 0.068 0.000 0.826 183 A HN 0.696 nan 8.150 nan 0.000 0.444 184 E N -0.323 119.873 120.200 -0.007 0.000 2.491 184 E HA 0.315 4.665 4.350 -0.000 0.000 0.250 184 E C 0.920 177.467 176.600 -0.089 0.000 1.061 184 E CA 0.920 57.295 56.400 -0.042 0.000 0.942 184 E CB -0.712 28.965 29.700 -0.038 0.000 0.957 184 E HN 1.003 nan 8.360 nan 0.000 0.480 185 G N 3.701 112.431 108.800 -0.117 0.000 2.176 185 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.253 185 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.253 185 G C 0.639 175.406 174.900 -0.221 0.000 0.979 185 G CA 0.275 45.273 45.100 -0.169 0.000 0.641 185 G HN 0.615 nan 8.290 nan 0.000 0.530 186 L N 0.897 122.006 121.223 -0.189 0.000 2.079 186 L HA 0.377 4.717 4.340 -0.000 0.000 0.210 186 L C 2.883 179.519 176.870 -0.390 0.000 1.081 186 L CA 3.144 57.884 54.840 -0.165 0.000 0.752 186 L CB -0.806 41.258 42.059 0.008 0.000 0.896 186 L HN 0.697 nan 8.230 nan 0.000 0.433 187 A N -0.376 122.024 122.820 -0.699 0.000 1.855 187 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 187 A C 2.479 179.824 177.584 -0.397 0.000 1.191 187 A CA 1.795 53.278 52.037 -0.925 0.000 0.613 187 A CB -1.297 17.175 19.000 -0.879 0.000 0.829 187 A HN 0.564 nan 8.150 nan 0.000 0.442 188 A N -0.339 122.314 122.820 -0.279 0.000 1.940 188 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 188 A C 2.256 179.748 177.584 -0.154 0.000 1.176 188 A CA 1.731 53.662 52.037 -0.177 0.000 0.631 188 A CB -0.479 18.428 19.000 -0.156 0.000 0.814 188 A HN 0.565 nan 8.150 nan 0.000 0.446 189 R N -1.135 119.248 120.500 -0.195 0.000 2.066 189 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 189 R C 2.276 178.563 176.300 -0.022 0.000 1.131 189 R CA 1.599 57.591 56.100 -0.180 0.000 0.955 189 R CB -0.735 29.325 30.300 -0.399 0.000 0.851 189 R HN 0.613 nan 8.270 nan 0.000 0.432 190 C N 0.362 119.671 119.300 0.016 0.000 2.413 190 C HA -0.098 4.362 4.460 -0.000 0.000 0.277 190 C C 2.631 177.656 174.990 0.059 0.000 1.265 190 C CA 0.588 59.667 59.018 0.102 0.000 1.752 190 C CB -0.703 27.116 27.740 0.132 0.000 1.998 190 C HN 0.476 nan 8.230 nan 0.000 0.489 191 Q N 0.702 120.501 119.800 -0.002 0.000 2.124 191 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 191 Q C 1.996 178.001 176.000 0.008 0.000 0.977 191 Q CA 1.387 57.193 55.803 0.005 0.000 0.850 191 Q CB -0.545 28.176 28.738 -0.028 0.000 0.901 191 Q HN 0.617 nan 8.270 nan 0.000 0.429 192 L N -0.554 120.665 121.223 -0.007 0.000 2.056 192 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 192 L C 1.853 178.738 176.870 0.026 0.000 1.078 192 L CA 1.579 56.417 54.840 -0.003 0.000 0.749 192 L CB -0.509 41.535 42.059 -0.025 0.000 0.901 192 L HN 0.329 nan 8.230 nan 0.000 0.433 193 L N -0.488 120.768 121.223 0.056 0.000 2.083 193 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 193 L C 2.660 179.563 176.870 0.055 0.000 1.083 193 L CA 1.167 56.051 54.840 0.073 0.000 0.752 193 L CB -1.021 41.107 42.059 0.115 0.000 0.899 193 L HN 0.411 nan 8.230 nan 0.000 0.433 194 A N -0.185 122.668 122.820 0.055 0.000 1.898 194 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 194 A C 1.874 179.479 177.584 0.035 0.000 1.181 194 A CA 1.673 53.740 52.037 0.051 0.000 0.620 194 A CB -0.429 18.607 19.000 0.060 0.000 0.819 194 A HN 0.334 nan 8.150 nan 0.000 0.442 195 D N 0.032 120.447 120.400 0.025 0.000 2.221 195 D HA -0.089 4.550 4.640 -0.000 0.000 0.204 195 D C 1.427 177.733 176.300 0.011 0.000 0.982 195 D CA 0.912 54.920 54.000 0.015 0.000 0.857 195 D CB -0.176 40.627 40.800 0.006 0.000 0.934 195 D HN 0.466 nan 8.370 nan 0.000 0.475 196 L N -0.724 120.507 121.223 0.015 0.000 2.628 196 L HA 0.232 4.572 4.340 -0.000 0.000 0.229 196 L C 1.269 178.144 176.870 0.009 0.000 1.137 196 L CA 0.094 54.939 54.840 0.008 0.000 0.909 196 L CB 0.084 42.149 42.059 0.009 0.000 1.137 196 L HN 0.036 nan 8.230 nan 0.000 0.470 197 G N 0.664 109.476 108.800 0.020 0.000 2.160 197 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 197 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 197 G C 0.264 175.184 174.900 0.034 0.000 1.008 197 G CA 0.077 45.193 45.100 0.027 0.000 0.724 197 G HN 0.126 nan 8.290 nan 0.000 0.514 198 V N 0.578 120.512 119.914 0.035 0.000 2.493 198 V HA 0.333 4.453 4.120 -0.000 0.000 0.292 198 V C 1.900 178.020 176.094 0.043 0.000 1.016 198 V CA 0.973 63.292 62.300 0.030 0.000 1.097 198 V CB 0.691 32.534 31.823 0.033 0.000 0.947 198 V HN 0.879 nan 8.190 nan 0.000 0.479 199 A N 5.661 128.509 122.820 0.046 0.000 1.969 199 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 199 A C 0.900 178.526 177.584 0.070 0.000 1.169 199 A CA 1.388 53.486 52.037 0.102 0.000 0.635 199 A CB 0.015 19.140 19.000 0.208 0.000 0.810 199 A HN 0.711 nan 8.150 nan 0.000 0.445 200 M N -1.192 118.383 119.600 -0.042 0.000 2.490 200 M HA 0.509 4.989 4.480 -0.000 0.000 0.286 200 M C -2.641 173.606 176.300 -0.087 0.000 1.185 200 M CA -0.835 54.433 55.300 -0.054 0.000 0.912 200 M CB 1.719 34.245 32.600 -0.123 0.000 1.744 200 M HN 0.185 nan 8.290 nan 0.000 0.494 201 L N 3.411 124.604 121.223 -0.051 0.000 2.313 201 L HA 0.611 4.951 4.340 -0.000 0.000 0.283 201 L C -0.848 175.964 176.870 -0.096 0.000 1.013 201 L CA 0.162 54.944 54.840 -0.098 0.000 0.816 201 L CB 1.523 43.541 42.059 -0.068 0.000 1.236 201 L HN 0.844 nan 8.230 nan 0.000 0.419 202 E N 3.435 123.543 120.200 -0.152 0.000 2.151 202 E HA 0.253 4.603 4.350 -0.000 0.000 0.275 202 E C -0.551 175.977 176.600 -0.120 0.000 0.936 202 E CA -0.692 55.645 56.400 -0.104 0.000 0.777 202 E CB 1.025 30.653 29.700 -0.119 0.000 1.108 202 E HN 0.663 nan 8.360 nan 0.000 0.401 203 Q N 4.266 124.068 119.800 0.003 0.000 2.417 203 Q HA -0.166 4.174 4.340 -0.000 0.000 0.368 203 Q C -1.862 174.096 176.000 -0.070 0.000 1.359 203 Q CA 0.713 56.543 55.803 0.045 0.000 1.122 203 Q CB -0.050 28.688 28.738 -0.001 0.000 1.295 203 Q HN 0.502 nan 8.270 nan 0.000 0.337 204 P HA -0.113 nan 4.420 nan 0.000 0.221 204 P C 0.016 177.319 177.300 0.005 0.000 1.150 204 P CA 1.044 64.009 63.100 -0.224 0.000 0.800 204 P CB 0.325 31.943 31.700 -0.136 0.000 0.787 205 L N -0.387 120.884 121.223 0.081 0.000 2.322 205 L HA 0.501 4.841 4.340 -0.000 0.000 0.269 205 L C -2.485 174.447 176.870 0.104 0.000 1.012 205 L CA -3.099 51.808 54.840 0.112 0.000 0.815 205 L CB 1.296 43.429 42.059 0.124 0.000 1.295 205 L HN -0.371 nan 8.230 nan 0.000 0.438 206 P HA -0.011 nan 4.420 nan 0.000 0.266 206 P C 0.081 177.439 177.300 0.098 0.000 1.195 206 P CA 0.105 63.253 63.100 0.079 0.000 0.768 206 P CB 0.846 32.585 31.700 0.065 0.000 0.838 207 A N 3.871 126.749 122.820 0.097 0.000 2.024 207 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 207 A C 1.576 179.211 177.584 0.084 0.000 1.164 207 A CA 1.495 53.596 52.037 0.106 0.000 0.643 207 A CB -0.841 18.228 19.000 0.115 0.000 0.806 207 A HN 0.662 nan 8.150 nan 0.000 0.451 208 Q N -1.223 118.616 119.800 0.066 0.000 2.222 208 Q HA 0.142 4.481 4.340 -0.000 0.000 0.206 208 Q C -1.082 174.948 176.000 0.050 0.000 0.877 208 Q CA 0.359 56.190 55.803 0.047 0.000 0.958 208 Q CB 0.146 28.904 28.738 0.032 0.000 1.075 208 Q HN 0.385 nan 8.270 nan 0.000 0.483 209 D N 1.560 122.000 120.400 0.066 0.000 3.784 209 D HA 0.032 4.672 4.640 -0.000 0.000 0.261 209 D C -0.994 175.354 176.300 0.079 0.000 1.391 209 D CA 0.114 54.152 54.000 0.063 0.000 0.797 209 D CB 0.288 41.120 40.800 0.054 0.000 1.391 209 D HN 0.293 nan 8.370 nan 0.000 0.734 210 D N -1.024 119.431 120.400 0.092 0.000 2.538 210 D HA 0.211 4.851 4.640 -0.000 0.000 0.231 210 D C 1.419 177.752 176.300 0.055 0.000 1.229 210 D CA -0.369 53.688 54.000 0.095 0.000 0.828 210 D CB 0.218 41.120 40.800 0.170 0.000 1.035 210 D HN 0.090 nan 8.370 nan 0.000 0.495 211 A N 1.046 123.898 122.820 0.053 0.000 1.933 211 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 211 A C 2.343 179.948 177.584 0.034 0.000 1.175 211 A CA 1.572 53.631 52.037 0.037 0.000 0.628 211 A CB -0.807 18.216 19.000 0.037 0.000 0.814 211 A HN 0.386 nan 8.150 nan 0.000 0.444 212 A N -0.281 122.578 122.820 0.066 0.000 2.139 212 A HA -0.091 4.229 4.320 -0.000 0.000 0.221 212 A C 1.889 179.547 177.584 0.124 0.000 1.159 212 A CA 1.372 53.478 52.037 0.114 0.000 0.662 212 A CB -0.680 18.408 19.000 0.148 0.000 0.796 212 A HN 0.515 nan 8.150 nan 0.000 0.463 213 L N -1.050 120.180 121.223 0.011 0.000 2.551 213 L HA -0.096 4.244 4.340 -0.000 0.000 0.228 213 L C 1.842 178.599 176.870 -0.188 0.000 1.153 213 L CA 0.832 55.592 54.840 -0.134 0.000 0.851 213 L CB -0.284 41.618 42.059 -0.262 0.000 0.959 213 L HN 0.496 nan 8.230 nan 0.000 0.451 214 E N -0.609 119.516 120.200 -0.124 0.000 2.476 214 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 214 E C 0.725 177.260 176.600 -0.108 0.000 1.021 214 E CA -0.148 56.165 56.400 -0.146 0.000 0.907 214 E CB 0.313 29.967 29.700 -0.077 0.000 0.974 214 E HN 0.420 nan 8.360 nan 0.000 0.489 215 N N 0.842 119.531 118.700 -0.019 0.000 2.370 215 N HA 0.072 4.811 4.740 -0.000 0.000 0.198 215 N C -0.551 175.098 175.510 0.231 0.000 1.156 215 N CA 0.374 53.484 53.050 0.100 0.000 0.839 215 N CB 0.078 38.662 38.487 0.161 0.000 0.989 215 N HN 0.132 nan 8.380 nan 0.000 0.468 216 F N -2.332 117.646 119.950 0.047 0.000 2.708 216 F HA 0.475 5.002 4.527 -0.000 0.000 0.309 216 F C -1.209 174.633 175.800 0.070 0.000 1.120 216 F CA -1.447 56.589 58.000 0.059 0.000 0.978 216 F CB 0.433 39.479 39.000 0.077 0.000 1.283 216 F HN -0.298 nan 8.300 nan 0.000 0.439 217 I N 3.820 124.512 120.570 0.203 0.000 2.505 217 I HA 0.093 4.263 4.170 -0.000 0.000 0.287 217 I C 0.279 176.569 176.117 0.288 0.000 1.104 217 I CA -0.049 61.295 61.300 0.075 0.000 1.387 217 I CB 0.010 38.052 38.000 0.069 0.000 1.404 217 I HN 0.627 nan 8.210 nan 0.000 0.528 218 H N 8.428 127.502 119.070 0.007 0.000 3.046 218 H HA 0.020 4.576 4.556 -0.000 0.000 0.303 218 H C -1.173 174.242 175.328 0.145 0.000 1.002 218 H CA -1.326 54.792 56.048 0.118 0.000 1.460 218 H CB 0.470 30.217 29.762 -0.024 0.000 1.493 218 H HN 0.505 nan 8.280 nan 0.000 0.559 219 P HA -0.042 nan 4.420 nan 0.000 0.231 219 P C -0.030 177.357 177.300 0.145 0.000 1.168 219 P CA 0.855 64.063 63.100 0.180 0.000 0.779 219 P CB 0.542 32.330 31.700 0.146 0.000 0.844 220 L N -4.611 116.709 121.223 0.162 0.000 2.469 220 L HA 0.780 5.120 4.340 -0.000 0.000 0.256 220 L C -3.308 173.644 176.870 0.138 0.000 1.006 220 L CA -2.929 51.987 54.840 0.126 0.000 0.832 220 L CB 1.536 43.655 42.059 0.100 0.000 1.421 220 L HN -0.473 nan 8.230 nan 0.000 0.410 221 P HA 0.301 nan 4.420 nan 0.000 0.268 221 P C -0.979 176.393 177.300 0.120 0.000 1.204 221 P CA 0.429 63.619 63.100 0.149 0.000 0.768 221 P CB 0.529 32.324 31.700 0.160 0.000 0.842 222 I N 2.623 123.278 120.570 0.141 0.000 2.389 222 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 222 I C -0.018 176.259 176.117 0.267 0.000 0.999 222 I CA -0.747 60.610 61.300 0.096 0.000 1.129 222 I CB 1.562 39.484 38.000 -0.131 0.000 1.288 222 I HN 0.331 nan 8.210 nan 0.000 0.444 223 C N 5.993 125.423 119.300 0.216 0.000 2.365 223 C HA 0.780 5.240 4.460 -0.000 0.000 0.351 223 C C 0.753 175.811 174.990 0.113 0.000 1.240 223 C CA -0.272 58.863 59.018 0.194 0.000 2.062 223 C CB 0.528 28.311 27.740 0.071 0.000 2.387 223 C HN 0.843 nan 8.230 nan 0.000 0.537 224 A N 4.384 127.086 122.820 -0.196 0.000 2.301 224 A HA 0.503 4.823 4.320 -0.000 0.000 0.298 224 A C 0.203 177.624 177.584 -0.271 0.000 1.185 224 A CA -0.010 51.632 52.037 -0.659 0.000 0.830 224 A CB 0.597 18.961 19.000 -1.060 0.000 1.112 224 A HN 1.002 nan 8.150 nan 0.000 0.508 225 D N 0.843 121.131 120.400 -0.186 0.000 3.074 225 D HA 0.040 4.680 4.640 -0.000 0.000 0.227 225 D C 1.318 177.615 176.300 -0.005 0.000 1.553 225 D CA 0.481 54.432 54.000 -0.081 0.000 1.347 225 D CB -0.078 40.685 40.800 -0.061 0.000 1.021 225 D HN 0.435 nan 8.370 nan 0.000 0.260 226 E N 0.092 120.319 120.200 0.045 0.000 2.204 226 E HA 0.004 4.354 4.350 -0.000 0.000 0.195 226 E C 1.894 178.632 176.600 0.230 0.000 0.990 226 E CA 0.871 57.380 56.400 0.183 0.000 0.821 226 E CB -0.057 29.735 29.700 0.152 0.000 0.750 226 E HN 0.065 nan 8.360 nan 0.000 0.477 227 S N -0.638 115.095 115.700 0.056 0.000 2.561 227 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 227 S C 0.548 175.143 174.600 -0.009 0.000 0.977 227 S CA 0.087 58.289 58.200 0.002 0.000 0.926 227 S CB -0.057 63.063 63.200 -0.133 0.000 0.769 227 S HN 0.345 nan 8.310 nan 0.000 0.533 228 C N 2.112 121.436 119.300 0.040 0.000 2.293 228 C HA 0.546 5.006 4.460 -0.000 0.000 0.323 228 C C 0.954 176.074 174.990 0.216 0.000 1.240 228 C CA -0.661 58.376 59.018 0.032 0.000 1.497 228 C CB -0.714 26.950 27.740 -0.127 0.000 2.171 228 C HN 0.590 nan 8.230 nan 0.000 0.465 229 H N 2.565 121.597 119.070 -0.065 0.000 2.317 229 H HA 0.224 4.780 4.556 -0.000 0.000 0.291 229 H C 1.068 176.370 175.328 -0.042 0.000 0.999 229 H CA 0.805 56.839 56.048 -0.025 0.000 1.336 229 H CB 0.752 30.476 29.762 -0.063 0.000 1.485 229 H HN 0.679 nan 8.280 nan 0.000 0.597 230 T N -1.736 112.867 114.554 0.080 0.000 2.716 230 T HA 0.301 4.650 4.350 -0.000 0.000 0.286 230 T C 0.741 175.417 174.700 -0.040 0.000 1.052 230 T CA -0.897 61.210 62.100 0.011 0.000 1.024 230 T CB 2.539 71.416 68.868 0.015 0.000 1.349 230 T HN 0.041 nan 8.240 nan 0.000 0.525 231 R N 0.245 120.722 120.500 -0.037 0.000 2.159 231 R HA -0.061 4.279 4.340 -0.000 0.000 0.237 231 R C 2.593 178.863 176.300 -0.051 0.000 1.131 231 R CA 1.348 57.418 56.100 -0.049 0.000 0.982 231 R CB -0.623 29.663 30.300 -0.023 0.000 0.868 231 R HN 0.668 nan 8.270 nan 0.000 0.453 232 S N 0.906 116.577 115.700 -0.049 0.000 2.419 232 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 232 S C 1.133 175.690 174.600 -0.072 0.000 1.019 232 S CA 1.644 59.811 58.200 -0.055 0.000 0.982 232 S CB -0.134 63.029 63.200 -0.062 0.000 0.789 232 S HN 0.421 nan 8.310 nan 0.000 0.490 233 N N 0.695 119.336 118.700 -0.097 0.000 2.422 233 N HA 0.262 5.002 4.740 -0.000 0.000 0.181 233 N C 1.443 176.903 175.510 -0.083 0.000 1.080 233 N CA 0.242 53.229 53.050 -0.105 0.000 0.893 233 N CB -0.176 38.226 38.487 -0.142 0.000 0.973 233 N HN 0.299 nan 8.380 nan 0.000 0.456 234 L N 1.129 122.290 121.223 -0.103 0.000 2.089 234 L HA -0.281 4.059 4.340 -0.000 0.000 0.213 234 L C 2.502 179.411 176.870 0.064 0.000 1.079 234 L CA 1.388 56.163 54.840 -0.108 0.000 0.758 234 L CB -0.401 41.604 42.059 -0.089 0.000 0.891 234 L HN 0.304 nan 8.230 nan 0.000 0.433 235 K N 0.461 120.892 120.400 0.052 0.000 2.002 235 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 235 K C 2.158 178.813 176.600 0.092 0.000 1.048 235 K CA 1.483 57.817 56.287 0.079 0.000 0.930 235 K CB -0.137 32.386 32.500 0.039 0.000 0.714 235 K HN 0.242 nan 8.250 nan 0.000 0.438 236 A N 1.778 124.634 122.820 0.059 0.000 1.908 236 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 236 A C 2.217 179.886 177.584 0.141 0.000 1.181 236 A CA 1.489 53.568 52.037 0.071 0.000 0.627 236 A CB -0.667 18.353 19.000 0.034 0.000 0.818 236 A HN 0.372 nan 8.150 nan 0.000 0.445 237 L N -0.927 120.397 121.223 0.168 0.000 2.141 237 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 237 L C 1.030 178.170 176.870 0.450 0.000 1.094 237 L CA 0.588 55.620 54.840 0.320 0.000 0.763 237 L CB -0.514 41.632 42.059 0.144 0.000 0.908 237 L HN 0.154 nan 8.230 nan 0.000 0.437 238 K N 1.161 121.817 120.400 0.428 0.000 2.430 238 K HA 0.140 4.459 4.320 -0.000 0.000 0.280 238 K C 0.808 177.469 176.600 0.101 0.000 1.063 238 K CA 0.934 57.388 56.287 0.277 0.000 1.071 238 K CB -0.182 32.430 32.500 0.187 0.000 0.899 238 K HN 0.320 nan 8.250 nan 0.000 0.473 239 G N 3.886 112.695 108.800 0.014 0.000 2.179 239 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 239 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 239 G C 0.867 175.711 174.900 -0.093 0.000 0.990 239 G CA 0.315 45.373 45.100 -0.071 0.000 0.646 239 G HN 0.608 nan 8.290 nan 0.000 0.517 240 R N -1.555 118.948 120.500 0.005 0.000 2.412 240 R HA 0.364 4.704 4.340 -0.000 0.000 0.212 240 R C -0.162 175.977 176.300 -0.269 0.000 0.878 240 R CA 0.403 56.422 56.100 -0.135 0.000 1.022 240 R CB 0.814 31.048 30.300 -0.110 0.000 1.265 240 R HN 0.390 nan 8.270 nan 0.000 0.620 241 Y N -0.558 119.875 120.300 0.222 0.000 2.524 241 Y HA 0.238 4.788 4.550 -0.000 0.000 0.347 241 Y C 0.473 176.528 175.900 0.258 0.000 1.005 241 Y CA -0.918 57.335 58.100 0.255 0.000 1.025 241 Y CB 2.011 40.610 38.460 0.232 0.000 1.275 241 Y HN -0.247 nan 8.280 nan 0.000 0.460 242 E N 0.944 121.368 120.200 0.374 0.000 2.307 242 E HA 0.154 4.504 4.350 -0.000 0.000 0.195 242 E C -0.310 176.495 176.600 0.341 0.000 0.975 242 E CA 0.373 56.916 56.400 0.239 0.000 0.878 242 E CB 0.771 30.577 29.700 0.176 0.000 0.845 242 E HN 0.537 nan 8.360 nan 0.000 0.488 243 M N 0.663 120.487 119.600 0.373 0.000 2.572 243 M HA 0.430 4.910 4.480 -0.000 0.000 0.299 243 M C -1.601 174.813 176.300 0.190 0.000 1.205 243 M CA -1.153 54.324 55.300 0.294 0.000 0.876 243 M CB 2.001 34.735 32.600 0.224 0.000 1.728 243 M HN -0.114 nan 8.290 nan 0.000 0.458 244 V N 1.150 121.111 119.914 0.078 0.000 2.604 244 V HA 0.602 4.722 4.120 -0.000 0.000 0.305 244 V C -0.948 175.126 176.094 -0.033 0.000 1.043 244 V CA -0.784 61.476 62.300 -0.066 0.000 0.888 244 V CB 1.657 33.362 31.823 -0.197 0.000 0.995 244 V HN 0.917 nan 8.190 nan 0.000 0.429 245 N N 4.255 122.920 118.700 -0.060 0.000 2.462 245 N HA 0.407 5.147 4.740 -0.000 0.000 0.242 245 N C -0.661 174.816 175.510 -0.055 0.000 1.010 245 N CA -0.399 52.627 53.050 -0.041 0.000 0.939 245 N CB 0.805 39.260 38.487 -0.054 0.000 1.127 245 N HN 0.839 nan 8.380 nan 0.000 0.509 246 I N 3.122 123.666 120.570 -0.044 0.000 2.371 246 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 246 I C 0.419 176.497 176.117 -0.065 0.000 1.028 246 I CA -0.086 61.183 61.300 -0.052 0.000 1.345 246 I CB 0.669 38.642 38.000 -0.044 0.000 1.407 246 I HN 0.194 nan 8.210 nan 0.000 0.501 247 K N 6.294 126.647 120.400 -0.078 0.000 2.507 247 K HA 0.395 4.715 4.320 -0.000 0.000 0.251 247 K C 0.486 177.030 176.600 -0.092 0.000 0.943 247 K CA -0.726 55.497 56.287 -0.108 0.000 0.794 247 K CB 2.526 34.925 32.500 -0.169 0.000 1.188 247 K HN 0.523 nan 8.250 nan 0.000 0.428 248 L N 1.327 122.496 121.223 -0.090 0.000 2.127 248 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 248 L C 1.234 178.069 176.870 -0.058 0.000 1.089 248 L CA 1.320 56.120 54.840 -0.067 0.000 0.757 248 L CB -0.243 41.775 42.059 -0.069 0.000 0.899 248 L HN 0.708 nan 8.230 nan 0.000 0.434 249 D N 0.309 120.650 120.400 -0.098 0.000 2.219 249 D HA -0.137 4.503 4.640 -0.000 0.000 0.205 249 D C 2.098 178.383 176.300 -0.025 0.000 0.970 249 D CA 1.137 55.086 54.000 -0.085 0.000 0.851 249 D CB 0.128 40.820 40.800 -0.180 0.000 0.943 249 D HN 0.419 nan 8.370 nan 0.000 0.488 250 K N -0.023 120.354 120.400 -0.038 0.000 2.166 250 K HA -0.014 4.306 4.320 -0.000 0.000 0.201 250 K C 2.156 178.787 176.600 0.052 0.000 1.052 250 K CA 0.997 57.305 56.287 0.034 0.000 0.969 250 K CB 0.108 32.604 32.500 -0.007 0.000 0.761 250 K HN 0.114 nan 8.250 nan 0.000 0.459 251 T N -2.036 112.531 114.554 0.021 0.000 3.055 251 T HA 0.079 4.429 4.350 -0.000 0.000 0.265 251 T C 1.300 176.022 174.700 0.037 0.000 1.111 251 T CA 0.555 62.673 62.100 0.030 0.000 1.118 251 T CB 0.024 68.896 68.868 0.007 0.000 0.909 251 T HN 0.311 nan 8.240 nan 0.000 0.501 252 G N 0.525 109.344 108.800 0.032 0.000 2.248 252 G HA2 0.364 4.324 3.960 -0.000 0.000 0.263 252 G HA3 0.364 4.324 3.960 -0.000 0.000 0.263 252 G C 0.522 175.448 174.900 0.043 0.000 1.082 252 G CA -0.132 44.991 45.100 0.038 0.000 0.863 252 G HN 1.867 nan 8.290 nan 0.000 0.495 253 G N -2.073 106.747 108.800 0.034 0.000 2.406 253 G HA2 0.269 4.229 3.960 -0.000 0.000 0.680 253 G HA3 0.269 4.229 3.960 -0.000 0.000 0.680 253 G C 0.389 175.315 174.900 0.043 0.000 1.338 253 G CA -0.033 45.104 45.100 0.061 0.000 0.941 253 G HN 1.555 nan 8.290 nan 0.000 0.633 254 L N 0.585 121.824 121.223 0.027 0.000 2.083 254 L HA 0.094 4.434 4.340 -0.000 0.000 0.209 254 L C 2.886 179.760 176.870 0.007 0.000 1.083 254 L CA 3.457 58.228 54.840 -0.114 0.000 0.752 254 L CB -0.909 40.862 42.059 -0.479 0.000 0.899 254 L HN 0.821 nan 8.230 nan 0.000 0.433 255 T N -0.705 114.013 114.554 0.272 0.000 2.684 255 T HA -0.236 4.114 4.350 -0.000 0.000 0.267 255 T C 1.742 176.523 174.700 0.135 0.000 1.036 255 T CA 1.758 64.043 62.100 0.308 0.000 1.148 255 T CB -0.217 68.847 68.868 0.326 0.000 0.863 255 T HN 0.375 nan 8.240 nan 0.000 0.436 256 E N 1.236 121.490 120.200 0.091 0.000 2.107 256 E HA 0.086 4.436 4.350 -0.000 0.000 0.191 256 E C 2.221 178.834 176.600 0.020 0.000 0.982 256 E CA 1.091 57.520 56.400 0.049 0.000 0.809 256 E CB -0.581 29.143 29.700 0.041 0.000 0.756 256 E HN 0.411 nan 8.360 nan 0.000 0.459 257 A N 0.721 123.543 122.820 0.004 0.000 1.883 257 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 257 A C 2.308 179.875 177.584 -0.029 0.000 1.186 257 A CA 1.649 53.670 52.037 -0.026 0.000 0.624 257 A CB -0.906 18.062 19.000 -0.054 0.000 0.822 257 A HN 0.348 nan 8.150 nan 0.000 0.444 258 L N -0.871 120.333 121.223 -0.030 0.000 2.012 258 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 258 L C 3.089 179.960 176.870 0.002 0.000 1.073 258 L CA 1.243 56.067 54.840 -0.026 0.000 0.748 258 L CB -0.532 41.512 42.059 -0.024 0.000 0.891 258 L HN 0.446 nan 8.230 nan 0.000 0.431 259 A N -0.454 122.379 122.820 0.021 0.000 2.015 259 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 259 A C 2.159 179.748 177.584 0.008 0.000 1.163 259 A CA 1.403 53.453 52.037 0.022 0.000 0.646 259 A CB -0.517 18.502 19.000 0.032 0.000 0.806 259 A HN 0.339 nan 8.150 nan 0.000 0.448 260 L N -0.403 120.818 121.223 -0.004 0.000 2.072 260 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 260 L C 2.588 179.445 176.870 -0.020 0.000 1.079 260 L CA 1.990 56.817 54.840 -0.021 0.000 0.752 260 L CB -0.987 41.052 42.059 -0.033 0.000 0.906 260 L HN 0.307 nan 8.230 nan 0.000 0.436 261 A N -1.127 121.684 122.820 -0.015 0.000 1.865 261 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 261 A C 2.251 179.843 177.584 0.012 0.000 1.191 261 A CA 2.520 54.553 52.037 -0.006 0.000 0.623 261 A CB -1.335 17.656 19.000 -0.015 0.000 0.826 261 A HN 0.503 nan 8.150 nan 0.000 0.444 262 T N -0.479 114.082 114.554 0.012 0.000 2.652 262 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 262 T C 1.951 176.672 174.700 0.034 0.000 1.039 262 T CA 1.810 63.923 62.100 0.022 0.000 1.153 262 T CB -0.321 68.559 68.868 0.020 0.000 0.863 262 T HN 0.564 nan 8.240 nan 0.000 0.428 263 E N 1.327 121.545 120.200 0.029 0.000 2.110 263 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 263 E C 2.182 178.825 176.600 0.071 0.000 0.988 263 E CA 1.379 57.803 56.400 0.040 0.000 0.804 263 E CB -0.613 29.100 29.700 0.021 0.000 0.745 263 E HN 0.451 nan 8.360 nan 0.000 0.458 264 A N 0.579 123.430 122.820 0.053 0.000 1.873 264 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 264 A C 2.246 179.977 177.584 0.245 0.000 1.186 264 A CA 1.565 53.667 52.037 0.108 0.000 0.616 264 A CB -0.462 18.525 19.000 -0.021 0.000 0.823 264 A HN 0.189 nan 8.150 nan 0.000 0.442 265 R N -0.556 120.028 120.500 0.140 0.000 2.094 265 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 265 R C 2.489 178.853 176.300 0.106 0.000 1.137 265 R CA 1.423 57.594 56.100 0.118 0.000 0.943 265 R CB -0.601 29.738 30.300 0.065 0.000 0.850 265 R HN 0.510 nan 8.270 nan 0.000 0.433 266 A N 0.996 123.869 122.820 0.088 0.000 1.997 266 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 266 A C 1.759 179.388 177.584 0.075 0.000 1.172 266 A CA 1.530 53.607 52.037 0.067 0.000 0.645 266 A CB -0.370 18.665 19.000 0.058 0.000 0.813 266 A HN 0.426 nan 8.150 nan 0.000 0.454 267 Q N -1.909 117.975 119.800 0.140 0.000 2.280 267 Q HA 0.298 4.638 4.340 -0.000 0.000 0.202 267 Q C 0.996 176.969 176.000 -0.045 0.000 0.903 267 Q CA 0.314 56.187 55.803 0.117 0.000 0.948 267 Q CB 0.185 29.100 28.738 0.294 0.000 1.058 267 Q HN 0.914 nan 8.270 nan 0.000 0.493 268 G N 0.608 109.398 108.800 -0.015 0.000 2.157 268 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.248 268 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.248 268 G C -0.176 174.637 174.900 -0.144 0.000 0.979 268 G CA -0.395 44.636 45.100 -0.114 0.000 0.650 268 G HN 0.275 nan 8.290 nan 0.000 0.529 269 F N 2.267 122.235 119.950 0.030 0.000 2.375 269 F HA 0.576 5.103 4.527 0.000 0.000 0.333 269 F C 1.304 177.128 175.800 0.040 0.000 1.104 269 F CA 0.083 58.109 58.000 0.043 0.000 1.149 269 F CB 1.424 40.450 39.000 0.043 0.000 1.190 269 F HN 0.212 nan 8.300 nan 0.000 0.533 270 S N 2.906 118.756 115.700 0.249 0.000 2.646 270 S HA 0.796 5.266 4.470 -0.000 0.000 0.276 270 S C -0.705 173.991 174.600 0.160 0.000 1.222 270 S CA -0.951 57.345 58.200 0.160 0.000 1.014 270 S CB 1.220 64.504 63.200 0.141 0.000 0.991 270 S HN 0.502 nan 8.310 nan 0.000 0.533 271 L N 1.399 122.684 121.223 0.104 0.000 2.319 271 L HA 0.683 5.022 4.340 -0.000 0.000 0.267 271 L C -0.265 176.663 176.870 0.096 0.000 1.011 271 L CA -0.715 54.173 54.840 0.081 0.000 0.818 271 L CB 1.821 43.904 42.059 0.041 0.000 1.316 271 L HN 0.658 nan 8.230 nan 0.000 0.432 272 M N 2.517 122.170 119.600 0.088 0.000 2.484 272 M HA 0.502 4.982 4.480 -0.000 0.000 0.289 272 M C -2.180 174.150 176.300 0.051 0.000 1.206 272 M CA -0.795 54.577 55.300 0.119 0.000 0.892 272 M CB 2.852 35.543 32.600 0.152 0.000 1.712 272 M HN 0.457 nan 8.290 nan 0.000 0.462 273 L N 3.802 125.053 121.223 0.047 0.000 2.305 273 L HA 0.873 5.213 4.340 -0.000 0.000 0.284 273 L C -0.416 176.454 176.870 -0.001 0.000 1.013 273 L CA 0.216 55.060 54.840 0.006 0.000 0.819 273 L CB 1.447 43.504 42.059 -0.003 0.000 1.227 273 L HN 0.763 nan 8.230 nan 0.000 0.417 274 G N 2.979 111.757 108.800 -0.036 0.000 2.887 274 G HA2 0.730 4.690 3.960 -0.000 0.000 0.277 274 G HA3 0.730 4.690 3.960 -0.000 0.000 0.277 274 G C -1.029 173.817 174.900 -0.089 0.000 1.346 274 G CA -0.042 45.022 45.100 -0.061 0.000 1.058 274 G HN 1.092 nan 8.290 nan 0.000 0.535 275 C N -2.233 116.989 119.300 -0.129 0.000 3.295 275 C HA 0.832 5.292 4.460 -0.000 0.000 0.341 275 C C -0.402 174.450 174.990 -0.230 0.000 1.418 275 C CA -1.077 57.848 59.018 -0.156 0.000 1.240 275 C CB 0.800 28.477 27.740 -0.106 0.000 1.562 275 C HN 0.714 nan 8.230 nan 0.000 0.457 276 M N 1.001 120.449 119.600 -0.254 0.000 2.840 276 M HA 0.534 5.014 4.480 -0.000 0.000 0.283 276 M C -0.284 175.856 176.300 -0.266 0.000 1.136 276 M CA -0.808 54.305 55.300 -0.311 0.000 0.857 276 M CB 0.693 33.090 32.600 -0.338 0.000 1.644 276 M HN 0.755 nan 8.290 nan 0.000 0.520 277 L N 1.589 122.652 121.223 -0.267 0.000 2.410 277 L HA 0.251 4.591 4.340 -0.000 0.000 0.273 277 L C -0.134 176.637 176.870 -0.166 0.000 1.144 277 L CA -0.181 54.526 54.840 -0.221 0.000 0.863 277 L CB 0.035 41.983 42.059 -0.184 0.000 1.140 277 L HN 0.885 nan 8.230 nan 0.000 0.463 278 C N -0.012 119.191 119.300 -0.162 0.000 3.272 278 C HA 0.700 5.160 4.460 -0.000 0.000 0.363 278 C C 0.219 175.051 174.990 -0.264 0.000 1.514 278 C CA -0.582 58.322 59.018 -0.191 0.000 1.185 278 C CB 1.338 28.985 27.740 -0.155 0.000 1.716 278 C HN 0.811 nan 8.230 nan 0.000 0.440 279 T N -1.078 113.270 114.554 -0.342 0.000 2.897 279 T HA 0.479 4.829 4.350 -0.000 0.000 0.278 279 T C 0.926 175.512 174.700 -0.190 0.000 0.981 279 T CA 0.410 62.261 62.100 -0.416 0.000 0.973 279 T CB 1.079 69.567 68.868 -0.634 0.000 1.092 279 T HN 0.901 nan 8.240 nan 0.000 0.543 280 S N -0.138 115.488 115.700 -0.123 0.000 2.420 280 S HA -0.118 4.352 4.470 -0.000 0.000 0.237 280 S C 2.129 176.709 174.600 -0.033 0.000 1.023 280 S CA 1.007 59.199 58.200 -0.012 0.000 0.991 280 S CB -0.470 62.739 63.200 0.015 0.000 0.792 280 S HN 0.638 nan 8.310 nan 0.000 0.488 281 R N 1.013 121.476 120.500 -0.063 0.000 2.103 281 R HA -0.116 4.224 4.340 -0.000 0.000 0.242 281 R C 2.519 178.792 176.300 -0.044 0.000 1.142 281 R CA 1.485 57.560 56.100 -0.041 0.000 0.960 281 R CB -0.457 29.823 30.300 -0.034 0.000 0.858 281 R HN 0.440 nan 8.270 nan 0.000 0.439 282 A N 0.869 123.651 122.820 -0.064 0.000 1.968 282 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 282 A C 2.004 179.557 177.584 -0.051 0.000 1.169 282 A CA 0.850 52.849 52.037 -0.064 0.000 0.638 282 A CB -0.161 18.787 19.000 -0.086 0.000 0.812 282 A HN 0.068 nan 8.150 nan 0.000 0.446 283 I N 0.259 120.814 120.570 -0.026 0.000 2.202 283 I HA -0.144 4.025 4.170 -0.000 0.000 0.242 283 I C 2.544 178.645 176.117 -0.028 0.000 1.091 283 I CA 1.579 62.880 61.300 0.001 0.000 1.368 283 I CB -1.684 36.369 38.000 0.089 0.000 1.058 283 I HN 0.203 nan 8.210 nan 0.000 0.410 284 S N 1.416 117.097 115.700 -0.032 0.000 2.374 284 S HA -0.210 4.260 4.470 -0.000 0.000 0.227 284 S C 2.181 176.742 174.600 -0.066 0.000 1.037 284 S CA 1.588 59.760 58.200 -0.047 0.000 1.024 284 S CB -0.454 62.725 63.200 -0.035 0.000 0.861 284 S HN 0.577 nan 8.310 nan 0.000 0.456 285 A N 0.726 123.506 122.820 -0.066 0.000 2.067 285 A HA 0.245 4.564 4.320 -0.000 0.000 0.219 285 A C 2.140 179.642 177.584 -0.137 0.000 1.158 285 A CA 1.495 53.474 52.037 -0.096 0.000 0.661 285 A CB -0.585 18.375 19.000 -0.068 0.000 0.801 285 A HN 0.527 nan 8.150 nan 0.000 0.452 286 A N -0.685 122.072 122.820 -0.105 0.000 2.095 286 A HA 0.308 4.628 4.320 -0.000 0.000 0.212 286 A C 1.895 179.415 177.584 -0.106 0.000 1.162 286 A CA 0.458 52.430 52.037 -0.109 0.000 0.753 286 A CB -0.384 18.570 19.000 -0.078 0.000 0.840 286 A HN 0.398 nan 8.150 nan 0.000 0.468 287 L N -0.151 121.016 121.223 -0.093 0.000 2.064 287 L HA -0.210 4.130 4.340 -0.000 0.000 0.216 287 L C -0.567 176.243 176.870 -0.099 0.000 1.077 287 L CA 1.862 56.650 54.840 -0.086 0.000 0.766 287 L CB -1.658 40.352 42.059 -0.081 0.000 0.890 287 L HN 0.222 nan 8.230 nan 0.000 0.435 288 P HA -0.205 nan 4.420 nan 0.000 0.219 288 P C 1.669 178.898 177.300 -0.117 0.000 1.144 288 P CA 1.429 64.443 63.100 -0.144 0.000 0.806 288 P CB 0.018 31.580 31.700 -0.230 0.000 0.771 289 L N -2.235 118.923 121.223 -0.109 0.000 2.341 289 L HA -0.056 4.283 4.340 -0.000 0.000 0.214 289 L C 2.219 179.054 176.870 -0.058 0.000 1.115 289 L CA 0.371 55.162 54.840 -0.081 0.000 0.820 289 L CB -0.722 41.291 42.059 -0.077 0.000 0.944 289 L HN -0.159 nan 8.230 nan 0.000 0.452 290 V N 1.135 121.015 119.914 -0.057 0.000 2.277 290 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 290 V C -0.089 175.978 176.094 -0.044 0.000 1.067 290 V CA 2.385 64.658 62.300 -0.045 0.000 1.047 290 V CB -1.828 29.967 31.823 -0.047 0.000 0.649 290 V HN 0.439 nan 8.190 nan 0.000 0.447 291 P HA -0.155 nan 4.420 nan 0.000 0.231 291 P C 1.212 178.488 177.300 -0.039 0.000 1.158 291 P CA 1.250 64.325 63.100 -0.042 0.000 0.763 291 P CB -0.013 31.664 31.700 -0.039 0.000 0.805 292 Q N -0.212 119.566 119.800 -0.038 0.000 2.319 292 Q HA 0.129 4.469 4.340 -0.000 0.000 0.209 292 Q C 0.827 176.810 176.000 -0.029 0.000 0.884 292 Q CA 0.091 55.876 55.803 -0.030 0.000 0.938 292 Q CB 0.790 29.514 28.738 -0.025 0.000 1.098 292 Q HN 0.203 nan 8.270 nan 0.000 0.517 293 V N -2.906 116.986 119.914 -0.037 0.000 2.732 293 V HA 0.383 4.503 4.120 -0.000 0.000 0.310 293 V C 0.847 176.883 176.094 -0.097 0.000 1.053 293 V CA -0.535 61.743 62.300 -0.036 0.000 0.957 293 V CB 1.970 33.790 31.823 -0.005 0.000 1.018 293 V HN -0.080 nan 8.190 nan 0.000 0.452 294 S N 2.137 117.749 115.700 -0.147 0.000 2.387 294 S HA 0.277 4.747 4.470 -0.000 0.000 0.226 294 S C 0.037 174.185 174.600 -0.753 0.000 1.026 294 S CA 1.223 59.160 58.200 -0.439 0.000 0.972 294 S CB -0.416 62.506 63.200 -0.463 0.000 0.814 294 S HN 0.699 nan 8.310 nan 0.000 0.477 295 F N -0.146 119.814 119.950 0.017 0.000 2.578 295 F HA 0.682 5.209 4.527 -0.000 0.000 0.311 295 F C -0.260 175.544 175.800 0.008 0.000 1.094 295 F CA -1.161 56.849 58.000 0.016 0.000 0.923 295 F CB 1.648 40.661 39.000 0.021 0.000 1.230 295 F HN -0.110 nan 8.300 nan 0.000 0.450 296 A N 1.463 124.396 122.820 0.188 0.000 2.311 296 A HA 0.570 4.890 4.320 -0.000 0.000 0.306 296 A C -1.498 176.153 177.584 0.112 0.000 1.189 296 A CA -0.473 51.628 52.037 0.108 0.000 0.791 296 A CB 0.825 19.861 19.000 0.060 0.000 1.172 296 A HN 0.631 nan 8.150 nan 0.000 0.481 297 D N 3.198 123.646 120.400 0.080 0.000 2.460 297 D HA 0.441 5.081 4.640 -0.000 0.000 0.268 297 D C -0.122 176.206 176.300 0.048 0.000 1.153 297 D CA -0.054 53.984 54.000 0.063 0.000 0.929 297 D CB 0.263 41.080 40.800 0.027 0.000 1.015 297 D HN 0.392 nan 8.370 nan 0.000 0.502 298 L N 1.892 123.170 121.223 0.092 0.000 3.014 298 L HA 0.224 4.564 4.340 -0.000 0.000 0.263 298 L C 0.985 177.936 176.870 0.134 0.000 1.207 298 L CA -0.176 54.731 54.840 0.110 0.000 1.017 298 L CB 0.548 42.694 42.059 0.145 0.000 1.360 298 L HN 0.125 nan 8.230 nan 0.000 0.560 299 D N -0.078 120.348 120.400 0.043 0.000 2.323 299 D HA -0.022 4.618 4.640 -0.000 0.000 0.239 299 D C 1.706 177.938 176.300 -0.114 0.000 1.129 299 D CA 0.423 54.272 54.000 -0.252 0.000 0.865 299 D CB 0.084 40.772 40.800 -0.186 0.000 0.913 299 D HN 0.166 nan 8.370 nan 0.000 0.517 300 G N 1.793 110.582 108.800 -0.019 0.000 2.556 300 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 300 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 300 G C -0.531 174.395 174.900 0.042 0.000 1.156 300 G CA 0.684 45.785 45.100 0.002 0.000 0.766 300 G HN 0.378 nan 8.290 nan 0.000 0.583 301 P HA -0.107 nan 4.420 nan 0.000 0.217 301 P C 2.234 179.454 177.300 -0.133 0.000 1.148 301 P CA 2.168 65.187 63.100 -0.135 0.000 0.828 301 P CB -0.383 31.272 31.700 -0.075 0.000 0.783 302 T N -5.623 108.760 114.554 -0.285 0.000 3.051 302 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 302 T C 1.203 175.846 174.700 -0.095 0.000 1.127 302 T CA 0.581 62.536 62.100 -0.242 0.000 1.107 302 T CB -1.173 67.432 68.868 -0.439 0.000 0.898 302 T HN 0.123 nan 8.240 nan 0.000 0.517 303 W N 1.481 122.728 121.300 -0.090 0.000 3.047 303 W HA 0.457 5.117 4.660 -0.001 0.000 0.250 303 W C 0.451 176.959 176.519 -0.018 0.000 1.314 303 W CA -0.707 56.635 57.345 -0.005 0.000 1.540 303 W CB -0.227 29.201 29.460 -0.053 0.000 1.127 303 W HN 0.206 nan 8.180 nan 0.000 0.679 304 L N 0.157 121.429 121.223 0.082 0.000 2.325 304 L HA 0.426 4.765 4.340 -0.000 0.000 0.279 304 L C 1.599 178.280 176.870 -0.316 0.000 1.054 304 L CA -0.541 54.274 54.840 -0.042 0.000 0.804 304 L CB 0.981 43.024 42.059 -0.026 0.000 1.200 304 L HN -0.122 nan 8.230 nan 0.000 0.436 305 A N 3.390 125.973 122.820 -0.395 0.000 1.917 305 A HA -0.024 4.295 4.320 -0.000 0.000 0.219 305 A C 0.835 178.275 177.584 -0.239 0.000 1.182 305 A CA 1.887 53.569 52.037 -0.591 0.000 0.633 305 A CB -0.334 18.534 19.000 -0.220 0.000 0.819 305 A HN 0.587 nan 8.150 nan 0.000 0.448 306 V N -4.226 115.679 119.914 -0.015 0.000 3.141 306 V HA 0.770 4.889 4.120 -0.000 0.000 0.312 306 V C -0.972 175.205 176.094 0.138 0.000 1.157 306 V CA -0.835 61.528 62.300 0.104 0.000 1.041 306 V CB 1.877 33.811 31.823 0.185 0.000 1.071 306 V HN 0.246 nan 8.190 nan 0.000 0.441 307 D N -0.507 119.955 120.400 0.104 0.000 2.714 307 D HA 0.646 5.286 4.640 -0.000 0.000 0.278 307 D C -0.098 176.212 176.300 0.017 0.000 1.102 307 D CA 0.050 53.993 54.000 -0.096 0.000 1.108 307 D CB 2.298 43.061 40.800 -0.061 0.000 1.444 307 D HN 0.890 nan 8.370 nan 0.000 0.568 308 V N -1.185 118.646 119.914 -0.139 0.000 3.611 308 V HA 0.405 4.525 4.120 -0.000 0.000 0.296 308 V C 0.124 176.282 176.094 0.107 0.000 1.091 308 V CA -0.174 62.179 62.300 0.089 0.000 1.103 308 V CB 0.380 32.218 31.823 0.025 0.000 1.157 308 V HN 0.582 nan 8.190 nan 0.000 0.471 309 E N 1.448 121.723 120.200 0.124 0.000 2.244 309 E HA 0.532 4.882 4.350 -0.000 0.000 0.260 309 E C -2.525 174.119 176.600 0.073 0.000 0.884 309 E CA -1.657 54.798 56.400 0.091 0.000 0.777 309 E CB 1.698 31.456 29.700 0.097 0.000 1.197 309 E HN 0.938 nan 8.360 nan 0.000 0.416 310 P HA 0.472 nan 4.420 nan 0.000 0.276 310 P C -1.207 176.115 177.300 0.036 0.000 1.252 310 P CA -0.554 62.571 63.100 0.041 0.000 0.802 310 P CB 1.525 33.242 31.700 0.028 0.000 1.035 311 A N 1.298 124.140 122.820 0.036 0.000 2.346 311 A HA 0.614 4.934 4.320 -0.000 0.000 0.313 311 A C -0.179 177.418 177.584 0.022 0.000 1.140 311 A CA -1.002 51.057 52.037 0.037 0.000 0.826 311 A CB 0.708 19.745 19.000 0.061 0.000 1.332 311 A HN 0.560 nan 8.150 nan 0.000 0.457 312 L N 0.983 122.216 121.223 0.017 0.000 2.417 312 L HA 0.227 4.566 4.340 -0.000 0.000 0.268 312 L C 0.036 176.837 176.870 -0.115 0.000 1.158 312 L CA -0.525 54.252 54.840 -0.106 0.000 0.819 312 L CB 0.628 42.546 42.059 -0.236 0.000 1.112 312 L HN 0.590 nan 8.230 nan 0.000 0.458 313 Q N 2.997 122.693 119.800 -0.174 0.000 2.322 313 Q HA 0.389 4.729 4.340 -0.000 0.000 0.256 313 Q C -1.122 174.786 176.000 -0.154 0.000 0.960 313 Q CA 0.181 55.951 55.803 -0.056 0.000 0.934 313 Q CB 1.015 29.768 28.738 0.025 0.000 1.200 313 Q HN 0.281 nan 8.270 nan 0.000 0.435 314 F N 0.941 120.925 119.950 0.057 0.000 2.482 314 F HA 0.432 4.959 4.527 0.000 0.000 0.331 314 F C 0.745 176.570 175.800 0.042 0.000 1.115 314 F CA -0.627 57.380 58.000 0.011 0.000 0.955 314 F CB 1.945 40.936 39.000 -0.015 0.000 1.136 314 F HN 0.289 nan 8.300 nan 0.000 0.452 315 T N -1.807 112.877 114.554 0.217 0.000 2.916 315 T HA 0.367 4.717 4.350 -0.000 0.000 0.292 315 T C -0.262 174.490 174.700 0.086 0.000 1.055 315 T CA -0.997 61.197 62.100 0.157 0.000 1.009 315 T CB 1.337 70.345 68.868 0.233 0.000 1.118 315 T HN 0.409 nan 8.240 nan 0.000 0.497 316 T N 2.168 116.743 114.554 0.035 0.000 2.609 316 T HA 0.337 4.687 4.350 -0.000 0.000 0.257 316 T C 1.609 176.309 174.700 -0.000 0.000 1.032 316 T CA 1.489 63.588 62.100 -0.002 0.000 1.244 316 T CB -0.967 67.885 68.868 -0.025 0.000 1.003 316 T HN 1.640 nan 8.240 nan 0.000 0.507 317 G N 3.435 112.242 108.800 0.013 0.000 2.162 317 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.260 317 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.260 317 G C -0.190 174.713 174.900 0.006 0.000 0.976 317 G CA 0.234 45.346 45.100 0.020 0.000 0.655 317 G HN 0.704 nan 8.290 nan 0.000 0.533 318 E N -1.131 119.060 120.200 -0.015 0.000 2.340 318 E HA 0.639 4.989 4.350 -0.000 0.000 0.273 318 E C -1.317 175.139 176.600 -0.240 0.000 0.891 318 E CA -1.140 55.161 56.400 -0.164 0.000 0.757 318 E CB 2.400 31.909 29.700 -0.318 0.000 1.231 318 E HN 0.259 nan 8.360 nan 0.000 0.439 319 L N 2.490 123.493 121.223 -0.366 0.000 2.342 319 L HA 0.314 4.654 4.340 -0.000 0.000 0.276 319 L C -1.362 175.187 176.870 -0.535 0.000 0.997 319 L CA -0.472 54.055 54.840 -0.523 0.000 0.838 319 L CB 0.732 42.569 42.059 -0.371 0.000 1.224 319 L HN 0.519 nan 8.230 nan 0.000 0.416 320 H N 6.543 125.461 119.070 -0.255 0.000 2.652 320 H HA 0.422 4.978 4.556 -0.000 0.000 0.298 320 H C -0.304 174.918 175.328 -0.175 0.000 1.076 320 H CA -0.225 55.723 56.048 -0.166 0.000 1.360 320 H CB 1.100 30.790 29.762 -0.121 0.000 1.421 320 H HN 0.590 nan 8.280 nan 0.000 0.464 321 L N 0.000 121.203 121.223 -0.034 0.000 2.949 321 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 321 L CA 0.000 54.806 54.840 -0.057 0.000 0.813 321 L CB 0.000 42.016 42.059 -0.071 0.000 0.961 321 L HN 0.000 nan 8.230 nan 0.000 0.502