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 3h3k_1_A DATA FIRST_RESID 7 DATA SEQUENCE KSIFYNQVGY LISGDKRFWI QAHEPQPFAL RTPEGQAVFA GMTKPVGGNW DATA SEQUENCE YVGDFTALRV PGTYTLTVGT LEARVVIHRR AYRDVLEAML RFFDYQLCGV DATA SEQUENCE VLPEDEAGPW AHGACHTSDA KVFGTERALA CPGGWHDAGD YGKYTVPAAK DATA SEQUENCE AVADLLLAHE YFPAALAHVR PMRSVHRAPH LPPALEVARE EIAWLLTMQD DATA SEQUENCE PATGGVYHKV TTPSFPPLDT RPEDDDAPLV LSPISYAATA TFCAAMAHAA DATA SEQUENCE LVYRPFDPAL SSCCADAARR AYAWLGAHEM QPFHNPDGIL TGEYGDAELR DATA SEQUENCE DELLWASCAL LRMTGDSAWA RVCEPLLDLD LPWELGWADV ALYGVMDYLR DATA SEQUENCE TPRAAVSDDV RNKVKSRLLR ELDALAAMAE SHPFGIPMRD DDFIWGSNMV DATA SEQUENCE LLNRAMAFLL AEGVGVLHPA AHTVAQRAAD YLFGANPLGQ CYVTGFGQRP DATA SEQUENCE VRHPHHRPSV ADDVDHPVPG MVVGGPNRHL QDEIARAQLA GRPAMEAYID DATA SEQUENCE HQDSYSTNEV AVYWNSPAVF VIAALLEA 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 7 K HA 0.000 nan 4.320 nan 0.000 0.191 7 K C 0.000 176.622 176.600 0.036 0.000 0.988 7 K CA 0.000 56.334 56.287 0.079 0.000 0.838 7 K CB 0.000 32.546 32.500 0.077 0.000 1.064 8 S N 0.950 116.654 115.700 0.006 0.000 2.671 8 S HA 0.648 5.099 4.470 -0.032 0.000 0.277 8 S C -0.606 173.897 174.600 -0.162 0.000 1.165 8 S CA -0.995 57.130 58.200 -0.125 0.000 0.822 8 S CB 1.057 64.114 63.200 -0.238 0.000 1.150 8 S HN 0.463 nan 8.310 nan 0.000 0.479 9 I N 1.328 121.837 120.570 -0.101 0.000 2.428 9 I HA 0.359 4.510 4.170 -0.032 0.000 0.289 9 I C -1.084 175.097 176.117 0.106 0.000 1.019 9 I CA -0.424 60.944 61.300 0.113 0.000 1.351 9 I CB 0.449 38.463 38.000 0.023 0.000 1.412 9 I HN 0.486 nan 8.210 nan 0.000 0.513 10 F N 6.683 127.031 119.950 0.664 0.000 2.427 10 F HA 0.548 5.056 4.527 -0.032 0.000 0.346 10 F C -0.082 176.214 175.800 0.826 0.000 1.120 10 F CA -0.568 57.798 58.000 0.610 0.000 1.033 10 F CB 0.937 40.254 39.000 0.527 0.000 1.126 10 F HN 0.361 nan 8.300 nan 0.000 0.462 11 Y N -0.038 120.598 120.300 0.561 0.000 2.725 11 Y HA 0.409 4.939 4.550 -0.032 0.000 0.333 11 Y C -1.164 174.976 175.900 0.400 0.000 1.242 11 Y CA -1.705 56.772 58.100 0.628 0.000 1.059 11 Y CB 0.851 39.663 38.460 0.587 0.000 1.306 11 Y HN 0.409 nan 8.280 nan 0.000 0.454 12 N N 1.819 120.763 118.700 0.406 0.000 2.400 12 N HA 0.051 4.772 4.740 -0.032 0.000 0.267 12 N C -0.028 175.455 175.510 -0.046 0.000 1.208 12 N CA 0.445 53.514 53.050 0.031 0.000 0.951 12 N CB 0.934 39.258 38.487 -0.271 0.000 1.227 12 N HN 0.866 nan 8.380 nan 0.000 0.488 13 Q N 1.857 121.522 119.800 -0.225 0.000 2.435 13 Q HA -0.003 4.318 4.340 -0.032 0.000 0.207 13 Q C 1.397 177.372 176.000 -0.040 0.000 0.956 13 Q CA 0.622 56.291 55.803 -0.224 0.000 0.917 13 Q CB 0.577 29.124 28.738 -0.319 0.000 0.997 13 Q HN 0.459 nan 8.270 nan 0.000 0.497 14 V N -0.768 119.094 119.914 -0.087 0.000 2.426 14 V HA 0.165 4.266 4.120 -0.032 0.000 0.242 14 V C 0.984 177.079 176.094 0.002 0.000 1.036 14 V CA 1.331 63.553 62.300 -0.130 0.000 1.044 14 V CB 0.426 31.923 31.823 -0.544 0.000 0.688 14 V HN 0.495 nan 8.190 nan 0.000 0.462 15 G N -1.839 106.977 108.800 0.027 0.000 2.356 15 G HA2 0.304 4.244 3.960 -0.032 0.000 0.288 15 G HA3 0.304 4.244 3.960 -0.032 0.000 0.288 15 G C -2.122 172.658 174.900 -0.199 0.000 1.302 15 G CA -0.713 44.377 45.100 -0.016 0.000 0.887 15 G HN -0.012 nan 8.290 nan 0.000 0.521 16 Y N -0.938 119.436 120.300 0.124 0.000 2.545 16 Y HA 0.694 5.224 4.550 -0.032 0.000 0.348 16 Y C 0.485 176.349 175.900 -0.059 0.000 1.002 16 Y CA -0.893 57.260 58.100 0.087 0.000 1.039 16 Y CB 2.112 40.646 38.460 0.124 0.000 1.271 16 Y HN 0.491 nan 8.280 nan 0.000 0.467 17 L N 3.265 124.537 121.223 0.081 0.000 2.371 17 L HA 0.266 4.587 4.340 -0.032 0.000 0.272 17 L C 1.290 178.183 176.870 0.038 0.000 1.124 17 L CA -0.133 54.706 54.840 -0.003 0.000 0.816 17 L CB 0.773 42.831 42.059 -0.003 0.000 1.129 17 L HN 0.786 nan 8.230 nan 0.000 0.448 18 I N 1.145 121.723 120.570 0.014 0.000 2.145 18 I HA -0.345 3.806 4.170 -0.032 0.000 0.244 18 I C 1.988 178.099 176.117 -0.010 0.000 1.075 18 I CA 2.046 63.348 61.300 0.004 0.000 1.332 18 I CB -0.082 37.907 38.000 -0.018 0.000 1.033 18 I HN 0.828 nan 8.210 nan 0.000 0.410 19 S N -0.545 115.147 115.700 -0.012 0.000 2.577 19 S HA 0.280 4.731 4.470 -0.032 0.000 0.219 19 S C 0.652 175.244 174.600 -0.014 0.000 0.962 19 S CA -0.192 57.998 58.200 -0.017 0.000 0.921 19 S CB -0.053 63.136 63.200 -0.019 0.000 0.789 19 S HN 0.341 nan 8.310 nan 0.000 0.497 20 G N 0.374 109.175 108.800 0.003 0.000 2.521 20 G HA2 0.515 4.455 3.960 -0.032 0.000 0.323 20 G HA3 0.515 4.455 3.960 -0.032 0.000 0.323 20 G C -1.201 173.694 174.900 -0.008 0.000 1.211 20 G CA -0.696 44.419 45.100 0.026 0.000 0.979 20 G HN 0.203 nan 8.290 nan 0.000 0.490 21 D N -0.301 120.106 120.400 0.011 0.000 2.414 21 D HA 0.335 4.956 4.640 -0.032 0.000 0.242 21 D C -0.006 176.245 176.300 -0.082 0.000 1.129 21 D CA 0.663 54.634 54.000 -0.049 0.000 0.885 21 D CB 0.659 41.457 40.800 -0.004 0.000 1.198 21 D HN 0.146 nan 8.370 nan 0.000 0.437 22 K N 2.710 122.883 120.400 -0.379 0.000 2.545 22 K HA 0.497 4.797 4.320 -0.032 0.000 0.252 22 K C -0.588 175.446 176.600 -0.942 0.000 0.948 22 K CA -0.787 54.944 56.287 -0.927 0.000 0.827 22 K CB 2.551 34.019 32.500 -1.721 0.000 1.128 22 K HN 0.272 nan 8.250 nan 0.000 0.429 23 R N 3.107 123.325 120.500 -0.471 0.000 2.698 23 R HA 0.516 4.837 4.340 -0.032 0.000 0.275 23 R C -1.522 174.786 176.300 0.013 0.000 1.001 23 R CA -0.687 55.191 56.100 -0.370 0.000 0.896 23 R CB 1.164 31.156 30.300 -0.513 0.000 1.218 23 R HN 0.560 nan 8.270 nan 0.000 0.462 24 F N 0.456 120.292 119.950 -0.189 0.000 2.620 24 F HA 0.768 5.275 4.527 -0.032 0.000 0.320 24 F C -1.529 174.198 175.800 -0.121 0.000 1.069 24 F CA -1.086 57.008 58.000 0.157 0.000 0.953 24 F CB 1.455 40.605 39.000 0.250 0.000 1.322 24 F HN 0.265 nan 8.300 nan 0.000 0.479 25 W N 3.336 124.937 121.300 0.502 0.000 2.844 25 W HA 0.729 5.369 4.660 -0.032 0.000 0.340 25 W C -1.004 175.991 176.519 0.792 0.000 1.093 25 W CA -1.046 56.546 57.345 0.412 0.000 1.212 25 W CB 2.330 31.934 29.460 0.240 0.000 1.422 25 W HN 0.731 nan 8.180 nan 0.000 0.515 26 I N -0.737 120.378 120.570 0.909 0.000 2.802 26 I HA 0.389 4.540 4.170 -0.032 0.000 0.298 26 I C -0.852 175.604 176.117 0.566 0.000 1.176 26 I CA -1.321 60.464 61.300 0.808 0.000 1.025 26 I CB 2.248 40.581 38.000 0.555 0.000 1.243 26 I HN 0.278 nan 8.210 nan 0.000 0.424 27 Q N 3.440 123.384 119.800 0.241 0.000 2.295 27 Q HA 0.724 5.045 4.340 -0.032 0.000 0.259 27 Q C -0.417 175.595 176.000 0.018 0.000 0.976 27 Q CA -0.379 55.330 55.803 -0.158 0.000 0.923 27 Q CB 1.625 30.127 28.738 -0.393 0.000 1.185 27 Q HN 0.825 nan 8.270 nan 0.000 0.410 28 A N 1.677 124.523 122.820 0.043 0.000 2.588 28 A HA 0.426 4.727 4.320 -0.032 0.000 0.290 28 A C -0.836 176.775 177.584 0.045 0.000 1.136 28 A CA -0.705 51.321 52.037 -0.019 0.000 0.681 28 A CB 1.036 19.906 19.000 -0.217 0.000 1.282 28 A HN 0.901 nan 8.150 nan 0.000 0.421 29 H N 0.087 119.063 119.070 -0.156 0.000 2.785 29 H HA 0.374 4.910 4.556 -0.032 0.000 0.268 29 H C -0.273 175.001 175.328 -0.090 0.000 1.153 29 H CA 0.814 56.843 56.048 -0.032 0.000 1.111 29 H CB 0.333 30.090 29.762 -0.009 0.000 1.633 29 H HN 0.805 nan 8.280 nan 0.000 0.576 30 E N -0.034 119.759 120.200 -0.678 0.000 2.416 30 E HA 0.429 4.760 4.350 -0.032 0.000 0.280 30 E C -3.397 172.763 176.600 -0.733 0.000 1.055 30 E CA -2.341 53.718 56.400 -0.569 0.000 0.825 30 E CB 1.491 30.896 29.700 -0.491 0.000 1.312 30 E HN -0.093 nan 8.360 nan 0.000 0.452 31 P HA 0.023 nan 4.420 nan 0.000 0.266 31 P C -1.168 176.083 177.300 -0.082 0.000 1.195 31 P CA 0.314 63.377 63.100 -0.063 0.000 0.768 31 P CB 0.381 32.137 31.700 0.093 0.000 0.838 32 Q N 3.661 123.466 119.800 0.009 0.000 2.397 32 Q HA 0.473 4.794 4.340 -0.032 0.000 0.275 32 Q C -2.522 173.568 176.000 0.149 0.000 1.090 32 Q CA -2.354 53.482 55.803 0.055 0.000 0.809 32 Q CB 2.045 30.821 28.738 0.064 0.000 1.362 32 Q HN 0.330 nan 8.270 nan 0.000 0.431 33 P HA 0.198 nan 4.420 nan 0.000 0.274 33 P C -1.174 176.235 177.300 0.181 0.000 1.237 33 P CA -0.058 63.074 63.100 0.053 0.000 0.793 33 P CB 0.395 32.079 31.700 -0.027 0.000 0.977 34 F N -1.528 118.469 119.950 0.077 0.000 2.645 34 F HA 0.843 5.351 4.527 -0.032 0.000 0.310 34 F C -1.804 174.016 175.800 0.033 0.000 1.102 34 F CA -1.541 56.501 58.000 0.070 0.000 0.952 34 F CB 1.084 40.199 39.000 0.191 0.000 1.326 34 F HN 0.490 nan 8.300 nan 0.000 0.456 35 A N 2.252 125.170 122.820 0.164 0.000 2.475 35 A HA 0.825 5.125 4.320 -0.032 0.000 0.301 35 A C -2.116 175.519 177.584 0.084 0.000 1.059 35 A CA -0.786 51.286 52.037 0.059 0.000 0.710 35 A CB 1.630 20.622 19.000 -0.013 0.000 1.288 35 A HN 0.796 nan 8.150 nan 0.000 0.408 36 L N 1.786 123.053 121.223 0.073 0.000 2.307 36 L HA 0.668 4.989 4.340 -0.032 0.000 0.284 36 L C 0.279 177.172 176.870 0.038 0.000 1.023 36 L CA 0.112 54.926 54.840 -0.043 0.000 0.810 36 L CB 1.619 43.540 42.059 -0.230 0.000 1.231 36 L HN 0.792 nan 8.230 nan 0.000 0.423 37 R N 0.406 120.965 120.500 0.098 0.000 2.686 37 R HA 0.596 4.917 4.340 -0.032 0.000 0.286 37 R C -0.429 176.011 176.300 0.233 0.000 0.969 37 R CA -0.909 55.273 56.100 0.137 0.000 0.898 37 R CB 1.773 32.106 30.300 0.055 0.000 1.183 37 R HN 0.681 nan 8.270 nan 0.000 0.456 38 T N -0.694 113.976 114.554 0.193 0.000 2.855 38 T HA 0.050 4.380 4.350 -0.032 0.000 0.322 38 T C -1.408 173.290 174.700 -0.003 0.000 1.088 38 T CA -1.061 61.070 62.100 0.051 0.000 1.104 38 T CB 0.400 69.287 68.868 0.031 0.000 0.996 38 T HN 0.366 nan 8.240 nan 0.000 0.549 39 P HA -0.107 nan 4.420 nan 0.000 0.222 39 P C 1.459 178.744 177.300 -0.025 0.000 1.147 39 P CA 0.970 64.043 63.100 -0.044 0.000 0.790 39 P CB 0.034 31.695 31.700 -0.064 0.000 0.780 40 E N 0.051 120.238 120.200 -0.021 0.000 2.106 40 E HA -0.079 4.252 4.350 -0.032 0.000 0.192 40 E C 1.573 178.170 176.600 -0.004 0.000 0.984 40 E CA 1.806 58.199 56.400 -0.011 0.000 0.806 40 E CB -0.988 28.706 29.700 -0.009 0.000 0.750 40 E HN 0.326 nan 8.360 nan 0.000 0.458 41 G N 0.861 109.663 108.800 0.004 0.000 2.613 41 G HA2 -0.215 3.725 3.960 -0.032 0.000 0.199 41 G HA3 -0.215 3.725 3.960 -0.032 0.000 0.199 41 G C 0.022 174.933 174.900 0.018 0.000 0.991 41 G CA -0.019 45.087 45.100 0.008 0.000 0.756 41 G HN 0.282 nan 8.290 nan 0.000 0.515 42 Q N 1.212 121.027 119.800 0.025 0.000 2.313 42 Q HA 0.636 4.956 4.340 -0.032 0.000 0.266 42 Q C 0.661 176.689 176.000 0.046 0.000 0.989 42 Q CA 0.437 56.256 55.803 0.028 0.000 0.890 42 Q CB 0.885 29.639 28.738 0.027 0.000 1.200 42 Q HN 0.743 nan 8.270 nan 0.000 0.396 43 A N 3.917 126.754 122.820 0.028 0.000 2.451 43 A HA 0.202 4.503 4.320 -0.032 0.000 0.266 43 A C 0.449 178.059 177.584 0.045 0.000 1.119 43 A CA -0.414 51.641 52.037 0.029 0.000 0.786 43 A CB 0.530 19.526 19.000 -0.008 0.000 1.061 43 A HN 0.759 nan 8.150 nan 0.000 0.503 44 V N 2.398 122.361 119.914 0.081 0.000 3.471 44 V HA 0.214 4.315 4.120 -0.032 0.000 0.258 44 V C 0.096 176.271 176.094 0.136 0.000 1.192 44 V CA 0.930 63.290 62.300 0.100 0.000 1.116 44 V CB -0.998 30.907 31.823 0.135 0.000 0.792 44 V HN 0.762 nan 8.190 nan 0.000 0.459 45 F N -0.298 119.608 119.950 -0.073 0.000 2.665 45 F HA 0.738 5.246 4.527 -0.032 0.000 0.308 45 F C -0.896 174.834 175.800 -0.117 0.000 1.112 45 F CA -0.438 57.515 58.000 -0.078 0.000 0.972 45 F CB 1.366 40.330 39.000 -0.060 0.000 1.295 45 F HN -0.146 nan 8.300 nan 0.000 0.440 46 A N 2.885 125.249 122.820 -0.759 0.000 2.549 46 A HA 0.945 5.245 4.320 -0.032 0.000 0.297 46 A C -0.989 176.037 177.584 -0.929 0.000 1.061 46 A CA -0.093 51.559 52.037 -0.641 0.000 0.690 46 A CB 1.564 20.323 19.000 -0.402 0.000 1.287 46 A HN 1.656 nan 8.150 nan 0.000 0.402 47 G N 0.425 108.590 108.800 -1.059 0.000 2.619 47 G HA2 0.585 4.525 3.960 -0.032 0.000 0.305 47 G HA3 0.585 4.525 3.960 -0.032 0.000 0.305 47 G C -1.513 172.979 174.900 -0.679 0.000 1.330 47 G CA -0.618 44.009 45.100 -0.788 0.000 0.789 47 G HN 0.564 nan 8.290 nan 0.000 0.487 48 M N 1.631 121.153 119.600 -0.129 0.000 2.383 48 M HA 0.393 4.854 4.480 -0.032 0.000 0.325 48 M C 0.642 177.167 176.300 0.376 0.000 1.092 48 M CA -0.611 54.762 55.300 0.122 0.000 0.961 48 M CB 1.455 34.087 32.600 0.053 0.000 1.672 48 M HN 0.847 nan 8.290 nan 0.000 0.438 49 T N 0.694 115.496 114.554 0.414 0.000 2.813 49 T HA 0.549 4.880 4.350 -0.032 0.000 0.297 49 T C -0.217 174.658 174.700 0.292 0.000 1.036 49 T CA -0.527 61.757 62.100 0.307 0.000 1.044 49 T CB 0.946 69.985 68.868 0.285 0.000 0.993 49 T HN 0.768 nan 8.240 nan 0.000 0.535 50 K N -0.053 120.474 120.400 0.212 0.000 2.527 50 K HA 0.573 4.873 4.320 -0.032 0.000 0.260 50 K C -3.349 173.049 176.600 -0.336 0.000 0.937 50 K CA -2.374 53.947 56.287 0.057 0.000 0.826 50 K CB 2.008 34.502 32.500 -0.010 0.000 1.359 50 K HN 0.316 nan 8.250 nan 0.000 0.434 51 P HA 0.006 nan 4.420 nan 0.000 0.275 51 P C 0.432 177.479 177.300 -0.422 0.000 1.227 51 P CA -0.485 62.006 63.100 -1.015 0.000 0.781 51 P CB 1.232 32.483 31.700 -0.748 0.000 0.906 52 V N -1.388 118.348 119.914 -0.297 0.000 3.337 52 V HA 0.597 4.698 4.120 -0.032 0.000 0.307 52 V C 0.468 176.533 176.094 -0.048 0.000 1.505 52 V CA 0.332 62.559 62.300 -0.123 0.000 1.072 52 V CB -0.340 31.439 31.823 -0.073 0.000 0.929 52 V HN 0.907 nan 8.190 nan 0.000 0.455 53 G N -0.711 108.066 108.800 -0.038 0.000 2.603 53 G HA2 0.407 4.347 3.960 -0.032 0.000 0.686 53 G HA3 0.407 4.347 3.960 -0.032 0.000 0.686 53 G C 0.586 175.557 174.900 0.118 0.000 1.286 53 G CA -0.070 45.041 45.100 0.017 0.000 0.871 53 G HN 2.164 nan 8.290 nan 0.000 0.568 54 G N 0.129 108.985 108.800 0.094 0.000 2.622 54 G HA2 -0.083 3.857 3.960 -0.032 0.000 0.307 54 G HA3 -0.083 3.857 3.960 -0.032 0.000 0.307 54 G C 0.566 175.491 174.900 0.042 0.000 1.226 54 G CA 1.325 46.495 45.100 0.116 0.000 0.997 54 G HN 2.592 nan 8.290 nan 0.000 0.551 55 N N -1.166 117.479 118.700 -0.091 0.000 2.660 55 N HA 0.501 5.222 4.740 -0.032 0.000 0.316 55 N C -0.814 174.526 175.510 -0.283 0.000 1.774 55 N CA -0.591 52.368 53.050 -0.152 0.000 0.946 55 N CB 0.451 38.831 38.487 -0.177 0.000 1.322 55 N HN 0.586 nan 8.380 nan 0.000 0.492 56 W N 0.371 121.715 121.300 0.073 0.000 2.666 56 W HA 0.501 5.142 4.660 -0.032 0.000 0.334 56 W C -0.599 175.958 176.519 0.063 0.000 1.051 56 W CA -0.781 56.618 57.345 0.089 0.000 1.224 56 W CB 1.137 30.563 29.460 -0.057 0.000 1.405 56 W HN 0.003 nan 8.180 nan 0.000 0.513 57 Y N 1.470 121.929 120.300 0.264 0.000 2.549 57 Y HA 0.618 5.149 4.550 -0.032 0.000 0.339 57 Y C 0.288 176.145 175.900 -0.072 0.000 1.053 57 Y CA -1.240 56.908 58.100 0.082 0.000 1.105 57 Y CB 1.888 40.385 38.460 0.062 0.000 1.258 57 Y HN 0.203 nan 8.280 nan 0.000 0.478 58 V N -0.605 119.184 119.914 -0.208 0.000 2.823 58 V HA 1.002 5.102 4.120 -0.032 0.000 0.312 58 V C -0.454 175.218 176.094 -0.703 0.000 1.072 58 V CA -0.835 61.061 62.300 -0.673 0.000 0.937 58 V CB 1.557 32.894 31.823 -0.809 0.000 1.013 58 V HN 0.882 nan 8.190 nan 0.000 0.430 59 G N 1.050 109.042 108.800 -1.347 0.000 2.544 59 G HA2 0.569 4.510 3.960 -0.032 0.000 0.313 59 G HA3 0.569 4.510 3.960 -0.032 0.000 0.313 59 G C -1.643 172.883 174.900 -0.623 0.000 1.316 59 G CA -0.418 43.979 45.100 -1.172 0.000 0.944 59 G HN 0.932 nan 8.290 nan 0.000 0.489 60 D N 1.403 121.750 120.400 -0.088 0.000 2.329 60 D HA 0.488 5.109 4.640 -0.032 0.000 0.232 60 D C 0.253 176.700 176.300 0.246 0.000 1.088 60 D CA -0.663 53.318 54.000 -0.032 0.000 0.835 60 D CB 0.659 41.437 40.800 -0.037 0.000 1.078 60 D HN 0.285 nan 8.370 nan 0.000 0.495 61 F N 1.276 121.136 119.950 -0.151 0.000 2.850 61 F HA 0.362 4.870 4.527 -0.032 0.000 0.329 61 F C 1.299 176.754 175.800 -0.574 0.000 1.182 61 F CA -0.722 56.954 58.000 -0.540 0.000 1.270 61 F CB -0.429 38.228 39.000 -0.573 0.000 0.979 61 F HN 0.110 nan 8.300 nan 0.000 0.506 62 T N 0.598 114.879 114.554 -0.454 0.000 2.699 62 T HA -0.245 4.085 4.350 -0.032 0.000 0.268 62 T C 2.175 176.735 174.700 -0.234 0.000 1.036 62 T CA 2.085 63.977 62.100 -0.346 0.000 1.147 62 T CB -0.305 68.448 68.868 -0.192 0.000 0.862 62 T HN 0.550 nan 8.240 nan 0.000 0.446 63 A N 0.495 123.217 122.820 -0.163 0.000 2.216 63 A HA 0.191 4.491 4.320 -0.032 0.000 0.214 63 A C 0.976 178.523 177.584 -0.062 0.000 1.160 63 A CA 0.154 52.172 52.037 -0.032 0.000 0.725 63 A CB -0.520 18.575 19.000 0.158 0.000 0.784 63 A HN 0.401 nan 8.150 nan 0.000 0.472 64 L N 0.743 121.810 121.223 -0.260 0.000 2.385 64 L HA 0.264 4.584 4.340 -0.032 0.000 0.281 64 L C 0.784 177.594 176.870 -0.100 0.000 1.106 64 L CA 0.159 54.889 54.840 -0.183 0.000 0.856 64 L CB 0.199 42.058 42.059 -0.333 0.000 1.186 64 L HN 0.131 nan 8.230 nan 0.000 0.453 65 R N 3.629 124.113 120.500 -0.027 0.000 2.437 65 R HA 0.284 4.605 4.340 -0.032 0.000 0.257 65 R C -0.472 175.849 176.300 0.036 0.000 0.927 65 R CA -0.060 56.039 56.100 -0.002 0.000 1.078 65 R CB 0.094 30.395 30.300 0.002 0.000 1.161 65 R HN 0.404 nan 8.270 nan 0.000 0.529 66 V N 5.466 125.425 119.914 0.074 0.000 2.432 66 V HA 0.207 4.308 4.120 -0.032 0.000 0.275 66 V C -1.900 174.322 176.094 0.213 0.000 1.043 66 V CA -1.696 60.681 62.300 0.129 0.000 0.925 66 V CB 1.511 33.433 31.823 0.166 0.000 0.985 66 V HN 0.019 nan 8.190 nan 0.000 0.466 67 P HA 0.497 nan 4.420 nan 0.000 0.271 67 P C 0.049 177.414 177.300 0.108 0.000 1.218 67 P CA 0.380 63.547 63.100 0.112 0.000 0.780 67 P CB 1.323 32.995 31.700 -0.046 0.000 0.901 68 G N 0.304 109.160 108.800 0.093 0.000 2.352 68 G HA2 0.219 4.160 3.960 -0.032 0.000 0.302 68 G HA3 0.219 4.160 3.960 -0.032 0.000 0.302 68 G C -1.495 173.288 174.900 -0.194 0.000 1.370 68 G CA -0.693 44.313 45.100 -0.157 0.000 0.918 68 G HN 0.440 nan 8.290 nan 0.000 0.610 69 T N 1.330 115.723 114.554 -0.267 0.000 2.728 69 T HA 0.598 4.928 4.350 -0.032 0.000 0.296 69 T C -0.856 173.656 174.700 -0.314 0.000 0.940 69 T CA 0.341 62.352 62.100 -0.148 0.000 1.013 69 T CB 0.276 69.105 68.868 -0.065 0.000 0.912 69 T HN 0.356 nan 8.240 nan 0.000 0.484 70 Y N 0.883 121.190 120.300 0.011 0.000 2.528 70 Y HA 0.451 4.982 4.550 -0.032 0.000 0.335 70 Y C 0.977 176.830 175.900 -0.079 0.000 1.093 70 Y CA -1.107 56.973 58.100 -0.034 0.000 1.134 70 Y CB 1.593 40.020 38.460 -0.055 0.000 1.253 70 Y HN 0.399 nan 8.280 nan 0.000 0.478 71 T N 3.940 118.541 114.554 0.079 0.000 2.753 71 T HA 0.290 4.621 4.350 -0.032 0.000 0.297 71 T C -0.874 173.772 174.700 -0.090 0.000 0.981 71 T CA -0.484 61.598 62.100 -0.030 0.000 0.956 71 T CB 0.200 69.052 68.868 -0.028 0.000 0.936 71 T HN 0.308 nan 8.240 nan 0.000 0.463 72 L N 5.351 126.445 121.223 -0.214 0.000 2.281 72 L HA 0.549 4.869 4.340 -0.032 0.000 0.285 72 L C 0.330 177.038 176.870 -0.269 0.000 1.074 72 L CA 0.157 54.796 54.840 -0.336 0.000 0.817 72 L CB 0.398 42.100 42.059 -0.594 0.000 1.168 72 L HN 0.730 nan 8.230 nan 0.000 0.434 73 T N 2.753 117.202 114.554 -0.175 0.000 2.848 73 T HA 0.704 5.035 4.350 -0.032 0.000 0.285 73 T C -0.789 173.880 174.700 -0.051 0.000 0.995 73 T CA -0.775 61.259 62.100 -0.110 0.000 0.970 73 T CB 1.495 70.332 68.868 -0.052 0.000 0.976 73 T HN 0.645 nan 8.240 nan 0.000 0.441 74 V N 3.032 122.920 119.914 -0.043 0.000 2.851 74 V HA 0.712 4.813 4.120 -0.032 0.000 0.307 74 V C 0.813 176.938 176.094 0.051 0.000 1.129 74 V CA 0.897 63.233 62.300 0.061 0.000 0.932 74 V CB 1.056 32.931 31.823 0.086 0.000 1.024 74 V HN 1.723 nan 8.190 nan 0.000 0.426 75 G N 5.377 114.217 108.800 0.066 0.000 2.660 75 G HA2 -0.364 3.577 3.960 -0.032 0.000 0.321 75 G HA3 -0.364 3.577 3.960 -0.032 0.000 0.321 75 G C 0.919 175.832 174.900 0.021 0.000 1.246 75 G CA 1.365 46.490 45.100 0.042 0.000 1.000 75 G HN 2.184 nan 8.290 nan 0.000 0.550 76 T N -0.810 113.753 114.554 0.015 0.000 3.134 76 T HA 0.648 4.978 4.350 -0.032 0.000 0.260 76 T C 0.804 175.501 174.700 -0.006 0.000 1.027 76 T CA 0.298 62.400 62.100 0.003 0.000 0.913 76 T CB -0.130 68.741 68.868 0.004 0.000 1.046 76 T HN 0.546 nan 8.240 nan 0.000 0.553 77 L N 1.265 122.483 121.223 -0.009 0.000 2.360 77 L HA 0.645 4.965 4.340 -0.032 0.000 0.271 77 L C 0.054 176.885 176.870 -0.065 0.000 1.057 77 L CA -0.847 53.976 54.840 -0.028 0.000 0.803 77 L CB 1.313 43.362 42.059 -0.016 0.000 1.207 77 L HN 0.233 nan 8.230 nan 0.000 0.445 78 E N 1.247 121.399 120.200 -0.080 0.000 2.293 78 E HA 0.746 5.077 4.350 -0.032 0.000 0.270 78 E C -1.283 175.228 176.600 -0.149 0.000 0.879 78 E CA -0.828 55.503 56.400 -0.116 0.000 0.756 78 E CB 2.645 32.298 29.700 -0.079 0.000 1.208 78 E HN 0.632 nan 8.360 nan 0.000 0.428 79 A N 2.102 124.779 122.820 -0.239 0.000 2.498 79 A HA 0.731 5.032 4.320 -0.032 0.000 0.298 79 A C -1.030 176.376 177.584 -0.297 0.000 1.075 79 A CA -0.761 51.077 52.037 -0.331 0.000 0.714 79 A CB 1.665 20.270 19.000 -0.659 0.000 1.299 79 A HN 0.446 nan 8.150 nan 0.000 0.407 80 R N 0.484 120.857 120.500 -0.212 0.000 2.229 80 R HA 0.545 4.866 4.340 -0.032 0.000 0.332 80 R C -0.876 175.418 176.300 -0.011 0.000 0.989 80 R CA -0.154 55.901 56.100 -0.076 0.000 0.842 80 R CB 0.919 31.225 30.300 0.010 0.000 1.119 80 R HN 1.064 nan 8.270 nan 0.000 0.456 81 V N 2.806 122.748 119.914 0.046 0.000 2.604 81 V HA 0.767 4.868 4.120 -0.032 0.000 0.305 81 V C -0.552 175.736 176.094 0.324 0.000 1.043 81 V CA -1.023 61.428 62.300 0.252 0.000 0.888 81 V CB 1.774 33.751 31.823 0.257 0.000 0.995 81 V HN 0.467 nan 8.190 nan 0.000 0.429 82 V N 5.623 125.760 119.914 0.372 0.000 2.483 82 V HA 0.719 4.820 4.120 -0.032 0.000 0.295 82 V C -0.488 175.848 176.094 0.403 0.000 1.035 82 V CA -0.478 62.008 62.300 0.310 0.000 0.896 82 V CB 1.320 33.252 31.823 0.182 0.000 0.986 82 V HN 0.883 nan 8.190 nan 0.000 0.447 83 I N 6.766 127.566 120.570 0.382 0.000 2.433 83 I HA 0.609 4.759 4.170 -0.032 0.000 0.292 83 I C -0.623 175.647 176.117 0.256 0.000 1.001 83 I CA -0.483 61.018 61.300 0.334 0.000 1.119 83 I CB 1.542 39.744 38.000 0.336 0.000 1.289 83 I HN 0.784 nan 8.210 nan 0.000 0.438 84 H N 5.571 124.673 119.070 0.053 0.000 3.079 84 H HA 0.295 4.831 4.556 -0.032 0.000 0.356 84 H C 0.226 175.521 175.328 -0.054 0.000 1.221 84 H CA -0.591 55.453 56.048 -0.006 0.000 1.185 84 H CB 2.464 32.205 29.762 -0.035 0.000 1.882 84 H HN 0.611 nan 8.280 nan 0.000 0.543 85 R N 1.731 122.068 120.500 -0.271 0.000 2.134 85 R HA -0.114 4.207 4.340 -0.032 0.000 0.248 85 R C 0.196 176.505 176.300 0.016 0.000 1.143 85 R CA 1.823 57.846 56.100 -0.128 0.000 0.957 85 R CB 0.205 30.368 30.300 -0.230 0.000 0.867 85 R HN 0.455 nan 8.270 nan 0.000 0.441 86 R N -1.298 119.334 120.500 0.220 0.000 2.681 86 R HA 0.244 4.565 4.340 -0.032 0.000 0.277 86 R C 0.279 176.549 176.300 -0.050 0.000 1.563 86 R CA 0.016 56.143 56.100 0.045 0.000 1.673 86 R CB 1.494 31.785 30.300 -0.016 0.000 1.258 86 R HN 0.181 nan 8.270 nan 0.000 0.650 87 A N 0.487 123.177 122.820 -0.216 0.000 1.978 87 A HA -0.182 4.119 4.320 -0.032 0.000 0.220 87 A C 0.751 178.092 177.584 -0.404 0.000 1.170 87 A CA 1.373 53.161 52.037 -0.415 0.000 0.636 87 A CB -0.232 18.395 19.000 -0.621 0.000 0.810 87 A HN 0.518 nan 8.150 nan 0.000 0.448 88 Y N -1.264 119.006 120.300 -0.050 0.000 2.524 88 Y HA 0.276 4.807 4.550 -0.032 0.000 0.266 88 Y C 1.886 177.730 175.900 -0.094 0.000 1.180 88 Y CA -0.566 57.477 58.100 -0.095 0.000 1.244 88 Y CB -0.433 38.018 38.460 -0.015 0.000 1.125 88 Y HN 0.271 nan 8.280 nan 0.000 0.524 89 R N 0.747 121.253 120.500 0.010 0.000 2.066 89 R HA -0.148 4.173 4.340 -0.032 0.000 0.232 89 R C 0.983 177.298 176.300 0.025 0.000 1.131 89 R CA 1.956 58.069 56.100 0.021 0.000 0.955 89 R CB -0.020 30.276 30.300 -0.008 0.000 0.851 89 R HN 0.272 nan 8.270 nan 0.000 0.432 90 D N -0.019 120.389 120.400 0.014 0.000 2.104 90 D HA -0.155 4.466 4.640 -0.032 0.000 0.194 90 D C 1.785 178.090 176.300 0.009 0.000 0.994 90 D CA 1.008 55.063 54.000 0.092 0.000 0.830 90 D CB -0.345 40.578 40.800 0.205 0.000 0.959 90 D HN 0.071 nan 8.370 nan 0.000 0.452 91 V N 0.484 120.203 119.914 -0.325 0.000 2.427 91 V HA -0.151 3.950 4.120 -0.032 0.000 0.248 91 V C 2.238 178.146 176.094 -0.309 0.000 1.051 91 V CA 1.051 62.841 62.300 -0.850 0.000 1.048 91 V CB -0.237 30.886 31.823 -1.167 0.000 0.666 91 V HN 0.101 nan 8.190 nan 0.000 0.456 92 L N 0.719 121.883 121.223 -0.098 0.000 2.046 92 L HA -0.182 4.138 4.340 -0.032 0.000 0.208 92 L C 2.423 179.333 176.870 0.067 0.000 1.077 92 L CA 2.773 57.625 54.840 0.020 0.000 0.747 92 L CB -0.931 41.167 42.059 0.064 0.000 0.896 92 L HN 0.582 nan 8.230 nan 0.000 0.432 93 E N -0.560 119.686 120.200 0.076 0.000 2.058 93 E HA -0.254 4.077 4.350 -0.032 0.000 0.194 93 E C 2.085 178.779 176.600 0.158 0.000 0.997 93 E CA 1.313 57.786 56.400 0.121 0.000 0.801 93 E CB -0.241 29.534 29.700 0.124 0.000 0.746 93 E HN 0.604 nan 8.360 nan 0.000 0.450 94 A N 0.716 123.633 122.820 0.163 0.000 1.902 94 A HA -0.187 4.114 4.320 -0.032 0.000 0.217 94 A C 2.208 179.902 177.584 0.184 0.000 1.181 94 A CA 1.758 53.931 52.037 0.227 0.000 0.623 94 A CB -0.518 18.703 19.000 0.369 0.000 0.818 94 A HN 0.344 nan 8.150 nan 0.000 0.443 95 M N -1.496 118.170 119.600 0.108 0.000 2.175 95 M HA -0.073 4.387 4.480 -0.032 0.000 0.264 95 M C 2.112 178.578 176.300 0.277 0.000 1.063 95 M CA 1.202 56.578 55.300 0.126 0.000 1.119 95 M CB -0.231 32.422 32.600 0.088 0.000 1.377 95 M HN 0.453 nan 8.290 nan 0.000 0.415 96 L N 0.076 121.470 121.223 0.286 0.000 2.131 96 L HA -0.069 4.251 4.340 -0.032 0.000 0.206 96 L C 2.301 179.393 176.870 0.369 0.000 1.087 96 L CA 1.706 56.767 54.840 0.368 0.000 0.767 96 L CB -0.342 41.845 42.059 0.213 0.000 0.917 96 L HN 0.104 nan 8.230 nan 0.000 0.441 97 R N -1.589 119.079 120.500 0.281 0.000 2.152 97 R HA -0.179 4.142 4.340 -0.032 0.000 0.232 97 R C 2.124 178.618 176.300 0.323 0.000 1.117 97 R CA 1.349 57.601 56.100 0.254 0.000 0.981 97 R CB -0.553 29.893 30.300 0.243 0.000 0.870 97 R HN 0.343 nan 8.270 nan 0.000 0.451 98 F N 1.015 121.051 119.950 0.144 0.000 2.115 98 F HA -0.259 4.248 4.527 -0.032 0.000 0.300 98 F C 1.455 177.161 175.800 -0.156 0.000 1.092 98 F CA 1.385 59.369 58.000 -0.026 0.000 1.245 98 F CB -0.435 38.385 39.000 -0.300 0.000 0.995 98 F HN -0.128 nan 8.300 nan 0.000 0.481 99 F N 0.948 120.684 119.950 -0.357 0.000 2.095 99 F HA -0.227 4.281 4.527 -0.032 0.000 0.298 99 F C 2.419 177.982 175.800 -0.395 0.000 1.104 99 F CA 1.834 59.367 58.000 -0.778 0.000 1.232 99 F CB -0.969 37.560 39.000 -0.784 0.000 0.987 99 F HN -0.035 nan 8.300 nan 0.000 0.475 100 D N -1.038 119.418 120.400 0.093 0.000 2.117 100 D HA -0.189 4.431 4.640 -0.032 0.000 0.198 100 D C 2.099 178.391 176.300 -0.014 0.000 0.982 100 D CA 1.268 55.324 54.000 0.093 0.000 0.828 100 D CB -0.721 40.115 40.800 0.060 0.000 0.967 100 D HN 0.252 nan 8.370 nan 0.000 0.464 101 Y N 1.182 121.480 120.300 -0.003 0.000 2.298 101 Y HA -0.139 4.391 4.550 -0.032 0.000 0.287 101 Y C 2.267 178.186 175.900 0.032 0.000 1.164 101 Y CA 0.999 59.117 58.100 0.031 0.000 1.229 101 Y CB -0.085 38.396 38.460 0.034 0.000 0.977 101 Y HN 0.007 nan 8.280 nan 0.000 0.538 102 Q N -0.092 119.689 119.800 -0.031 0.000 2.403 102 Q HA 0.100 4.421 4.340 -0.032 0.000 0.203 102 Q C 0.324 176.309 176.000 -0.024 0.000 0.932 102 Q CA 0.126 55.908 55.803 -0.036 0.000 0.945 102 Q CB -0.035 28.464 28.738 -0.398 0.000 1.045 102 Q HN 0.431 nan 8.270 nan 0.000 0.511 103 L N 0.607 121.877 121.223 0.078 0.000 2.525 103 L HA -0.064 4.256 4.340 -0.032 0.000 0.278 103 L C 0.311 177.077 176.870 -0.174 0.000 1.218 103 L CA -0.032 54.831 54.840 0.038 0.000 0.878 103 L CB 0.292 42.391 42.059 0.066 0.000 1.127 103 L HN 0.109 nan 8.230 nan 0.000 0.492 104 C N 3.261 122.390 119.300 -0.286 0.000 2.382 104 C HA 0.690 5.130 4.460 -0.032 0.000 0.327 104 C C 1.131 176.098 174.990 -0.039 0.000 1.250 104 C CA 0.275 59.157 59.018 -0.226 0.000 1.707 104 C CB 0.110 27.649 27.740 -0.335 0.000 2.272 104 C HN 1.073 nan 8.230 nan 0.000 0.506 105 G N 3.779 112.620 108.800 0.070 0.000 2.147 105 G HA2 -0.065 3.875 3.960 -0.032 0.000 0.244 105 G HA3 -0.065 3.875 3.960 -0.032 0.000 0.244 105 G C -0.212 174.701 174.900 0.022 0.000 1.005 105 G CA 0.657 45.786 45.100 0.049 0.000 0.713 105 G HN 2.121 nan 8.290 nan 0.000 0.515 106 V N -3.214 116.711 119.914 0.018 0.000 2.841 106 V HA 0.824 4.925 4.120 -0.032 0.000 0.310 106 V C 0.417 176.471 176.094 -0.067 0.000 1.090 106 V CA -1.211 61.073 62.300 -0.026 0.000 0.930 106 V CB 2.184 33.978 31.823 -0.048 0.000 1.014 106 V HN 0.672 nan 8.190 nan 0.000 0.425 107 V N 5.388 125.256 119.914 -0.076 0.000 2.485 107 V HA 0.183 4.283 4.120 -0.032 0.000 0.287 107 V C 0.360 176.346 176.094 -0.179 0.000 1.022 107 V CA 0.228 62.458 62.300 -0.116 0.000 1.067 107 V CB 0.615 32.397 31.823 -0.067 0.000 0.967 107 V HN 0.726 nan 8.190 nan 0.000 0.479 108 L N 9.083 130.129 121.223 -0.295 0.000 2.262 108 L HA 0.415 4.736 4.340 -0.032 0.000 0.288 108 L C -2.056 174.733 176.870 -0.135 0.000 1.035 108 L CA -1.639 53.057 54.840 -0.240 0.000 0.820 108 L CB 1.560 43.435 42.059 -0.306 0.000 1.204 108 L HN 0.454 nan 8.230 nan 0.000 0.424 109 P HA 0.068 nan 4.420 nan 0.000 0.276 109 P C 0.243 177.536 177.300 -0.011 0.000 1.244 109 P CA -0.436 62.638 63.100 -0.043 0.000 0.801 109 P CB 1.348 33.024 31.700 -0.040 0.000 1.006 110 E N 1.087 121.290 120.200 0.005 0.000 2.153 110 E HA -0.233 4.097 4.350 -0.032 0.000 0.194 110 E C 1.057 177.674 176.600 0.028 0.000 0.988 110 E CA 1.485 57.899 56.400 0.024 0.000 0.811 110 E CB -0.151 29.554 29.700 0.008 0.000 0.746 110 E HN 0.457 nan 8.360 nan 0.000 0.466 111 D N 0.024 120.431 120.400 0.013 0.000 2.264 111 D HA -0.182 4.438 4.640 -0.032 0.000 0.208 111 D C 1.438 177.750 176.300 0.021 0.000 0.966 111 D CA 0.902 54.911 54.000 0.016 0.000 0.864 111 D CB -0.116 40.688 40.800 0.007 0.000 0.933 111 D HN 0.222 nan 8.370 nan 0.000 0.499 112 E N -0.024 120.180 120.200 0.007 0.000 2.162 112 E HA 0.220 4.551 4.350 -0.032 0.000 0.193 112 E C 1.592 178.201 176.600 0.014 0.000 0.953 112 E CA 0.916 57.309 56.400 -0.011 0.000 0.849 112 E CB 0.159 29.817 29.700 -0.071 0.000 0.810 112 E HN 0.382 nan 8.360 nan 0.000 0.470 113 A N 0.705 123.558 122.820 0.056 0.000 2.390 113 A HA 0.463 4.763 4.320 -0.032 0.000 0.232 113 A C 1.301 179.154 177.584 0.448 0.000 1.233 113 A CA 0.818 52.983 52.037 0.214 0.000 0.907 113 A CB -0.076 19.014 19.000 0.151 0.000 0.967 113 A HN 0.219 nan 8.150 nan 0.000 0.512 114 G N 0.851 109.793 108.800 0.236 0.000 2.652 114 G HA2 -0.342 3.599 3.960 -0.032 0.000 0.318 114 G HA3 -0.342 3.599 3.960 -0.032 0.000 0.318 114 G C -0.840 174.048 174.900 -0.020 0.000 1.295 114 G CA 0.665 45.834 45.100 0.115 0.000 0.999 114 G HN 0.291 nan 8.290 nan 0.000 0.548 115 P HA -0.021 nan 4.420 nan 0.000 0.221 115 P C 1.174 178.203 177.300 -0.453 0.000 1.145 115 P CA 1.959 64.704 63.100 -0.592 0.000 0.795 115 P CB -0.038 30.946 31.700 -1.194 0.000 0.775 116 W N -0.857 120.554 121.300 0.186 0.000 3.316 116 W HA 0.482 5.123 4.660 -0.032 0.000 0.327 116 W C 0.587 177.279 176.519 0.287 0.000 1.232 116 W CA -0.737 56.756 57.345 0.247 0.000 1.805 116 W CB -0.652 28.979 29.460 0.286 0.000 1.090 116 W HN -0.129 nan 8.180 nan 0.000 0.654 117 A N 1.934 124.941 122.820 0.311 0.000 2.555 117 A HA 0.214 4.515 4.320 -0.032 0.000 0.233 117 A C -0.090 177.613 177.584 0.199 0.000 1.060 117 A CA 1.038 53.178 52.037 0.172 0.000 0.759 117 A CB -0.344 18.703 19.000 0.079 0.000 0.995 117 A HN 0.561 nan 8.150 nan 0.000 0.506 118 H N -1.603 117.527 119.070 0.100 0.000 3.003 118 H HA 0.635 5.172 4.556 -0.032 0.000 0.327 118 H C -0.053 175.295 175.328 0.033 0.000 1.353 118 H CA -0.333 55.753 56.048 0.063 0.000 1.142 118 H CB 0.341 30.148 29.762 0.076 0.000 1.864 118 H HN 0.858 nan 8.280 nan 0.000 0.529 119 G N -0.147 108.761 108.800 0.181 0.000 2.599 119 G HA2 0.485 4.426 3.960 -0.032 0.000 0.264 119 G HA3 0.485 4.426 3.960 -0.032 0.000 0.264 119 G C -0.118 174.894 174.900 0.186 0.000 1.200 119 G CA -0.502 44.658 45.100 0.100 0.000 0.896 119 G HN 0.979 nan 8.290 nan 0.000 0.536 120 A N -0.748 122.120 122.820 0.079 0.000 2.548 120 A HA 0.395 4.695 4.320 -0.032 0.000 0.247 120 A C 0.958 178.579 177.584 0.062 0.000 1.067 120 A CA 0.330 52.415 52.037 0.079 0.000 0.757 120 A CB -1.044 17.974 19.000 0.029 0.000 0.996 120 A HN 1.492 nan 8.150 nan 0.000 0.504 121 C N 0.745 120.090 119.300 0.075 0.000 2.401 121 C HA 0.795 5.235 4.460 -0.032 0.000 0.356 121 C C 0.466 175.433 174.990 -0.039 0.000 1.192 121 C CA -0.681 58.272 59.018 -0.108 0.000 2.028 121 C CB -0.053 27.546 27.740 -0.236 0.000 2.344 121 C HN 1.078 nan 8.230 nan 0.000 0.525 122 H N -0.276 118.775 119.070 -0.031 0.000 2.692 122 H HA -0.161 4.376 4.556 -0.032 0.000 0.316 122 H C 1.243 176.567 175.328 -0.007 0.000 1.176 122 H CA 0.868 56.904 56.048 -0.019 0.000 1.142 122 H CB -1.872 27.888 29.762 -0.003 0.000 1.475 122 H HN 1.025 nan 8.280 nan 0.000 0.423 123 T N -3.603 110.977 114.554 0.042 0.000 3.088 123 T HA 0.000 4.331 4.350 -0.032 0.000 0.259 123 T C 1.309 176.026 174.700 0.028 0.000 1.122 123 T CA 0.224 62.344 62.100 0.033 0.000 1.095 123 T CB 0.183 69.056 68.868 0.009 0.000 0.930 123 T HN 0.548 nan 8.240 nan 0.000 0.508 124 S N 1.516 117.233 115.700 0.029 0.000 2.593 124 S HA 0.237 4.688 4.470 -0.032 0.000 0.269 124 S C -0.460 174.153 174.600 0.021 0.000 1.334 124 S CA -0.879 57.334 58.200 0.020 0.000 1.015 124 S CB 0.374 63.585 63.200 0.017 0.000 0.912 124 S HN 0.220 nan 8.310 nan 0.000 0.541 125 D N 1.393 121.798 120.400 0.007 0.000 2.382 125 D HA 0.485 5.106 4.640 -0.032 0.000 0.245 125 D C 0.266 176.561 176.300 -0.009 0.000 1.120 125 D CA 0.278 54.276 54.000 -0.004 0.000 0.890 125 D CB 0.978 41.770 40.800 -0.013 0.000 1.201 125 D HN 0.824 nan 8.370 nan 0.000 0.433 126 A N 2.595 125.400 122.820 -0.025 0.000 2.304 126 A HA 0.337 4.638 4.320 -0.032 0.000 0.301 126 A C 0.230 177.779 177.584 -0.058 0.000 1.132 126 A CA -0.578 51.437 52.037 -0.037 0.000 0.819 126 A CB 0.669 19.637 19.000 -0.053 0.000 1.094 126 A HN 0.382 nan 8.150 nan 0.000 0.492 127 K N 1.352 121.727 120.400 -0.041 0.000 2.183 127 K HA 0.409 4.709 4.320 -0.032 0.000 0.274 127 K C -0.739 175.831 176.600 -0.049 0.000 1.009 127 K CA -0.526 55.735 56.287 -0.044 0.000 0.888 127 K CB 1.648 34.133 32.500 -0.025 0.000 1.078 127 K HN 0.465 nan 8.250 nan 0.000 0.459 128 V N 4.399 124.270 119.914 -0.072 0.000 2.585 128 V HA -0.041 4.060 4.120 -0.032 0.000 0.296 128 V C 0.305 176.436 176.094 0.062 0.000 1.035 128 V CA -0.114 62.159 62.300 -0.045 0.000 1.084 128 V CB -0.226 31.578 31.823 -0.031 0.000 0.953 128 V HN 0.548 nan 8.190 nan 0.000 0.483 129 F N 4.433 124.392 119.950 0.016 0.000 2.578 129 F HA 0.476 4.983 4.527 -0.032 0.000 0.376 129 F C 1.272 177.101 175.800 0.048 0.000 1.085 129 F CA 0.938 58.962 58.000 0.040 0.000 1.260 129 F CB 0.441 39.484 39.000 0.072 0.000 1.095 129 F HN 0.822 nan 8.300 nan 0.000 0.573 130 G N 3.181 111.516 108.800 -0.776 0.000 2.160 130 G HA2 -0.201 3.740 3.960 -0.032 0.000 0.251 130 G HA3 -0.201 3.740 3.960 -0.032 0.000 0.251 130 G C 0.031 174.818 174.900 -0.189 0.000 1.008 130 G CA 0.491 45.293 45.100 -0.498 0.000 0.724 130 G HN 1.325 nan 8.290 nan 0.000 0.514 131 T N -4.444 110.027 114.554 -0.140 0.000 2.812 131 T HA 0.693 5.024 4.350 -0.032 0.000 0.294 131 T C 0.518 175.178 174.700 -0.066 0.000 1.159 131 T CA 0.054 62.114 62.100 -0.067 0.000 1.008 131 T CB 1.896 70.757 68.868 -0.013 0.000 1.289 131 T HN -0.108 nan 8.240 nan 0.000 0.514 132 E N -0.051 120.123 120.200 -0.043 0.000 2.474 132 E HA 0.148 4.479 4.350 -0.032 0.000 0.194 132 E C 0.524 177.107 176.600 -0.028 0.000 1.041 132 E CA -0.080 56.297 56.400 -0.037 0.000 0.874 132 E CB 0.151 29.833 29.700 -0.029 0.000 0.914 132 E HN 0.496 nan 8.360 nan 0.000 0.498 133 R N 1.027 121.513 120.500 -0.023 0.000 2.623 133 R HA 0.299 4.620 4.340 -0.032 0.000 0.271 133 R C 0.098 176.377 176.300 -0.034 0.000 1.043 133 R CA 0.193 56.281 56.100 -0.021 0.000 1.083 133 R CB 0.560 30.855 30.300 -0.008 0.000 0.974 133 R HN -0.020 nan 8.270 nan 0.000 0.436 134 A N 3.197 125.996 122.820 -0.034 0.000 2.330 134 A HA 0.752 5.052 4.320 -0.032 0.000 0.329 134 A C -1.088 176.464 177.584 -0.054 0.000 1.135 134 A CA -0.700 51.311 52.037 -0.043 0.000 0.817 134 A CB 1.366 20.348 19.000 -0.030 0.000 1.269 134 A HN 0.625 nan 8.150 nan 0.000 0.469 135 L N 0.446 121.628 121.223 -0.069 0.000 2.526 135 L HA 0.663 4.984 4.340 -0.032 0.000 0.263 135 L C -0.273 176.561 176.870 -0.061 0.000 0.943 135 L CA -0.549 54.243 54.840 -0.080 0.000 0.859 135 L CB 1.961 43.931 42.059 -0.149 0.000 1.313 135 L HN 0.912 nan 8.230 nan 0.000 0.406 136 A N 2.906 125.703 122.820 -0.039 0.000 2.276 136 A HA 0.586 4.886 4.320 -0.032 0.000 0.300 136 A C -0.178 177.400 177.584 -0.010 0.000 1.235 136 A CA -0.338 51.690 52.037 -0.015 0.000 0.867 136 A CB -0.080 18.916 19.000 -0.006 0.000 1.137 136 A HN 0.832 nan 8.150 nan 0.000 0.527 137 C N 2.176 121.495 119.300 0.031 0.000 3.498 137 C HA 0.561 5.002 4.460 -0.032 0.000 0.218 137 C C -2.377 172.752 174.990 0.231 0.000 1.284 137 C CA -1.761 57.316 59.018 0.098 0.000 1.343 137 C CB -0.473 27.303 27.740 0.060 0.000 1.825 137 C HN 0.684 nan 8.230 nan 0.000 0.518 138 P HA 0.651 nan 4.420 nan 0.000 0.278 138 P C 0.619 178.003 177.300 0.139 0.000 1.266 138 P CA 1.099 64.268 63.100 0.114 0.000 0.807 138 P CB 1.196 32.932 31.700 0.060 0.000 1.094 139 G N -1.182 107.620 108.800 0.003 0.000 2.627 139 G HA2 0.362 4.303 3.960 -0.032 0.000 0.214 139 G HA3 0.362 4.303 3.960 -0.032 0.000 0.214 139 G C 0.031 174.756 174.900 -0.292 0.000 1.331 139 G CA 0.164 45.227 45.100 -0.061 0.000 0.891 139 G HN 1.151 nan 8.290 nan 0.000 0.539 140 G N -2.217 106.400 108.800 -0.305 0.000 2.642 140 G HA2 0.140 4.081 3.960 -0.032 0.000 0.231 140 G HA3 0.140 4.081 3.960 -0.032 0.000 0.231 140 G C -0.154 174.412 174.900 -0.555 0.000 1.338 140 G CA 0.617 45.346 45.100 -0.619 0.000 0.883 140 G HN 1.844 nan 8.290 nan 0.000 0.570 141 W N 0.532 121.575 121.300 -0.428 0.000 2.666 141 W HA 0.565 5.205 4.660 -0.032 0.000 0.334 141 W C 0.488 176.810 176.519 -0.328 0.000 1.051 141 W CA -1.169 55.983 57.345 -0.321 0.000 1.224 141 W CB 0.412 29.795 29.460 -0.129 0.000 1.405 141 W HN 0.682 nan 8.180 nan 0.000 0.513 142 H N 1.235 120.369 119.070 0.106 0.000 3.004 142 H HA -0.082 4.455 4.556 -0.032 0.000 0.316 142 H C 1.056 176.449 175.328 0.109 0.000 1.014 142 H CA 0.446 56.553 56.048 0.098 0.000 1.454 142 H CB 1.270 31.169 29.762 0.230 0.000 1.472 142 H HN 0.398 nan 8.280 nan 0.000 0.571 143 D N 2.720 123.279 120.400 0.265 0.000 2.117 143 D HA -0.087 4.534 4.640 -0.032 0.000 0.197 143 D C 0.817 177.195 176.300 0.129 0.000 0.987 143 D CA 1.621 55.765 54.000 0.240 0.000 0.829 143 D CB 0.394 41.437 40.800 0.404 0.000 0.961 143 D HN 0.634 nan 8.370 nan 0.000 0.460 144 A N -1.747 121.169 122.820 0.160 0.000 5.139 144 A HA 0.561 4.862 4.320 -0.032 0.000 0.164 144 A C 1.419 179.128 177.584 0.208 0.000 0.803 144 A CA 0.034 52.128 52.037 0.095 0.000 1.038 144 A CB -0.334 18.665 19.000 -0.001 0.000 2.123 144 A HN 0.063 nan 8.150 nan 0.000 0.998 145 G N 0.480 109.392 108.800 0.186 0.000 2.534 145 G HA2 0.179 4.120 3.960 -0.032 0.000 0.217 145 G HA3 0.179 4.120 3.960 -0.032 0.000 0.217 145 G C 0.430 175.245 174.900 -0.142 0.000 1.128 145 G CA 1.463 46.654 45.100 0.153 0.000 0.784 145 G HN 0.879 nan 8.290 nan 0.000 0.542 146 D N -1.178 119.173 120.400 -0.082 0.000 2.539 146 D HA 0.208 4.829 4.640 -0.032 0.000 0.276 146 D C -0.040 176.062 176.300 -0.330 0.000 1.206 146 D CA -0.821 53.054 54.000 -0.207 0.000 1.081 146 D CB 0.558 41.516 40.800 0.263 0.000 1.142 146 D HN 0.080 nan 8.370 nan 0.000 0.595 147 Y N -1.105 119.195 120.300 -0.000 0.000 2.481 147 Y HA 0.345 4.875 4.550 -0.032 0.000 0.247 147 Y C 1.403 177.196 175.900 -0.179 0.000 1.151 147 Y CA -0.589 57.361 58.100 -0.251 0.000 1.238 147 Y CB 0.331 38.551 38.460 -0.400 0.000 1.179 147 Y HN 0.451 nan 8.280 nan 0.000 0.524 148 G N 1.227 110.054 108.800 0.045 0.000 2.544 148 G HA2 0.341 4.282 3.960 -0.032 0.000 0.242 148 G HA3 0.341 4.282 3.960 -0.032 0.000 0.242 148 G C -0.328 174.405 174.900 -0.278 0.000 1.247 148 G CA -0.554 44.412 45.100 -0.225 0.000 0.840 148 G HN 0.144 nan 8.290 nan 0.000 0.578 149 K N 0.957 121.033 120.400 -0.541 0.000 2.450 149 K HA 0.320 4.621 4.320 -0.032 0.000 0.257 149 K C -1.726 174.663 176.600 -0.352 0.000 0.953 149 K CA -0.462 55.547 56.287 -0.464 0.000 0.844 149 K CB 2.075 34.071 32.500 -0.840 0.000 1.103 149 K HN 0.504 nan 8.250 nan 0.000 0.429 150 Y N 0.669 120.939 120.300 -0.050 0.000 2.350 150 Y HA 0.152 4.683 4.550 -0.033 0.000 0.338 150 Y C 1.499 177.324 175.900 -0.124 0.000 0.961 150 Y CA -0.828 57.179 58.100 -0.154 0.000 1.100 150 Y CB 1.939 40.120 38.460 -0.466 0.000 1.179 150 Y HN 0.567 nan 8.280 nan 0.000 0.454 151 T N 0.827 115.360 114.554 -0.034 0.000 2.684 151 T HA -0.164 4.167 4.350 -0.032 0.000 0.267 151 T C 1.973 176.582 174.700 -0.152 0.000 1.036 151 T CA 1.744 63.790 62.100 -0.090 0.000 1.148 151 T CB -0.133 68.590 68.868 -0.241 0.000 0.863 151 T HN 0.508 nan 8.240 nan 0.000 0.436 152 V N 2.751 122.475 119.914 -0.316 0.000 2.261 152 V HA -0.119 3.982 4.120 -0.032 0.000 0.246 152 V C -0.233 175.750 176.094 -0.185 0.000 1.047 152 V CA 1.820 63.992 62.300 -0.213 0.000 1.015 152 V CB -1.562 30.154 31.823 -0.178 0.000 0.642 152 V HN 0.422 nan 8.190 nan 0.000 0.446 153 P HA -0.092 nan 4.420 nan 0.000 0.221 153 P C 1.550 178.816 177.300 -0.057 0.000 1.150 153 P CA 1.852 64.662 63.100 -0.483 0.000 0.800 153 P CB -0.044 30.941 31.700 -1.191 0.000 0.787 154 A N 0.903 123.741 122.820 0.029 0.000 1.940 154 A HA -0.097 4.204 4.320 -0.032 0.000 0.219 154 A C 2.494 180.190 177.584 0.186 0.000 1.176 154 A CA 2.197 54.366 52.037 0.221 0.000 0.631 154 A CB -1.507 17.678 19.000 0.309 0.000 0.814 154 A HN 0.239 nan 8.150 nan 0.000 0.446 155 A N 0.118 122.994 122.820 0.093 0.000 1.877 155 A HA -0.181 4.120 4.320 -0.032 0.000 0.216 155 A C 2.121 179.807 177.584 0.170 0.000 1.186 155 A CA 2.129 54.209 52.037 0.071 0.000 0.620 155 A CB -0.502 18.498 19.000 -0.001 0.000 0.822 155 A HN 0.624 nan 8.150 nan 0.000 0.443 156 K N -0.125 120.388 120.400 0.189 0.000 2.032 156 K HA -0.108 4.193 4.320 -0.032 0.000 0.209 156 K C 2.087 178.820 176.600 0.222 0.000 1.048 156 K CA 1.578 57.957 56.287 0.154 0.000 0.927 156 K CB -0.425 32.217 32.500 0.238 0.000 0.712 156 K HN 0.311 nan 8.250 nan 0.000 0.441 157 A N 0.758 123.769 122.820 0.318 0.000 1.902 157 A HA -0.102 4.198 4.320 -0.032 0.000 0.217 157 A C 2.294 180.059 177.584 0.301 0.000 1.181 157 A CA 1.748 54.021 52.037 0.395 0.000 0.623 157 A CB -0.703 18.646 19.000 0.582 0.000 0.818 157 A HN 0.195 nan 8.150 nan 0.000 0.443 158 V N -0.160 119.918 119.914 0.272 0.000 2.295 158 V HA -0.247 3.854 4.120 -0.032 0.000 0.246 158 V C 3.084 179.206 176.094 0.047 0.000 1.049 158 V CA 1.949 64.336 62.300 0.146 0.000 1.024 158 V CB -1.295 30.558 31.823 0.050 0.000 0.648 158 V HN 0.627 nan 8.190 nan 0.000 0.447 159 A N 0.052 122.900 122.820 0.048 0.000 1.892 159 A HA -0.298 4.003 4.320 -0.032 0.000 0.218 159 A C 1.988 179.607 177.584 0.057 0.000 1.188 159 A CA 2.300 54.343 52.037 0.011 0.000 0.631 159 A CB -0.740 18.245 19.000 -0.024 0.000 0.822 159 A HN 0.558 nan 8.150 nan 0.000 0.447 160 D N -0.081 120.400 120.400 0.135 0.000 2.117 160 D HA -0.099 4.522 4.640 -0.032 0.000 0.197 160 D C 1.968 178.387 176.300 0.197 0.000 0.987 160 D CA 1.035 55.143 54.000 0.181 0.000 0.829 160 D CB -0.357 40.577 40.800 0.223 0.000 0.961 160 D HN 0.466 nan 8.370 nan 0.000 0.460 161 L N 0.233 121.527 121.223 0.118 0.000 2.056 161 L HA -0.103 4.217 4.340 -0.032 0.000 0.207 161 L C 2.553 179.474 176.870 0.084 0.000 1.078 161 L CA 0.575 55.458 54.840 0.072 0.000 0.749 161 L CB -0.324 41.699 42.059 -0.060 0.000 0.901 161 L HN 0.051 nan 8.230 nan 0.000 0.433 162 L N -0.483 120.744 121.223 0.005 0.000 2.046 162 L HA -0.244 4.077 4.340 -0.032 0.000 0.208 162 L C 2.549 179.482 176.870 0.105 0.000 1.077 162 L CA 1.284 56.091 54.840 -0.056 0.000 0.747 162 L CB -0.504 41.334 42.059 -0.368 0.000 0.896 162 L HN 0.288 nan 8.230 nan 0.000 0.432 163 L N -0.306 121.019 121.223 0.170 0.000 2.083 163 L HA -0.199 4.122 4.340 -0.032 0.000 0.209 163 L C 2.845 179.989 176.870 0.457 0.000 1.083 163 L CA 1.141 56.200 54.840 0.364 0.000 0.752 163 L CB -0.650 41.566 42.059 0.263 0.000 0.899 163 L HN 0.246 nan 8.230 nan 0.000 0.433 164 A N -0.774 122.322 122.820 0.460 0.000 1.930 164 A HA -0.273 4.028 4.320 -0.032 0.000 0.217 164 A C 2.087 179.780 177.584 0.182 0.000 1.175 164 A CA 1.749 53.987 52.037 0.334 0.000 0.627 164 A CB -0.730 18.486 19.000 0.360 0.000 0.815 164 A HN 0.526 nan 8.150 nan 0.000 0.443 165 H N -0.023 119.104 119.070 0.095 0.000 2.357 165 H HA -0.057 4.480 4.556 -0.033 0.000 0.301 165 H C 1.922 177.268 175.328 0.030 0.000 1.082 165 H CA 2.026 58.087 56.048 0.022 0.000 1.342 165 H CB -0.080 29.640 29.762 -0.069 0.000 1.389 165 H HN 0.592 nan 8.280 nan 0.000 0.511 166 E N -0.787 119.453 120.200 0.067 0.000 2.051 166 E HA -0.204 4.126 4.350 -0.032 0.000 0.192 166 E C 1.850 178.366 176.600 -0.141 0.000 0.991 166 E CA 1.412 57.818 56.400 0.011 0.000 0.799 166 E CB -0.161 29.662 29.700 0.204 0.000 0.748 166 E HN 0.610 nan 8.360 nan 0.000 0.449 167 Y N -1.137 118.949 120.300 -0.357 0.000 2.269 167 Y HA -0.054 4.476 4.550 -0.033 0.000 0.294 167 Y C 0.759 176.128 175.900 -0.886 0.000 1.120 167 Y CA 0.447 58.073 58.100 -0.790 0.000 1.159 167 Y CB 0.494 38.122 38.460 -1.386 0.000 1.024 167 Y HN -0.045 nan 8.280 nan 0.000 0.532 168 F N -0.655 119.305 119.950 0.016 0.000 2.623 168 F HA 0.338 4.846 4.527 -0.031 0.000 0.361 168 F C -2.024 173.735 175.800 -0.069 0.000 1.469 168 F CA -2.984 54.990 58.000 -0.044 0.000 1.126 168 F CB 0.170 39.116 39.000 -0.090 0.000 1.221 168 F HN -0.124 nan 8.300 nan 0.000 0.536 169 P HA -0.151 nan 4.420 nan 0.000 0.217 169 P C 1.632 178.923 177.300 -0.014 0.000 1.151 169 P CA 1.581 64.613 63.100 -0.114 0.000 0.828 169 P CB 0.383 31.913 31.700 -0.283 0.000 0.788 170 A N 0.845 123.676 122.820 0.019 0.000 1.883 170 A HA -0.101 4.200 4.320 -0.032 0.000 0.217 170 A C 2.525 180.146 177.584 0.060 0.000 1.186 170 A CA 2.414 54.464 52.037 0.021 0.000 0.624 170 A CB -1.583 17.453 19.000 0.061 0.000 0.822 170 A HN 0.239 nan 8.150 nan 0.000 0.444 171 A N -0.475 122.426 122.820 0.135 0.000 1.898 171 A HA 0.005 4.305 4.320 -0.032 0.000 0.216 171 A C 2.139 179.816 177.584 0.155 0.000 1.181 171 A CA 1.446 53.592 52.037 0.182 0.000 0.620 171 A CB -0.592 18.474 19.000 0.111 0.000 0.819 171 A HN 0.461 nan 8.150 nan 0.000 0.442 172 L N -0.676 120.613 121.223 0.110 0.000 2.201 172 L HA -0.146 4.175 4.340 -0.032 0.000 0.212 172 L C 2.945 179.844 176.870 0.050 0.000 1.105 172 L CA 0.735 55.631 54.840 0.093 0.000 0.775 172 L CB -0.398 41.724 42.059 0.105 0.000 0.913 172 L HN 0.435 nan 8.230 nan 0.000 0.440 173 A N -1.021 121.787 122.820 -0.020 0.000 2.019 173 A HA -0.206 4.095 4.320 -0.032 0.000 0.219 173 A C 1.853 179.354 177.584 -0.138 0.000 1.164 173 A CA 1.209 53.183 52.037 -0.105 0.000 0.644 173 A CB -0.645 18.241 19.000 -0.190 0.000 0.805 173 A HN 0.446 nan 8.150 nan 0.000 0.449 174 H N -0.818 118.282 119.070 0.050 0.000 2.547 174 H HA 0.191 4.728 4.556 -0.032 0.000 0.266 174 H C 0.449 175.806 175.328 0.049 0.000 0.988 174 H CA 0.970 57.046 56.048 0.048 0.000 1.147 174 H CB -0.546 29.244 29.762 0.048 0.000 1.365 174 H HN 0.437 nan 8.280 nan 0.000 0.589 175 V N -1.484 118.508 119.914 0.130 0.000 2.919 175 V HA 0.562 4.663 4.120 -0.032 0.000 0.316 175 V C 0.011 176.150 176.094 0.075 0.000 1.077 175 V CA -1.320 61.044 62.300 0.107 0.000 0.977 175 V CB 3.173 35.061 31.823 0.109 0.000 1.039 175 V HN 0.037 nan 8.190 nan 0.000 0.441 176 R N 3.832 124.377 120.500 0.075 0.000 2.409 176 R HA 0.599 4.920 4.340 -0.032 0.000 0.313 176 R C -2.653 173.689 176.300 0.070 0.000 0.953 176 R CA -1.813 54.319 56.100 0.053 0.000 0.849 176 R CB 2.401 32.727 30.300 0.043 0.000 1.171 176 R HN 0.765 nan 8.270 nan 0.000 0.458 177 P HA 0.085 nan 4.420 nan 0.000 0.307 177 P C -0.200 177.156 177.300 0.093 0.000 1.306 177 P CA -0.318 62.848 63.100 0.110 0.000 0.742 177 P CB 0.641 32.418 31.700 0.130 0.000 1.349 178 M N 0.268 119.930 119.600 0.104 0.000 3.254 178 M HA 0.123 4.583 4.480 -0.032 0.000 0.257 178 M C 1.735 178.055 176.300 0.034 0.000 1.490 178 M CA 0.193 55.493 55.300 0.000 0.000 1.620 178 M CB -0.458 32.070 32.600 -0.121 0.000 1.157 178 M HN 0.305 nan 8.290 nan 0.000 0.541 179 R N 0.941 121.462 120.500 0.035 0.000 2.105 179 R HA -0.142 4.178 4.340 -0.032 0.000 0.239 179 R C 2.131 178.428 176.300 -0.004 0.000 1.135 179 R CA 2.173 58.267 56.100 -0.010 0.000 0.967 179 R CB 0.102 30.266 30.300 -0.227 0.000 0.861 179 R HN 0.661 nan 8.270 nan 0.000 0.442 180 S N -0.355 115.329 115.700 -0.028 0.000 2.515 180 S HA -0.063 4.388 4.470 -0.032 0.000 0.231 180 S C 1.821 176.409 174.600 -0.021 0.000 0.987 180 S CA 0.687 58.894 58.200 0.012 0.000 0.936 180 S CB 0.119 63.316 63.200 -0.005 0.000 0.766 180 S HN 0.318 nan 8.310 nan 0.000 0.528 181 V N -1.497 118.330 119.914 -0.144 0.000 3.541 181 V HA 0.274 4.375 4.120 -0.032 0.000 0.267 181 V C 0.436 176.367 176.094 -0.271 0.000 1.213 181 V CA -0.112 62.045 62.300 -0.240 0.000 1.149 181 V CB -0.976 30.643 31.823 -0.338 0.000 0.822 181 V HN 0.475 nan 8.190 nan 0.000 0.462 182 H N 0.786 119.919 119.070 0.105 0.000 2.595 182 H HA 0.590 5.127 4.556 -0.032 0.000 0.346 182 H C -0.207 175.203 175.328 0.137 0.000 1.181 182 H CA -0.752 55.372 56.048 0.127 0.000 1.242 182 H CB 1.548 31.409 29.762 0.165 0.000 1.652 182 H HN 0.234 nan 8.280 nan 0.000 0.548 183 R N 0.357 120.963 120.500 0.177 0.000 2.594 183 R HA 0.420 4.741 4.340 -0.032 0.000 0.272 183 R C -0.451 175.714 176.300 -0.224 0.000 1.074 183 R CA -0.347 55.756 56.100 0.005 0.000 1.105 183 R CB 0.429 30.731 30.300 0.003 0.000 1.008 183 R HN 0.725 nan 8.270 nan 0.000 0.472 184 A N 4.786 127.412 122.820 -0.322 0.000 2.295 184 A HA 0.499 4.800 4.320 -0.032 0.000 0.318 184 A C -2.066 175.398 177.584 -0.199 0.000 1.134 184 A CA -1.483 50.268 52.037 -0.477 0.000 0.827 184 A CB 0.327 19.119 19.000 -0.347 0.000 1.136 184 A HN 0.684 nan 8.150 nan 0.000 0.493 185 P HA 0.199 nan 4.420 nan 0.000 0.275 185 P C -0.846 176.359 177.300 -0.157 0.000 1.227 185 P CA -0.041 62.969 63.100 -0.150 0.000 0.781 185 P CB 0.324 32.009 31.700 -0.025 0.000 0.906 186 H N 1.850 120.946 119.070 0.042 0.000 2.722 186 H HA 0.206 4.742 4.556 -0.032 0.000 0.328 186 H C 0.789 176.120 175.328 0.004 0.000 1.067 186 H CA -0.122 55.943 56.048 0.027 0.000 1.447 186 H CB 0.666 30.447 29.762 0.032 0.000 1.469 186 H HN 0.311 nan 8.280 nan 0.000 0.544 187 L N 4.544 125.808 121.223 0.068 0.000 2.475 187 L HA 0.214 4.535 4.340 -0.032 0.000 0.253 187 L C -1.739 175.060 176.870 -0.118 0.000 1.198 187 L CA -1.928 52.866 54.840 -0.077 0.000 0.814 187 L CB -0.141 41.812 42.059 -0.176 0.000 1.134 187 L HN 0.369 nan 8.230 nan 0.000 0.478 188 P HA 0.055 nan 4.420 nan 0.000 0.266 188 P C -2.117 175.089 177.300 -0.157 0.000 1.195 188 P CA -0.909 62.094 63.100 -0.162 0.000 0.768 188 P CB 0.054 31.659 31.700 -0.159 0.000 0.838 189 P HA -0.326 nan 4.420 nan 0.000 0.216 189 P C 1.303 178.560 177.300 -0.071 0.000 1.167 189 P CA 2.535 65.608 63.100 -0.046 0.000 0.914 189 P CB -0.372 31.335 31.700 0.011 0.000 0.793 190 A N -1.058 121.734 122.820 -0.045 0.000 1.908 190 A HA -0.180 4.120 4.320 -0.032 0.000 0.218 190 A C 2.257 179.753 177.584 -0.147 0.000 1.181 190 A CA 1.619 53.620 52.037 -0.061 0.000 0.627 190 A CB -1.595 17.423 19.000 0.030 0.000 0.818 190 A HN 0.124 nan 8.150 nan 0.000 0.445 191 L N -1.198 119.839 121.223 -0.309 0.000 2.109 191 L HA -0.132 4.189 4.340 -0.032 0.000 0.207 191 L C 2.593 179.390 176.870 -0.121 0.000 1.086 191 L CA 1.556 56.178 54.840 -0.363 0.000 0.760 191 L CB -0.600 40.921 42.059 -0.898 0.000 0.910 191 L HN 0.613 nan 8.230 nan 0.000 0.437 192 E N 0.519 120.607 120.200 -0.188 0.000 2.058 192 E HA -0.209 4.122 4.350 -0.032 0.000 0.194 192 E C 2.187 178.589 176.600 -0.330 0.000 0.997 192 E CA 1.726 57.989 56.400 -0.228 0.000 0.801 192 E CB 0.104 29.654 29.700 -0.251 0.000 0.746 192 E HN 0.205 nan 8.360 nan 0.000 0.450 193 V N 0.941 120.726 119.914 -0.214 0.000 2.307 193 V HA -0.215 3.885 4.120 -0.032 0.000 0.245 193 V C 2.416 178.615 176.094 0.176 0.000 1.045 193 V CA 1.770 64.053 62.300 -0.029 0.000 1.024 193 V CB -0.694 31.135 31.823 0.009 0.000 0.651 193 V HN 0.485 nan 8.190 nan 0.000 0.449 194 A N -0.101 122.782 122.820 0.105 0.000 1.969 194 A HA -0.233 4.067 4.320 -0.032 0.000 0.218 194 A C 2.358 179.934 177.584 -0.013 0.000 1.169 194 A CA 1.831 53.949 52.037 0.134 0.000 0.635 194 A CB -0.584 18.481 19.000 0.108 0.000 0.810 194 A HN 0.491 nan 8.150 nan 0.000 0.445 195 R N -0.168 120.328 120.500 -0.007 0.000 2.127 195 R HA -0.153 4.168 4.340 -0.032 0.000 0.238 195 R C 1.720 177.924 176.300 -0.160 0.000 1.134 195 R CA 1.587 57.599 56.100 -0.145 0.000 0.975 195 R CB -0.135 30.105 30.300 -0.100 0.000 0.865 195 R HN 0.495 nan 8.270 nan 0.000 0.447 196 E N 0.239 120.377 120.200 -0.104 0.000 2.110 196 E HA -0.218 4.113 4.350 -0.032 0.000 0.193 196 E C 1.747 178.143 176.600 -0.340 0.000 0.988 196 E CA 1.217 57.539 56.400 -0.130 0.000 0.804 196 E CB -0.050 29.658 29.700 0.013 0.000 0.745 196 E HN 0.404 nan 8.360 nan 0.000 0.458 197 E N 0.833 120.646 120.200 -0.645 0.000 2.076 197 E HA -0.035 4.295 4.350 -0.032 0.000 0.190 197 E C 2.081 178.510 176.600 -0.285 0.000 0.979 197 E CA 0.451 56.399 56.400 -0.752 0.000 0.807 197 E CB -0.164 28.632 29.700 -1.506 0.000 0.761 197 E HN 0.173 nan 8.360 nan 0.000 0.454 198 I N 0.551 120.950 120.570 -0.284 0.000 2.208 198 I HA -0.289 3.862 4.170 -0.032 0.000 0.245 198 I C 2.361 178.350 176.117 -0.213 0.000 1.097 198 I CA 1.149 62.296 61.300 -0.255 0.000 1.363 198 I CB -0.378 37.429 38.000 -0.322 0.000 1.051 198 I HN 0.196 nan 8.210 nan 0.000 0.413 199 A N 0.152 122.865 122.820 -0.179 0.000 1.908 199 A HA -0.280 4.021 4.320 -0.032 0.000 0.218 199 A C 2.104 179.650 177.584 -0.063 0.000 1.181 199 A CA 1.766 53.731 52.037 -0.120 0.000 0.627 199 A CB -1.215 17.731 19.000 -0.090 0.000 0.818 199 A HN 0.685 nan 8.150 nan 0.000 0.445 200 W N 0.625 121.803 121.300 -0.204 0.000 2.355 200 W HA -0.133 4.509 4.660 -0.031 0.000 0.309 200 W C 1.698 178.145 176.519 -0.120 0.000 1.206 200 W CA 1.748 58.990 57.345 -0.171 0.000 1.284 200 W CB -0.557 28.769 29.460 -0.224 0.000 1.145 200 W HN 0.236 nan 8.180 nan 0.000 0.502 201 L N 0.491 121.451 121.223 -0.438 0.000 2.051 201 L HA -0.309 4.012 4.340 -0.032 0.000 0.214 201 L C 2.629 179.358 176.870 -0.236 0.000 1.076 201 L CA 1.610 56.121 54.840 -0.548 0.000 0.758 201 L CB -0.997 40.917 42.059 -0.241 0.000 0.890 201 L HN 0.104 nan 8.230 nan 0.000 0.433 202 L N -0.556 120.584 121.223 -0.137 0.000 2.127 202 L HA -0.209 4.111 4.340 -0.032 0.000 0.211 202 L C 2.635 179.430 176.870 -0.125 0.000 1.089 202 L CA 1.863 56.691 54.840 -0.020 0.000 0.757 202 L CB -0.825 41.191 42.059 -0.073 0.000 0.899 202 L HN 0.486 nan 8.230 nan 0.000 0.434 203 T N -3.956 110.458 114.554 -0.232 0.000 3.118 203 T HA -0.045 4.285 4.350 -0.032 0.000 0.260 203 T C 1.542 176.080 174.700 -0.271 0.000 1.139 203 T CA 0.346 62.318 62.100 -0.214 0.000 1.085 203 T CB 0.029 68.797 68.868 -0.168 0.000 0.934 203 T HN 0.087 nan 8.240 nan 0.000 0.518 204 M N 0.663 120.013 119.600 -0.417 0.000 2.495 204 M HA 0.298 4.759 4.480 -0.032 0.000 0.237 204 M C 0.885 176.997 176.300 -0.313 0.000 1.131 204 M CA 0.185 55.265 55.300 -0.366 0.000 1.032 204 M CB -0.548 31.682 32.600 -0.616 0.000 1.513 204 M HN 0.446 nan 8.290 nan 0.000 0.488 205 Q N 1.920 121.469 119.800 -0.419 0.000 2.294 205 Q HA 0.073 4.394 4.340 -0.032 0.000 0.257 205 Q C -0.754 175.085 176.000 -0.267 0.000 0.955 205 Q CA -0.258 55.230 55.803 -0.525 0.000 0.936 205 Q CB 0.995 29.373 28.738 -0.599 0.000 1.188 205 Q HN 0.028 nan 8.270 nan 0.000 0.420 206 D N 5.774 125.984 120.400 -0.317 0.000 2.389 206 D HA 0.034 4.655 4.640 -0.032 0.000 0.263 206 D C -1.829 174.400 176.300 -0.118 0.000 1.255 206 D CA -1.664 52.242 54.000 -0.158 0.000 0.914 206 D CB 1.294 41.921 40.800 -0.287 0.000 1.116 206 D HN 0.391 nan 8.370 nan 0.000 0.502 207 P HA -0.110 nan 4.420 nan 0.000 0.218 207 P C 0.791 178.084 177.300 -0.011 0.000 1.148 207 P CA 1.247 64.327 63.100 -0.033 0.000 0.822 207 P CB 0.178 31.869 31.700 -0.015 0.000 0.784 208 A N -0.930 121.891 122.820 0.001 0.000 2.016 208 A HA -0.058 4.243 4.320 -0.032 0.000 0.217 208 A C 1.991 179.603 177.584 0.046 0.000 1.162 208 A CA 2.081 54.132 52.037 0.025 0.000 0.662 208 A CB -1.227 17.794 19.000 0.034 0.000 0.812 208 A HN 0.352 nan 8.150 nan 0.000 0.450 209 T N -6.932 107.649 114.554 0.044 0.000 2.966 209 T HA 0.435 4.766 4.350 -0.032 0.000 0.254 209 T C 1.436 176.233 174.700 0.162 0.000 0.961 209 T CA 1.070 63.255 62.100 0.141 0.000 0.915 209 T CB 0.412 69.416 68.868 0.227 0.000 1.186 209 T HN 1.642 nan 8.240 nan 0.000 0.505 210 G N 1.098 109.890 108.800 -0.015 0.000 2.199 210 G HA2 -0.060 3.881 3.960 -0.032 0.000 0.254 210 G HA3 -0.060 3.881 3.960 -0.032 0.000 0.254 210 G C 0.525 175.200 174.900 -0.376 0.000 0.982 210 G CA -0.039 45.007 45.100 -0.091 0.000 0.632 210 G HN 1.077 nan 8.290 nan 0.000 0.529 211 G N -0.788 107.630 108.800 -0.636 0.000 2.503 211 G HA2 0.600 4.540 3.960 -0.032 0.000 0.257 211 G HA3 0.600 4.540 3.960 -0.032 0.000 0.257 211 G C -0.179 174.074 174.900 -1.078 0.000 1.214 211 G CA 0.308 44.569 45.100 -1.399 0.000 0.839 211 G HN 1.011 nan 8.290 nan 0.000 0.559 212 V N 1.626 120.867 119.914 -1.122 0.000 2.495 212 V HA 0.260 4.361 4.120 -0.032 0.000 0.298 212 V C -0.745 174.915 176.094 -0.724 0.000 1.031 212 V CA -0.919 60.830 62.300 -0.919 0.000 0.871 212 V CB 1.211 32.458 31.823 -0.959 0.000 0.988 212 V HN 0.609 nan 8.190 nan 0.000 0.432 213 Y N 2.409 122.460 120.300 -0.416 0.000 2.511 213 Y HA 0.091 4.622 4.550 -0.031 0.000 0.332 213 Y C 1.528 177.284 175.900 -0.241 0.000 1.177 213 Y CA 0.416 58.363 58.100 -0.254 0.000 1.422 213 Y CB 0.167 38.516 38.460 -0.186 0.000 1.271 213 Y HN 0.750 nan 8.280 nan 0.000 0.550 214 H N 1.938 120.913 119.070 -0.159 0.000 2.389 214 H HA -0.018 4.518 4.556 -0.033 0.000 0.299 214 H C -0.149 175.042 175.328 -0.228 0.000 1.081 214 H CA 1.775 57.620 56.048 -0.338 0.000 1.345 214 H CB 0.353 29.626 29.762 -0.815 0.000 1.393 214 H HN 0.676 nan 8.280 nan 0.000 0.520 215 K N -1.998 118.366 120.400 -0.061 0.000 2.642 215 K HA 0.426 4.726 4.320 -0.032 0.000 0.290 215 K C -1.950 174.615 176.600 -0.057 0.000 1.006 215 K CA -0.970 55.260 56.287 -0.095 0.000 0.869 215 K CB 1.499 33.903 32.500 -0.160 0.000 1.499 215 K HN -0.103 nan 8.250 nan 0.000 0.403 216 V N 1.598 121.452 119.914 -0.099 0.000 2.482 216 V HA 0.694 4.795 4.120 -0.032 0.000 0.295 216 V C -1.319 174.657 176.094 -0.198 0.000 1.026 216 V CA 0.516 62.766 62.300 -0.083 0.000 0.856 216 V CB 1.269 33.106 31.823 0.023 0.000 1.001 216 V HN 1.049 nan 8.190 nan 0.000 0.424 217 T N 1.624 116.080 114.554 -0.163 0.000 2.816 217 T HA 0.604 4.935 4.350 -0.032 0.000 0.299 217 T C -0.018 174.628 174.700 -0.091 0.000 1.230 217 T CA -0.104 61.886 62.100 -0.184 0.000 1.007 217 T CB 1.596 70.325 68.868 -0.231 0.000 1.289 217 T HN 0.947 nan 8.240 nan 0.000 0.508 218 T N -0.598 113.913 114.554 -0.071 0.000 2.813 218 T HA 0.380 4.711 4.350 -0.032 0.000 0.297 218 T C -1.797 172.872 174.700 -0.052 0.000 1.036 218 T CA -1.204 60.881 62.100 -0.025 0.000 1.044 218 T CB -0.013 68.867 68.868 0.019 0.000 0.993 218 T HN 0.390 nan 8.240 nan 0.000 0.535 219 P HA 0.026 nan 4.420 nan 0.000 0.220 219 P C 0.465 177.721 177.300 -0.073 0.000 1.148 219 P CA 0.774 63.864 63.100 -0.016 0.000 0.803 219 P CB 0.083 31.799 31.700 0.028 0.000 0.782 220 S N -2.782 112.866 115.700 -0.087 0.000 2.685 220 S HA 0.539 4.989 4.470 -0.032 0.000 0.282 220 S C -0.780 173.736 174.600 -0.141 0.000 1.159 220 S CA -0.939 57.176 58.200 -0.143 0.000 0.833 220 S CB 0.449 63.643 63.200 -0.010 0.000 1.151 220 S HN -0.228 nan 8.310 nan 0.000 0.485 221 F N 2.764 122.745 119.950 0.051 0.000 2.456 221 F HA 0.469 4.976 4.527 -0.032 0.000 0.358 221 F C -1.402 174.425 175.800 0.045 0.000 1.095 221 F CA -1.324 56.702 58.000 0.042 0.000 1.216 221 F CB 0.062 39.078 39.000 0.027 0.000 1.125 221 F HN 0.418 nan 8.300 nan 0.000 0.549 222 P HA 0.261 nan 4.420 nan 0.000 0.276 222 P C -2.705 174.673 177.300 0.130 0.000 1.261 222 P CA -1.530 61.669 63.100 0.166 0.000 0.800 222 P CB -0.097 31.712 31.700 0.182 0.000 1.066 223 P HA 0.061 nan 4.420 nan 0.000 0.267 223 P C 1.309 178.624 177.300 0.025 0.000 1.201 223 P CA 0.074 63.211 63.100 0.063 0.000 0.775 223 P CB 0.295 32.028 31.700 0.055 0.000 0.854 224 L N 1.041 122.260 121.223 -0.007 0.000 2.261 224 L HA -0.202 4.119 4.340 -0.032 0.000 0.216 224 L C 1.389 178.227 176.870 -0.054 0.000 1.114 224 L CA 1.617 56.408 54.840 -0.081 0.000 0.777 224 L CB -0.289 41.722 42.059 -0.079 0.000 0.910 224 L HN 0.412 nan 8.230 nan 0.000 0.440 225 D N -1.090 119.309 120.400 -0.002 0.000 2.350 225 D HA -0.011 4.609 4.640 -0.032 0.000 0.213 225 D C 0.368 176.690 176.300 0.036 0.000 1.031 225 D CA 0.178 54.187 54.000 0.015 0.000 0.861 225 D CB 0.221 41.035 40.800 0.023 0.000 0.926 225 D HN 0.080 nan 8.370 nan 0.000 0.520 226 T N 1.502 116.091 114.554 0.058 0.000 2.853 226 T HA 0.153 4.484 4.350 -0.032 0.000 0.298 226 T C 0.670 175.451 174.700 0.134 0.000 0.978 226 T CA -0.203 61.956 62.100 0.098 0.000 1.152 226 T CB 0.898 69.859 68.868 0.155 0.000 0.914 226 T HN -0.017 nan 8.240 nan 0.000 0.539 227 R N 4.237 124.766 120.500 0.048 0.000 2.641 227 R HA 0.117 4.438 4.340 -0.032 0.000 0.269 227 R C -1.219 174.963 176.300 -0.197 0.000 1.074 227 R CA -1.737 54.353 56.100 -0.017 0.000 1.133 227 R CB 0.314 30.587 30.300 -0.044 0.000 1.029 227 R HN 0.422 nan 8.270 nan 0.000 0.488 228 P HA -0.225 nan 4.420 nan 0.000 0.215 228 P C 0.768 177.633 177.300 -0.724 0.000 1.153 228 P CA 1.494 63.988 63.100 -1.009 0.000 0.853 228 P CB 0.083 31.234 31.700 -0.915 0.000 0.788 229 E N 0.037 119.957 120.200 -0.468 0.000 2.347 229 E HA -0.154 4.176 4.350 -0.032 0.000 0.196 229 E C 0.932 177.388 176.600 -0.240 0.000 1.008 229 E CA 1.001 57.218 56.400 -0.306 0.000 0.852 229 E CB -0.975 28.646 29.700 -0.132 0.000 0.783 229 E HN 0.200 nan 8.360 nan 0.000 0.505 230 D N 1.472 121.751 120.400 -0.203 0.000 2.277 230 D HA -0.071 4.550 4.640 -0.032 0.000 0.208 230 D C 0.008 176.234 176.300 -0.122 0.000 0.962 230 D CA 0.667 54.593 54.000 -0.123 0.000 0.865 230 D CB -0.336 40.424 40.800 -0.067 0.000 0.939 230 D HN 0.178 nan 8.370 nan 0.000 0.510 231 D N 1.110 121.393 120.400 -0.194 0.000 2.348 231 D HA -0.014 4.607 4.640 -0.032 0.000 0.259 231 D C -0.013 176.218 176.300 -0.115 0.000 1.296 231 D CA 0.161 54.100 54.000 -0.101 0.000 0.931 231 D CB 0.330 41.114 40.800 -0.027 0.000 1.067 231 D HN -0.156 nan 8.370 nan 0.000 0.503 232 D N 2.420 122.797 120.400 -0.038 0.000 2.469 232 D HA 0.161 4.781 4.640 -0.032 0.000 0.215 232 D C 0.424 176.733 176.300 0.014 0.000 1.154 232 D CA -0.271 53.712 54.000 -0.028 0.000 0.832 232 D CB 0.521 41.301 40.800 -0.032 0.000 1.008 232 D HN 0.464 nan 8.370 nan 0.000 0.506 233 A N 2.523 125.368 122.820 0.040 0.000 2.483 233 A HA 0.316 4.617 4.320 -0.032 0.000 0.238 233 A C -1.972 175.642 177.584 0.050 0.000 1.070 233 A CA -0.671 51.393 52.037 0.046 0.000 0.770 233 A CB -0.212 18.822 19.000 0.056 0.000 1.008 233 A HN -0.057 nan 8.150 nan 0.000 0.497 234 P HA 0.167 nan 4.420 nan 0.000 0.268 234 P C -0.770 176.552 177.300 0.036 0.000 1.205 234 P CA 0.236 63.355 63.100 0.032 0.000 0.771 234 P CB 0.366 32.080 31.700 0.022 0.000 0.858 235 L N 2.485 123.726 121.223 0.031 0.000 2.326 235 L HA 0.368 4.689 4.340 -0.032 0.000 0.278 235 L C 0.184 177.058 176.870 0.006 0.000 1.092 235 L CA -0.804 54.045 54.840 0.016 0.000 0.810 235 L CB 1.182 43.250 42.059 0.015 0.000 1.153 235 L HN 0.114 nan 8.230 nan 0.000 0.439 236 V N 4.754 124.671 119.914 0.005 0.000 2.487 236 V HA 0.319 4.420 4.120 -0.032 0.000 0.298 236 V C 0.023 176.123 176.094 0.009 0.000 1.028 236 V CA -0.528 61.792 62.300 0.034 0.000 0.860 236 V CB 2.011 33.893 31.823 0.097 0.000 0.991 236 V HN 0.519 nan 8.190 nan 0.000 0.427 237 L N 4.066 125.275 121.223 -0.024 0.000 2.325 237 L HA 0.300 4.621 4.340 -0.032 0.000 0.284 237 L C 0.812 177.727 176.870 0.076 0.000 1.089 237 L CA 0.371 55.162 54.840 -0.082 0.000 0.836 237 L CB 1.047 42.874 42.059 -0.387 0.000 1.184 237 L HN 0.689 nan 8.230 nan 0.000 0.444 238 S N 4.933 120.705 115.700 0.119 0.000 2.584 238 S HA 0.206 4.657 4.470 -0.032 0.000 0.270 238 S C -2.102 172.693 174.600 0.325 0.000 1.346 238 S CA -0.941 57.376 58.200 0.196 0.000 1.018 238 S CB 0.605 63.964 63.200 0.265 0.000 0.899 238 S HN 0.394 nan 8.310 nan 0.000 0.542 239 P HA 0.067 nan 4.420 nan 0.000 0.269 239 P C -0.223 177.218 177.300 0.236 0.000 1.211 239 P CA -0.012 63.286 63.100 0.329 0.000 0.781 239 P CB 0.213 32.059 31.700 0.243 0.000 0.877 240 I N 0.722 121.295 120.570 0.004 0.000 2.815 240 I HA 0.003 4.154 4.170 -0.032 0.000 0.291 240 I C 0.937 177.001 176.117 -0.088 0.000 1.209 240 I CA 1.153 62.280 61.300 -0.288 0.000 1.431 240 I CB 0.098 37.784 38.000 -0.525 0.000 1.351 240 I HN 0.398 nan 8.210 nan 0.000 0.585 241 S N 4.952 120.547 115.700 -0.176 0.000 2.570 241 S HA 0.299 4.750 4.470 -0.032 0.000 0.286 241 S C 0.410 174.968 174.600 -0.071 0.000 1.099 241 S CA -0.796 57.433 58.200 0.048 0.000 0.913 241 S CB 1.234 64.562 63.200 0.213 0.000 1.085 241 S HN 0.630 nan 8.310 nan 0.000 0.480 242 Y N 2.518 122.884 120.300 0.110 0.000 2.097 242 Y HA -0.063 4.466 4.550 -0.034 0.000 0.282 242 Y C 2.599 178.545 175.900 0.077 0.000 1.152 242 Y CA 2.639 60.861 58.100 0.204 0.000 1.136 242 Y CB -0.823 37.814 38.460 0.295 0.000 0.975 242 Y HN 0.927 nan 8.280 nan 0.000 0.498 243 A N 0.324 123.337 122.820 0.322 0.000 1.908 243 A HA -0.219 4.082 4.320 -0.032 0.000 0.218 243 A C 2.387 180.003 177.584 0.054 0.000 1.181 243 A CA 2.162 54.341 52.037 0.236 0.000 0.627 243 A CB -1.558 17.626 19.000 0.307 0.000 0.818 243 A HN 0.617 nan 8.150 nan 0.000 0.445 244 A N -1.162 121.646 122.820 -0.020 0.000 1.902 244 A HA -0.070 4.230 4.320 -0.032 0.000 0.217 244 A C 2.309 179.745 177.584 -0.247 0.000 1.181 244 A CA 2.272 54.203 52.037 -0.177 0.000 0.623 244 A CB -1.250 17.602 19.000 -0.247 0.000 0.818 244 A HN 0.444 nan 8.150 nan 0.000 0.443 245 T N 0.231 114.554 114.554 -0.384 0.000 2.821 245 T HA 0.035 4.366 4.350 -0.032 0.000 0.267 245 T C 2.186 176.732 174.700 -0.256 0.000 1.046 245 T CA 1.463 63.278 62.100 -0.475 0.000 1.139 245 T CB -0.364 68.015 68.868 -0.815 0.000 0.871 245 T HN 0.575 nan 8.240 nan 0.000 0.454 246 A N 1.932 124.597 122.820 -0.258 0.000 1.872 246 A HA -0.083 4.218 4.320 -0.032 0.000 0.214 246 A C 2.655 180.127 177.584 -0.188 0.000 1.187 246 A CA 2.049 53.969 52.037 -0.194 0.000 0.614 246 A CB -1.224 17.693 19.000 -0.137 0.000 0.826 246 A HN 0.604 nan 8.150 nan 0.000 0.442 247 T N -3.025 111.442 114.554 -0.145 0.000 2.867 247 T HA -0.140 4.191 4.350 -0.032 0.000 0.268 247 T C 1.714 176.208 174.700 -0.344 0.000 1.057 247 T CA 1.405 63.351 62.100 -0.258 0.000 1.136 247 T CB -0.548 68.308 68.868 -0.021 0.000 0.874 247 T HN 0.357 nan 8.240 nan 0.000 0.466 248 F N 1.467 121.207 119.950 -0.351 0.000 2.102 248 F HA -0.082 4.425 4.527 -0.034 0.000 0.298 248 F C 2.727 178.319 175.800 -0.345 0.000 1.105 248 F CA 0.991 58.788 58.000 -0.340 0.000 1.239 248 F CB -1.077 37.722 39.000 -0.335 0.000 0.991 248 F HN 0.352 nan 8.300 nan 0.000 0.474 249 C N 0.976 120.212 119.300 -0.106 0.000 2.393 249 C HA -0.166 4.275 4.460 -0.032 0.000 0.276 249 C C 3.091 177.831 174.990 -0.416 0.000 1.215 249 C CA 1.831 60.735 59.018 -0.189 0.000 1.743 249 C CB -1.825 25.891 27.740 -0.040 0.000 2.044 249 C HN 0.667 nan 8.230 nan 0.000 0.464 250 A N 0.331 122.781 122.820 -0.617 0.000 1.877 250 A HA 0.085 4.386 4.320 -0.032 0.000 0.216 250 A C 2.503 179.661 177.584 -0.710 0.000 1.186 250 A CA 2.515 53.992 52.037 -0.933 0.000 0.620 250 A CB -1.287 16.447 19.000 -2.110 0.000 0.822 250 A HN 0.945 nan 8.150 nan 0.000 0.443 251 A N -1.158 121.243 122.820 -0.699 0.000 1.902 251 A HA -0.095 4.206 4.320 -0.032 0.000 0.217 251 A C 2.161 179.544 177.584 -0.335 0.000 1.181 251 A CA 1.988 53.789 52.037 -0.392 0.000 0.623 251 A CB -0.450 18.335 19.000 -0.358 0.000 0.818 251 A HN 0.420 nan 8.150 nan 0.000 0.443 252 M N -0.380 118.909 119.600 -0.518 0.000 2.175 252 M HA -0.034 4.427 4.480 -0.032 0.000 0.264 252 M C 2.490 178.624 176.300 -0.277 0.000 1.063 252 M CA 1.419 56.427 55.300 -0.487 0.000 1.119 252 M CB -1.605 30.536 32.600 -0.765 0.000 1.377 252 M HN 0.475 nan 8.290 nan 0.000 0.415 253 A N -1.157 121.502 122.820 -0.268 0.000 1.902 253 A HA -0.219 4.081 4.320 -0.032 0.000 0.217 253 A C 2.087 179.630 177.584 -0.069 0.000 1.181 253 A CA 1.965 53.889 52.037 -0.189 0.000 0.623 253 A CB -1.211 17.633 19.000 -0.259 0.000 0.818 253 A HN 0.612 nan 8.150 nan 0.000 0.443 254 H N -0.712 118.277 119.070 -0.135 0.000 2.319 254 H HA -0.068 4.470 4.556 -0.030 0.000 0.299 254 H C 2.345 177.684 175.328 0.018 0.000 1.092 254 H CA 1.220 57.253 56.048 -0.025 0.000 1.302 254 H CB 0.003 29.781 29.762 0.027 0.000 1.373 254 H HN 0.487 nan 8.280 nan 0.000 0.497 255 A N 0.794 123.696 122.820 0.136 0.000 1.902 255 A HA -0.121 4.180 4.320 -0.032 0.000 0.217 255 A C 2.555 180.249 177.584 0.183 0.000 1.181 255 A CA 1.371 53.503 52.037 0.160 0.000 0.623 255 A CB -1.100 17.885 19.000 -0.026 0.000 0.818 255 A HN 0.599 nan 8.150 nan 0.000 0.443 256 A N -0.220 122.630 122.820 0.050 0.000 1.917 256 A HA -0.120 4.181 4.320 -0.032 0.000 0.219 256 A C 2.202 179.835 177.584 0.082 0.000 1.182 256 A CA 1.642 53.700 52.037 0.034 0.000 0.633 256 A CB -0.586 18.395 19.000 -0.032 0.000 0.819 256 A HN 0.485 nan 8.150 nan 0.000 0.448 257 L N -0.724 120.553 121.223 0.089 0.000 2.027 257 L HA -0.133 4.188 4.340 -0.032 0.000 0.206 257 L C 2.551 179.502 176.870 0.134 0.000 1.074 257 L CA 1.176 56.069 54.840 0.088 0.000 0.745 257 L CB -0.471 41.627 42.059 0.066 0.000 0.898 257 L HN 0.274 nan 8.230 nan 0.000 0.433 258 V N -1.484 118.544 119.914 0.191 0.000 2.427 258 V HA -0.282 3.819 4.120 -0.032 0.000 0.248 258 V C 1.836 177.998 176.094 0.113 0.000 1.051 258 V CA 1.570 63.957 62.300 0.145 0.000 1.048 258 V CB -0.631 31.236 31.823 0.074 0.000 0.666 258 V HN 0.357 nan 8.190 nan 0.000 0.456 259 Y N -0.335 120.050 120.300 0.142 0.000 2.490 259 Y HA 0.097 4.627 4.550 -0.033 0.000 0.281 259 Y C 2.368 178.345 175.900 0.129 0.000 1.174 259 Y CA 0.335 58.544 58.100 0.181 0.000 1.295 259 Y CB -0.272 38.225 38.460 0.061 0.000 1.062 259 Y HN 0.093 nan 8.280 nan 0.000 0.522 260 R N 1.406 122.005 120.500 0.166 0.000 2.112 260 R HA -0.176 4.144 4.340 -0.032 0.000 0.242 260 R C -0.816 175.462 176.300 -0.036 0.000 1.137 260 R CA 2.101 58.233 56.100 0.053 0.000 0.944 260 R CB -1.193 29.118 30.300 0.018 0.000 0.857 260 R HN 0.167 nan 8.270 nan 0.000 0.435 261 P HA -0.009 nan 4.420 nan 0.000 0.249 261 P C 0.042 177.035 177.300 -0.512 0.000 1.229 261 P CA 0.964 63.829 63.100 -0.392 0.000 0.788 261 P CB 0.211 31.560 31.700 -0.586 0.000 1.072 262 F N -0.395 119.568 119.950 0.022 0.000 2.577 262 F HA 0.291 4.799 4.527 -0.033 0.000 0.276 262 F C 0.747 176.589 175.800 0.069 0.000 1.032 262 F CA 0.168 58.184 58.000 0.027 0.000 1.297 262 F CB 0.061 39.045 39.000 -0.027 0.000 1.061 262 F HN -0.192 nan 8.300 nan 0.000 0.680 263 D N -0.058 120.522 120.400 0.301 0.000 2.429 263 D HA 0.276 4.896 4.640 -0.032 0.000 0.255 263 D C -2.324 174.040 176.300 0.108 0.000 1.257 263 D CA -1.985 52.122 54.000 0.178 0.000 0.890 263 D CB 1.111 42.017 40.800 0.176 0.000 1.267 263 D HN -0.123 nan 8.370 nan 0.000 0.521 264 P HA -0.099 nan 4.420 nan 0.000 0.218 264 P C 1.162 178.468 177.300 0.011 0.000 1.148 264 P CA 1.146 64.264 63.100 0.030 0.000 0.822 264 P CB 0.400 32.106 31.700 0.010 0.000 0.784 265 A N -0.556 122.265 122.820 0.002 0.000 1.873 265 A HA -0.170 4.130 4.320 -0.032 0.000 0.215 265 A C 2.133 179.695 177.584 -0.038 0.000 1.186 265 A CA 1.444 53.471 52.037 -0.017 0.000 0.616 265 A CB -1.657 17.332 19.000 -0.018 0.000 0.823 265 A HN 0.156 nan 8.150 nan 0.000 0.442 266 L N 0.091 121.280 121.223 -0.056 0.000 2.012 266 L HA -0.141 4.179 4.340 -0.032 0.000 0.210 266 L C 2.646 179.453 176.870 -0.106 0.000 1.073 266 L CA 2.700 57.469 54.840 -0.119 0.000 0.748 266 L CB -0.845 41.089 42.059 -0.208 0.000 0.891 266 L HN 0.392 nan 8.230 nan 0.000 0.431 267 S N -1.704 113.974 115.700 -0.037 0.000 2.359 267 S HA -0.250 4.201 4.470 -0.032 0.000 0.224 267 S C 2.300 176.885 174.600 -0.025 0.000 1.035 267 S CA 1.897 60.097 58.200 -0.000 0.000 1.018 267 S CB -0.711 62.527 63.200 0.064 0.000 0.876 267 S HN 0.670 nan 8.310 nan 0.000 0.448 268 S N -0.343 115.345 115.700 -0.020 0.000 2.382 268 S HA -0.144 4.307 4.470 -0.032 0.000 0.228 268 S C 2.295 176.875 174.600 -0.034 0.000 1.027 268 S CA 1.491 59.678 58.200 -0.022 0.000 0.991 268 S CB -1.153 62.038 63.200 -0.014 0.000 0.823 268 S HN 0.780 nan 8.310 nan 0.000 0.469 269 C N 0.812 120.084 119.300 -0.047 0.000 2.429 269 C HA -0.034 4.407 4.460 -0.032 0.000 0.277 269 C C 2.890 177.836 174.990 -0.073 0.000 1.262 269 C CA 0.992 59.977 59.018 -0.054 0.000 1.733 269 C CB -1.867 25.834 27.740 -0.065 0.000 2.010 269 C HN 0.783 nan 8.230 nan 0.000 0.483 270 C N 1.091 120.325 119.300 -0.110 0.000 2.440 270 C HA 0.053 4.494 4.460 -0.032 0.000 0.278 270 C C 3.170 178.079 174.990 -0.134 0.000 1.295 270 C CA 1.184 60.105 59.018 -0.162 0.000 1.738 270 C CB -1.617 26.007 27.740 -0.193 0.000 1.987 270 C HN 0.772 nan 8.230 nan 0.000 0.492 271 A N 1.055 123.823 122.820 -0.086 0.000 1.883 271 A HA -0.224 4.077 4.320 -0.032 0.000 0.217 271 A C 1.774 179.334 177.584 -0.039 0.000 1.186 271 A CA 2.311 54.309 52.037 -0.065 0.000 0.624 271 A CB -0.616 18.361 19.000 -0.038 0.000 0.822 271 A HN 0.535 nan 8.150 nan 0.000 0.444 272 D N -0.197 120.191 120.400 -0.020 0.000 2.149 272 D HA 0.036 4.657 4.640 -0.032 0.000 0.201 272 D C 2.220 178.538 176.300 0.029 0.000 0.972 272 D CA 1.353 55.358 54.000 0.009 0.000 0.835 272 D CB -0.446 40.359 40.800 0.008 0.000 0.966 272 D HN 0.418 nan 8.370 nan 0.000 0.476 273 A N 1.156 123.989 122.820 0.022 0.000 1.902 273 A HA -0.061 4.240 4.320 -0.032 0.000 0.217 273 A C 2.319 179.997 177.584 0.157 0.000 1.181 273 A CA 2.149 54.250 52.037 0.106 0.000 0.623 273 A CB -0.715 18.364 19.000 0.131 0.000 0.818 273 A HN 0.227 nan 8.150 nan 0.000 0.443 274 A N -0.296 122.526 122.820 0.002 0.000 1.908 274 A HA -0.186 4.115 4.320 -0.032 0.000 0.218 274 A C 2.260 179.888 177.584 0.072 0.000 1.181 274 A CA 1.609 53.631 52.037 -0.025 0.000 0.627 274 A CB -0.479 18.428 19.000 -0.154 0.000 0.818 274 A HN 0.544 nan 8.150 nan 0.000 0.445 275 R N -0.857 119.685 120.500 0.071 0.000 2.096 275 R HA -0.066 4.255 4.340 -0.032 0.000 0.235 275 R C 2.463 178.871 176.300 0.180 0.000 1.127 275 R CA 1.442 57.624 56.100 0.137 0.000 0.968 275 R CB -0.248 30.118 30.300 0.110 0.000 0.861 275 R HN 0.501 nan 8.270 nan 0.000 0.440 276 R N -0.003 120.578 120.500 0.136 0.000 2.090 276 R HA -0.011 4.309 4.340 -0.032 0.000 0.228 276 R C 2.299 178.682 176.300 0.138 0.000 1.110 276 R CA 1.126 57.301 56.100 0.124 0.000 0.973 276 R CB -0.267 30.077 30.300 0.074 0.000 0.869 276 R HN 0.175 nan 8.270 nan 0.000 0.440 277 A N 0.560 123.459 122.820 0.132 0.000 1.877 277 A HA -0.225 4.075 4.320 -0.032 0.000 0.216 277 A C 1.965 179.639 177.584 0.150 0.000 1.186 277 A CA 1.179 53.267 52.037 0.085 0.000 0.620 277 A CB -0.744 18.345 19.000 0.148 0.000 0.822 277 A HN 0.391 nan 8.150 nan 0.000 0.443 278 Y N 0.370 120.727 120.300 0.095 0.000 2.224 278 Y HA -0.083 4.451 4.550 -0.027 0.000 0.289 278 Y C 2.700 178.701 175.900 0.169 0.000 1.146 278 Y CA 1.125 59.301 58.100 0.126 0.000 1.182 278 Y CB -0.307 38.249 38.460 0.160 0.000 0.983 278 Y HN 0.335 nan 8.280 nan 0.000 0.524 279 A N -0.694 122.311 122.820 0.308 0.000 1.940 279 A HA -0.279 4.021 4.320 -0.032 0.000 0.219 279 A C 2.035 179.725 177.584 0.175 0.000 1.176 279 A CA 1.684 53.851 52.037 0.216 0.000 0.631 279 A CB -1.544 17.567 19.000 0.184 0.000 0.814 279 A HN 0.818 nan 8.150 nan 0.000 0.446 280 W N 0.553 121.859 121.300 0.009 0.000 2.381 280 W HA -0.130 4.509 4.660 -0.034 0.000 0.301 280 W C 1.794 178.332 176.519 0.031 0.000 1.205 280 W CA 1.786 59.134 57.345 0.005 0.000 1.285 280 W CB -0.205 29.146 29.460 -0.181 0.000 1.133 280 W HN 0.260 nan 8.180 nan 0.000 0.521 281 L N 0.239 121.572 121.223 0.182 0.000 2.042 281 L HA -0.169 4.152 4.340 -0.032 0.000 0.210 281 L C 2.638 179.485 176.870 -0.038 0.000 1.076 281 L CA 1.535 56.348 54.840 -0.045 0.000 0.749 281 L CB -1.563 40.257 42.059 -0.398 0.000 0.893 281 L HN 0.234 nan 8.230 nan 0.000 0.432 282 G N -0.709 108.042 108.800 -0.082 0.000 2.443 282 G HA2 -0.129 3.812 3.960 -0.032 0.000 0.219 282 G HA3 -0.129 3.812 3.960 -0.032 0.000 0.219 282 G C 1.499 176.360 174.900 -0.065 0.000 1.131 282 G CA 0.692 45.771 45.100 -0.035 0.000 0.775 282 G HN 0.475 nan 8.290 nan 0.000 0.547 283 A N -0.713 122.030 122.820 -0.128 0.000 2.308 283 A HA 0.480 4.781 4.320 -0.032 0.000 0.217 283 A C 0.325 177.544 177.584 -0.607 0.000 1.216 283 A CA -0.063 51.788 52.037 -0.310 0.000 0.864 283 A CB 0.055 18.853 19.000 -0.337 0.000 0.902 283 A HN 0.417 nan 8.150 nan 0.000 0.499 284 H N -0.903 117.920 119.070 -0.413 0.000 2.865 284 H HA 0.498 5.034 4.556 -0.033 0.000 0.372 284 H C -0.701 174.529 175.328 -0.163 0.000 1.173 284 H CA -0.733 55.044 56.048 -0.452 0.000 1.147 284 H CB 0.938 30.023 29.762 -1.129 0.000 1.805 284 H HN 0.285 nan 8.280 nan 0.000 0.553 285 E N 1.162 121.357 120.200 -0.008 0.000 2.373 285 E HA 0.168 4.499 4.350 -0.032 0.000 0.263 285 E C -0.161 176.369 176.600 -0.116 0.000 1.073 285 E CA -0.402 55.971 56.400 -0.045 0.000 0.894 285 E CB 0.887 30.565 29.700 -0.037 0.000 1.008 285 E HN 0.392 nan 8.360 nan 0.000 0.420 286 M N 2.968 122.358 119.600 -0.349 0.000 3.254 286 M HA 0.015 4.475 4.480 -0.032 0.000 0.257 286 M C -0.262 175.904 176.300 -0.224 0.000 1.490 286 M CA 0.040 54.956 55.300 -0.640 0.000 1.620 286 M CB -0.258 31.977 32.600 -0.607 0.000 1.157 286 M HN 0.271 nan 8.290 nan 0.000 0.541 287 Q N 3.602 123.375 119.800 -0.045 0.000 2.296 287 Q HA 0.388 4.709 4.340 -0.032 0.000 0.257 287 Q C -2.475 173.568 176.000 0.071 0.000 0.942 287 Q CA -1.713 54.117 55.803 0.044 0.000 0.939 287 Q CB 1.005 29.805 28.738 0.104 0.000 1.198 287 Q HN 0.180 nan 8.270 nan 0.000 0.429 288 P HA 0.036 nan 4.420 nan 0.000 0.269 288 P C -1.171 176.032 177.300 -0.162 0.000 1.209 288 P CA -0.075 62.997 63.100 -0.045 0.000 0.776 288 P CB 0.267 31.905 31.700 -0.103 0.000 0.876 289 F N 3.866 123.631 119.950 -0.310 0.000 2.412 289 F HA 0.278 4.785 4.527 -0.033 0.000 0.348 289 F C 0.342 175.784 175.800 -0.597 0.000 1.102 289 F CA 0.280 58.033 58.000 -0.412 0.000 1.196 289 F CB 0.454 39.068 39.000 -0.643 0.000 1.144 289 F HN 0.329 nan 8.300 nan 0.000 0.541 290 H N 3.480 122.005 119.070 -0.909 0.000 2.768 290 H HA 0.210 4.747 4.556 -0.032 0.000 0.371 290 H C -0.622 174.096 175.328 -1.016 0.000 1.151 290 H CA -1.102 54.559 56.048 -0.645 0.000 1.165 290 H CB 1.247 30.807 29.762 -0.337 0.000 1.722 290 H HN 0.482 nan 8.280 nan 0.000 0.543 291 N N 3.844 122.331 118.700 -0.356 0.000 2.359 291 N HA 0.012 4.732 4.740 -0.032 0.000 0.261 291 N C -2.048 173.277 175.510 -0.309 0.000 1.267 291 N CA -0.565 52.337 53.050 -0.246 0.000 0.864 291 N CB 0.380 38.850 38.487 -0.028 0.000 1.063 291 N HN 0.378 nan 8.380 nan 0.000 0.474 292 P HA 0.152 nan 4.420 nan 0.000 0.274 292 P C -0.685 176.482 177.300 -0.221 0.000 1.256 292 P CA -0.377 62.453 63.100 -0.450 0.000 0.795 292 P CB 0.689 31.692 31.700 -1.161 0.000 1.038 293 D N -0.449 119.930 120.400 -0.035 0.000 2.414 293 D HA 0.300 4.921 4.640 -0.032 0.000 0.242 293 D C 1.583 177.961 176.300 0.130 0.000 1.129 293 D CA 1.360 55.398 54.000 0.063 0.000 0.885 293 D CB -0.193 40.670 40.800 0.104 0.000 1.198 293 D HN 0.707 nan 8.370 nan 0.000 0.437 294 G N 1.315 110.165 108.800 0.085 0.000 2.179 294 G HA2 -0.229 3.712 3.960 -0.032 0.000 0.260 294 G HA3 -0.229 3.712 3.960 -0.032 0.000 0.260 294 G C 0.148 175.089 174.900 0.068 0.000 0.977 294 G CA -0.207 44.950 45.100 0.094 0.000 0.641 294 G HN 0.437 nan 8.290 nan 0.000 0.533 295 I N 1.003 121.586 120.570 0.022 0.000 2.355 295 I HA 0.457 4.607 4.170 -0.032 0.000 0.288 295 I C 1.007 177.111 176.117 -0.022 0.000 0.999 295 I CA -0.720 60.573 61.300 -0.012 0.000 1.163 295 I CB 1.191 39.163 38.000 -0.046 0.000 1.316 295 I HN 0.026 nan 8.210 nan 0.000 0.454 296 L N 4.737 125.928 121.223 -0.053 0.000 2.906 296 L HA 0.109 4.430 4.340 -0.032 0.000 0.255 296 L C 1.136 177.921 176.870 -0.143 0.000 1.166 296 L CA 0.009 54.820 54.840 -0.047 0.000 0.977 296 L CB 0.203 42.255 42.059 -0.011 0.000 1.313 296 L HN 0.639 nan 8.230 nan 0.000 0.549 297 T N -2.089 112.317 114.554 -0.245 0.000 2.770 297 T HA 0.400 4.731 4.350 -0.032 0.000 0.281 297 T C 0.897 175.617 174.700 0.033 0.000 0.981 297 T CA -0.179 61.668 62.100 -0.422 0.000 0.955 297 T CB 0.973 69.622 68.868 -0.365 0.000 1.060 297 T HN 0.135 nan 8.240 nan 0.000 0.531 298 G N -0.266 108.650 108.800 0.193 0.000 2.178 298 G HA2 0.076 4.016 3.960 -0.032 0.000 0.244 298 G HA3 0.076 4.016 3.960 -0.032 0.000 0.244 298 G C 0.498 175.448 174.900 0.083 0.000 1.213 298 G CA -0.194 44.898 45.100 -0.014 0.000 0.912 298 G HN 0.940 nan 8.290 nan 0.000 0.474 299 E N 1.903 122.098 120.200 -0.009 0.000 2.112 299 E HA -0.079 4.252 4.350 -0.032 0.000 0.190 299 E C 0.082 176.862 176.600 0.299 0.000 0.979 299 E CA -0.113 56.423 56.400 0.227 0.000 0.814 299 E CB -0.092 29.716 29.700 0.180 0.000 0.762 299 E HN 0.628 nan 8.360 nan 0.000 0.460 300 Y N -0.561 119.708 120.300 -0.052 0.000 3.054 300 Y HA -0.240 4.291 4.550 -0.032 0.000 0.210 300 Y C 0.447 176.529 175.900 0.304 0.000 1.212 300 Y CA 0.364 58.335 58.100 -0.215 0.000 1.118 300 Y CB -1.877 36.243 38.460 -0.567 0.000 1.292 300 Y HN 0.116 nan 8.280 nan 0.000 0.533 301 G N 0.085 109.137 108.800 0.421 0.000 2.528 301 G HA2 0.495 4.435 3.960 -0.032 0.000 0.289 301 G HA3 0.495 4.435 3.960 -0.032 0.000 0.289 301 G C -0.953 174.156 174.900 0.349 0.000 1.192 301 G CA 0.262 45.568 45.100 0.344 0.000 0.921 301 G HN 0.280 nan 8.290 nan 0.000 0.512 302 D N -1.865 118.658 120.400 0.205 0.000 2.521 302 D HA 0.368 4.989 4.640 -0.032 0.000 0.195 302 D C 0.531 176.884 176.300 0.088 0.000 1.286 302 D CA 0.135 54.224 54.000 0.149 0.000 0.854 302 D CB 0.978 41.899 40.800 0.201 0.000 1.723 302 D HN 0.458 nan 8.370 nan 0.000 0.550 303 A N 3.299 126.152 122.820 0.055 0.000 2.016 303 A HA 0.123 4.424 4.320 -0.032 0.000 0.217 303 A C 0.919 178.524 177.584 0.035 0.000 1.162 303 A CA 0.734 52.795 52.037 0.041 0.000 0.662 303 A CB -0.043 18.982 19.000 0.042 0.000 0.812 303 A HN 0.344 nan 8.150 nan 0.000 0.450 304 E N -0.017 120.207 120.200 0.040 0.000 2.081 304 E HA 0.511 4.842 4.350 -0.032 0.000 0.276 304 E C -0.029 176.616 176.600 0.074 0.000 0.950 304 E CA -0.127 56.297 56.400 0.041 0.000 0.776 304 E CB 0.534 30.253 29.700 0.031 0.000 1.094 304 E HN 0.301 nan 8.360 nan 0.000 0.402 305 L N 4.170 125.434 121.223 0.068 0.000 2.766 305 L HA 0.323 4.644 4.340 -0.032 0.000 0.242 305 L C 1.741 178.712 176.870 0.168 0.000 1.136 305 L CA -0.169 54.749 54.840 0.130 0.000 0.933 305 L CB 0.170 42.268 42.059 0.065 0.000 1.241 305 L HN 0.421 nan 8.230 nan 0.000 0.522 306 R N 0.780 121.350 120.500 0.118 0.000 2.148 306 R HA -0.123 4.198 4.340 -0.032 0.000 0.223 306 R C 1.754 178.158 176.300 0.173 0.000 1.088 306 R CA 1.518 57.701 56.100 0.138 0.000 0.985 306 R CB -0.178 30.180 30.300 0.097 0.000 0.880 306 R HN 0.480 nan 8.270 nan 0.000 0.451 307 D N 0.621 121.120 120.400 0.166 0.000 2.178 307 D HA -0.172 4.449 4.640 -0.032 0.000 0.202 307 D C 1.125 177.576 176.300 0.251 0.000 0.974 307 D CA 1.006 55.112 54.000 0.177 0.000 0.841 307 D CB -0.080 40.803 40.800 0.139 0.000 0.953 307 D HN 0.146 nan 8.370 nan 0.000 0.478 308 E N 0.373 120.742 120.200 0.281 0.000 2.072 308 E HA -0.056 4.275 4.350 -0.032 0.000 0.191 308 E C 2.011 178.784 176.600 0.289 0.000 0.985 308 E CA 0.249 56.847 56.400 0.331 0.000 0.801 308 E CB -0.376 29.508 29.700 0.307 0.000 0.750 308 E HN 0.172 nan 8.360 nan 0.000 0.452 309 L N 0.592 121.991 121.223 0.294 0.000 2.046 309 L HA -0.101 4.220 4.340 -0.032 0.000 0.208 309 L C 2.052 179.082 176.870 0.268 0.000 1.077 309 L CA 1.417 56.417 54.840 0.266 0.000 0.747 309 L CB -0.507 41.727 42.059 0.293 0.000 0.896 309 L HN 0.236 nan 8.230 nan 0.000 0.432 310 L N -1.721 119.650 121.223 0.247 0.000 2.012 310 L HA -0.272 4.048 4.340 -0.032 0.000 0.210 310 L C 2.400 179.427 176.870 0.260 0.000 1.073 310 L CA 1.899 56.866 54.840 0.212 0.000 0.748 310 L CB -0.538 41.611 42.059 0.150 0.000 0.891 310 L HN 0.572 nan 8.230 nan 0.000 0.431 311 W N 0.636 121.976 121.300 0.066 0.000 2.379 311 W HA -0.163 4.477 4.660 -0.034 0.000 0.307 311 W C 2.423 178.958 176.519 0.027 0.000 1.200 311 W CA 1.691 59.061 57.345 0.042 0.000 1.297 311 W CB -0.828 28.669 29.460 0.061 0.000 1.140 311 W HN 0.278 nan 8.180 nan 0.000 0.507 312 A N 0.013 122.876 122.820 0.071 0.000 1.883 312 A HA -0.216 4.085 4.320 -0.032 0.000 0.217 312 A C 2.172 179.753 177.584 -0.005 0.000 1.186 312 A CA 2.568 54.574 52.037 -0.051 0.000 0.624 312 A CB -1.183 17.865 19.000 0.080 0.000 0.822 312 A HN 0.249 nan 8.150 nan 0.000 0.444 313 S N -0.962 114.837 115.700 0.165 0.000 2.355 313 S HA -0.183 4.268 4.470 -0.032 0.000 0.222 313 S C 1.951 176.500 174.600 -0.084 0.000 1.031 313 S CA 1.422 59.663 58.200 0.069 0.000 0.993 313 S CB -0.683 62.699 63.200 0.303 0.000 0.859 313 S HN 0.717 nan 8.310 nan 0.000 0.453 314 C N 1.757 121.084 119.300 0.045 0.000 2.440 314 C HA 0.109 4.549 4.460 -0.032 0.000 0.278 314 C C 3.059 178.018 174.990 -0.052 0.000 1.295 314 C CA 0.296 59.350 59.018 0.059 0.000 1.738 314 C CB -1.541 26.288 27.740 0.149 0.000 1.987 314 C HN 0.668 nan 8.230 nan 0.000 0.492 315 A N 0.447 123.223 122.820 -0.073 0.000 1.902 315 A HA -0.119 4.182 4.320 -0.032 0.000 0.217 315 A C 2.123 179.509 177.584 -0.331 0.000 1.181 315 A CA 1.482 53.418 52.037 -0.168 0.000 0.623 315 A CB -0.609 18.251 19.000 -0.233 0.000 0.818 315 A HN 0.608 nan 8.150 nan 0.000 0.443 316 L N -1.043 119.850 121.223 -0.550 0.000 2.093 316 L HA -0.138 4.182 4.340 -0.032 0.000 0.208 316 L C 2.536 178.806 176.870 -0.999 0.000 1.085 316 L CA 0.992 55.279 54.840 -0.922 0.000 0.755 316 L CB -0.495 40.578 42.059 -1.643 0.000 0.904 316 L HN 0.506 nan 8.230 nan 0.000 0.435 317 L N 0.367 121.128 121.223 -0.770 0.000 1.990 317 L HA -0.277 4.044 4.340 -0.032 0.000 0.213 317 L C 2.702 179.465 176.870 -0.178 0.000 1.072 317 L CA 1.962 56.614 54.840 -0.312 0.000 0.755 317 L CB -0.544 41.501 42.059 -0.022 0.000 0.889 317 L HN 0.124 nan 8.230 nan 0.000 0.432 318 R N -1.136 119.261 120.500 -0.172 0.000 2.090 318 R HA -0.145 4.176 4.340 -0.032 0.000 0.228 318 R C 2.405 178.632 176.300 -0.122 0.000 1.110 318 R CA 1.659 57.685 56.100 -0.123 0.000 0.973 318 R CB -0.333 29.898 30.300 -0.115 0.000 0.869 318 R HN 0.518 nan 8.270 nan 0.000 0.440 319 M N 0.275 119.773 119.600 -0.171 0.000 2.117 319 M HA -0.161 4.299 4.480 -0.032 0.000 0.262 319 M C 1.857 178.104 176.300 -0.088 0.000 1.065 319 M CA 2.425 57.645 55.300 -0.133 0.000 1.114 319 M CB -0.058 32.437 32.600 -0.175 0.000 1.361 319 M HN 0.322 nan 8.290 nan 0.000 0.408 320 T N -3.741 110.757 114.554 -0.094 0.000 3.031 320 T HA 0.237 4.567 4.350 -0.032 0.000 0.254 320 T C 1.484 176.208 174.700 0.039 0.000 1.060 320 T CA 0.855 62.963 62.100 0.013 0.000 1.135 320 T CB -0.211 68.745 68.868 0.146 0.000 0.896 320 T HN 0.653 nan 8.240 nan 0.000 0.472 321 G N 1.642 110.455 108.800 0.021 0.000 2.155 321 G HA2 -0.239 3.701 3.960 -0.032 0.000 0.257 321 G HA3 -0.239 3.701 3.960 -0.032 0.000 0.257 321 G C -0.225 174.721 174.900 0.076 0.000 0.983 321 G CA 0.266 45.383 45.100 0.029 0.000 0.676 321 G HN 0.774 nan 8.290 nan 0.000 0.528 322 D N 0.512 121.013 120.400 0.168 0.000 2.316 322 D HA 0.510 5.130 4.640 -0.032 0.000 0.245 322 D C 1.835 178.243 176.300 0.180 0.000 1.171 322 D CA 0.332 54.434 54.000 0.171 0.000 0.856 322 D CB 0.845 41.769 40.800 0.208 0.000 1.090 322 D HN 0.238 nan 8.370 nan 0.000 0.476 323 S N 3.061 118.812 115.700 0.086 0.000 2.440 323 S HA -0.213 4.238 4.470 -0.032 0.000 0.238 323 S C 2.052 176.688 174.600 0.059 0.000 1.010 323 S CA 0.757 59.001 58.200 0.073 0.000 0.972 323 S CB -0.330 62.892 63.200 0.037 0.000 0.774 323 S HN 0.503 nan 8.310 nan 0.000 0.501 324 A N 1.083 123.895 122.820 -0.013 0.000 1.986 324 A HA -0.101 4.200 4.320 -0.032 0.000 0.220 324 A C 1.820 179.323 177.584 -0.136 0.000 1.171 324 A CA 1.444 53.406 52.037 -0.125 0.000 0.640 324 A CB -1.334 17.509 19.000 -0.262 0.000 0.811 324 A HN 0.796 nan 8.150 nan 0.000 0.451 325 W N -0.524 120.770 121.300 -0.011 0.000 2.465 325 W HA 0.108 4.771 4.660 0.006 0.000 0.268 325 W C 2.538 179.081 176.519 0.040 0.000 1.242 325 W CA 0.768 58.104 57.345 -0.014 0.000 1.248 325 W CB -0.045 29.387 29.460 -0.047 0.000 1.118 325 W HN 0.379 nan 8.180 nan 0.000 0.587 326 A N 0.411 123.386 122.820 0.259 0.000 2.121 326 A HA -0.125 4.176 4.320 -0.032 0.000 0.218 326 A C 1.950 179.635 177.584 0.169 0.000 1.154 326 A CA 0.961 53.139 52.037 0.235 0.000 0.679 326 A CB -0.515 18.612 19.000 0.211 0.000 0.795 326 A HN 0.277 nan 8.150 nan 0.000 0.458 327 R N -0.991 119.578 120.500 0.115 0.000 2.096 327 R HA -0.108 4.213 4.340 -0.032 0.000 0.235 327 R C 2.072 178.433 176.300 0.102 0.000 1.127 327 R CA 1.647 57.795 56.100 0.081 0.000 0.968 327 R CB -0.429 29.890 30.300 0.033 0.000 0.861 327 R HN 0.481 nan 8.270 nan 0.000 0.440 328 V N -0.510 119.489 119.914 0.143 0.000 2.825 328 V HA -0.118 3.983 4.120 -0.032 0.000 0.246 328 V C 1.993 178.196 176.094 0.181 0.000 1.068 328 V CA 1.143 63.548 62.300 0.176 0.000 1.088 328 V CB 0.050 32.024 31.823 0.251 0.000 0.733 328 V HN 0.385 nan 8.190 nan 0.000 0.468 329 C N 0.698 120.113 119.300 0.192 0.000 2.462 329 C HA -0.082 4.359 4.460 -0.032 0.000 0.278 329 C C 2.605 177.622 174.990 0.044 0.000 1.253 329 C CA 1.492 60.595 59.018 0.142 0.000 1.713 329 C CB -1.107 26.749 27.740 0.193 0.000 2.049 329 C HN 0.678 nan 8.230 nan 0.000 0.477 330 E N 1.032 121.259 120.200 0.045 0.000 2.085 330 E HA -0.167 4.163 4.350 -0.032 0.000 0.194 330 E C -0.511 176.094 176.600 0.008 0.000 0.994 330 E CA 1.532 57.920 56.400 -0.021 0.000 0.801 330 E CB -0.973 28.758 29.700 0.051 0.000 0.743 330 E HN 0.580 nan 8.360 nan 0.000 0.453 331 P HA -0.152 nan 4.420 nan 0.000 0.218 331 P C 1.329 178.664 177.300 0.059 0.000 1.149 331 P CA 1.170 64.300 63.100 0.050 0.000 0.817 331 P CB -0.007 31.728 31.700 0.059 0.000 0.785 332 L N -1.299 119.966 121.223 0.069 0.000 2.179 332 L HA -0.047 4.274 4.340 -0.032 0.000 0.208 332 L C 2.655 179.583 176.870 0.097 0.000 1.096 332 L CA 0.810 55.703 54.840 0.089 0.000 0.779 332 L CB -0.909 41.216 42.059 0.110 0.000 0.922 332 L HN -0.133 nan 8.230 nan 0.000 0.443 333 L N -0.220 121.030 121.223 0.044 0.000 2.265 333 L HA -0.212 4.109 4.340 -0.032 0.000 0.215 333 L C 1.952 178.936 176.870 0.189 0.000 1.117 333 L CA 1.002 55.892 54.840 0.083 0.000 0.782 333 L CB -0.436 41.532 42.059 -0.152 0.000 0.914 333 L HN 0.269 nan 8.230 nan 0.000 0.441 334 D N -0.340 120.117 120.400 0.094 0.000 2.277 334 D HA -0.016 4.605 4.640 -0.032 0.000 0.208 334 D C 0.994 177.324 176.300 0.049 0.000 0.962 334 D CA 0.194 54.233 54.000 0.064 0.000 0.865 334 D CB 0.180 41.003 40.800 0.037 0.000 0.939 334 D HN 0.093 nan 8.370 nan 0.000 0.510 335 L N 0.810 122.079 121.223 0.077 0.000 2.483 335 L HA 0.053 4.373 4.340 -0.032 0.000 0.275 335 L C 0.593 177.469 176.870 0.011 0.000 1.220 335 L CA -0.146 54.724 54.840 0.051 0.000 0.833 335 L CB 0.376 42.481 42.059 0.077 0.000 1.102 335 L HN -0.067 nan 8.230 nan 0.000 0.490 336 D N 2.233 122.615 120.400 -0.030 0.000 2.663 336 D HA 0.190 4.811 4.640 -0.032 0.000 0.243 336 D C 0.352 176.613 176.300 -0.065 0.000 1.218 336 D CA 0.220 54.166 54.000 -0.091 0.000 0.846 336 D CB -0.307 40.444 40.800 -0.081 0.000 1.014 336 D HN 0.249 nan 8.370 nan 0.000 0.476 337 L N 1.737 122.967 121.223 0.011 0.000 2.483 337 L HA 0.138 4.459 4.340 -0.032 0.000 0.276 337 L C -1.650 175.241 176.870 0.035 0.000 1.213 337 L CA -1.383 53.498 54.840 0.069 0.000 0.843 337 L CB -0.065 42.102 42.059 0.181 0.000 1.107 337 L HN -0.086 nan 8.230 nan 0.000 0.487 338 P HA -0.057 nan 4.420 nan 0.000 0.271 338 P C -1.217 176.203 177.300 0.200 0.000 1.216 338 P CA -0.244 62.870 63.100 0.022 0.000 0.771 338 P CB 0.428 32.119 31.700 -0.015 0.000 0.864 339 W N 3.429 124.660 121.300 -0.115 0.000 2.228 339 W HA 0.352 4.992 4.660 -0.033 0.000 0.364 339 W C 0.453 176.857 176.519 -0.191 0.000 0.917 339 W CA -0.189 57.070 57.345 -0.143 0.000 1.513 339 W CB -0.266 29.111 29.460 -0.138 0.000 1.494 339 W HN 0.409 nan 8.180 nan 0.000 0.346 340 E N 0.671 120.853 120.200 -0.030 0.000 2.370 340 E HA 0.501 4.832 4.350 -0.032 0.000 0.259 340 E C -0.204 176.226 176.600 -0.283 0.000 0.947 340 E CA -1.013 55.302 56.400 -0.142 0.000 0.809 340 E CB 1.956 31.593 29.700 -0.104 0.000 1.300 340 E HN 0.044 nan 8.360 nan 0.000 0.419 341 L N 1.586 122.626 121.223 -0.306 0.000 3.141 341 L HA 0.380 4.700 4.340 -0.032 0.000 0.263 341 L C 0.385 177.248 176.870 -0.012 0.000 1.312 341 L CA -0.221 54.335 54.840 -0.474 0.000 1.012 341 L CB 0.069 41.761 42.059 -0.612 0.000 1.408 341 L HN 0.774 nan 8.230 nan 0.000 0.559 342 G N 0.093 108.906 108.800 0.021 0.000 2.760 342 G HA2 -0.267 3.673 3.960 -0.032 0.000 0.246 342 G HA3 -0.267 3.673 3.960 -0.032 0.000 0.246 342 G C 0.194 175.117 174.900 0.039 0.000 1.359 342 G CA 0.035 45.197 45.100 0.104 0.000 0.861 342 G HN 0.469 nan 8.290 nan 0.000 0.541 343 W N -1.255 120.097 121.300 0.086 0.000 2.584 343 W HA 0.411 5.051 4.660 -0.033 0.000 0.264 343 W C 1.748 178.299 176.519 0.052 0.000 1.264 343 W CA 1.636 58.987 57.345 0.010 0.000 1.306 343 W CB -1.011 28.313 29.460 -0.226 0.000 1.110 343 W HN 1.107 nan 8.180 nan 0.000 0.606 344 A N 0.712 123.213 122.820 -0.532 0.000 1.956 344 A HA 0.032 4.333 4.320 -0.032 0.000 0.212 344 A C 0.611 178.113 177.584 -0.137 0.000 1.188 344 A CA 0.624 52.412 52.037 -0.414 0.000 0.675 344 A CB -0.483 17.968 19.000 -0.915 0.000 0.845 344 A HN 0.045 nan 8.150 nan 0.000 0.455 345 D N 1.082 121.387 120.400 -0.158 0.000 2.473 345 D HA 0.344 4.965 4.640 -0.032 0.000 0.226 345 D C 0.229 176.511 176.300 -0.031 0.000 1.089 345 D CA 0.046 54.007 54.000 -0.064 0.000 0.883 345 D CB 1.568 42.312 40.800 -0.093 0.000 1.029 345 D HN 0.228 nan 8.370 nan 0.000 0.517 346 V N -0.472 119.460 119.914 0.030 0.000 3.176 346 V HA 0.323 4.423 4.120 -0.032 0.000 0.332 346 V C 1.719 177.755 176.094 -0.096 0.000 1.414 346 V CA 0.038 62.345 62.300 0.013 0.000 1.133 346 V CB 0.554 32.456 31.823 0.132 0.000 1.088 346 V HN 0.360 nan 8.190 nan 0.000 0.473 347 A N 1.172 123.950 122.820 -0.070 0.000 1.978 347 A HA -0.123 4.178 4.320 -0.032 0.000 0.220 347 A C 1.963 179.304 177.584 -0.405 0.000 1.170 347 A CA 2.203 54.153 52.037 -0.145 0.000 0.636 347 A CB -0.423 18.573 19.000 -0.008 0.000 0.810 347 A HN 0.607 nan 8.150 nan 0.000 0.448 348 L N -1.508 119.457 121.223 -0.431 0.000 2.191 348 L HA -0.107 4.213 4.340 -0.032 0.000 0.212 348 L C 2.158 178.692 176.870 -0.559 0.000 1.103 348 L CA 1.652 56.171 54.840 -0.535 0.000 0.769 348 L CB -0.777 41.021 42.059 -0.436 0.000 0.908 348 L HN 0.473 nan 8.230 nan 0.000 0.438 349 Y N -0.339 119.609 120.300 -0.587 0.000 2.165 349 Y HA -0.142 4.388 4.550 -0.034 0.000 0.286 349 Y C 2.515 178.127 175.900 -0.480 0.000 1.155 349 Y CA 1.570 59.233 58.100 -0.729 0.000 1.164 349 Y CB -1.244 36.216 38.460 -1.667 0.000 0.978 349 Y HN 0.235 nan 8.280 nan 0.000 0.513 350 G N -0.672 107.985 108.800 -0.239 0.000 2.404 350 G HA2 -0.202 3.739 3.960 -0.032 0.000 0.215 350 G HA3 -0.202 3.739 3.960 -0.032 0.000 0.215 350 G C 1.858 176.700 174.900 -0.098 0.000 1.174 350 G CA 1.218 46.331 45.100 0.023 0.000 0.780 350 G HN 0.269 nan 8.290 nan 0.000 0.537 351 V N 1.281 120.988 119.914 -0.345 0.000 2.324 351 V HA -0.251 3.850 4.120 -0.032 0.000 0.250 351 V C 2.983 178.982 176.094 -0.158 0.000 1.060 351 V CA 1.960 64.007 62.300 -0.422 0.000 1.042 351 V CB -0.370 30.907 31.823 -0.910 0.000 0.650 351 V HN 0.281 nan 8.190 nan 0.000 0.450 352 M N -0.867 118.639 119.600 -0.157 0.000 2.132 352 M HA -0.120 4.341 4.480 -0.032 0.000 0.263 352 M C 2.001 178.303 176.300 0.003 0.000 1.065 352 M CA 1.521 56.785 55.300 -0.060 0.000 1.122 352 M CB -1.362 31.197 32.600 -0.070 0.000 1.365 352 M HN 0.359 nan 8.290 nan 0.000 0.411 353 D N -0.726 119.686 120.400 0.019 0.000 2.097 353 D HA -0.191 4.430 4.640 -0.032 0.000 0.195 353 D C 1.907 178.226 176.300 0.031 0.000 0.989 353 D CA 1.157 55.167 54.000 0.017 0.000 0.827 353 D CB -0.393 40.442 40.800 0.059 0.000 0.966 353 D HN 0.400 nan 8.370 nan 0.000 0.456 354 Y N 1.042 121.310 120.300 -0.054 0.000 2.097 354 Y HA -0.222 4.304 4.550 -0.039 0.000 0.282 354 Y C 2.061 177.940 175.900 -0.035 0.000 1.152 354 Y CA 1.216 59.290 58.100 -0.042 0.000 1.136 354 Y CB -0.296 38.132 38.460 -0.053 0.000 0.975 354 Y HN -0.111 nan 8.280 nan 0.000 0.498 355 L N 0.648 121.898 121.223 0.045 0.000 2.191 355 L HA -0.126 4.195 4.340 -0.032 0.000 0.212 355 L C 2.006 178.832 176.870 -0.073 0.000 1.103 355 L CA 1.623 56.448 54.840 -0.024 0.000 0.769 355 L CB -0.858 41.233 42.059 0.054 0.000 0.908 355 L HN 0.240 nan 8.230 nan 0.000 0.438 356 R N -1.662 118.805 120.500 -0.055 0.000 2.334 356 R HA 0.107 4.428 4.340 -0.032 0.000 0.220 356 R C 0.279 176.528 176.300 -0.084 0.000 0.917 356 R CA -0.063 56.005 56.100 -0.053 0.000 1.073 356 R CB -0.167 30.121 30.300 -0.020 0.000 1.056 356 R HN 0.177 nan 8.270 nan 0.000 0.506 357 T N 2.703 117.177 114.554 -0.133 0.000 2.897 357 T HA 0.188 4.519 4.350 -0.032 0.000 0.294 357 T C -2.315 172.306 174.700 -0.132 0.000 1.004 357 T CA -1.352 60.666 62.100 -0.137 0.000 1.106 357 T CB 1.242 70.001 68.868 -0.182 0.000 0.949 357 T HN -0.115 nan 8.240 nan 0.000 0.520 358 P HA 0.056 nan 4.420 nan 0.000 0.261 358 P C 0.665 177.912 177.300 -0.089 0.000 1.165 358 P CA 0.156 63.212 63.100 -0.073 0.000 0.759 358 P CB 0.447 32.117 31.700 -0.049 0.000 0.772 359 R N 3.277 123.730 120.500 -0.077 0.000 2.159 359 R HA -0.179 4.141 4.340 -0.032 0.000 0.237 359 R C 1.992 178.259 176.300 -0.054 0.000 1.131 359 R CA 1.661 57.716 56.100 -0.076 0.000 0.982 359 R CB -0.609 29.663 30.300 -0.046 0.000 0.868 359 R HN 0.516 nan 8.270 nan 0.000 0.453 360 A N 0.978 123.775 122.820 -0.038 0.000 2.019 360 A HA -0.067 4.234 4.320 -0.032 0.000 0.219 360 A C 2.213 179.786 177.584 -0.017 0.000 1.164 360 A CA 1.557 53.581 52.037 -0.021 0.000 0.644 360 A CB -0.367 18.624 19.000 -0.015 0.000 0.805 360 A HN 0.385 nan 8.150 nan 0.000 0.449 361 A N -0.637 122.165 122.820 -0.030 0.000 2.167 361 A HA 0.405 4.706 4.320 -0.032 0.000 0.214 361 A C 1.027 178.608 177.584 -0.006 0.000 1.151 361 A CA 1.021 53.051 52.037 -0.013 0.000 0.735 361 A CB -0.734 18.257 19.000 -0.015 0.000 0.802 361 A HN 1.122 nan 8.150 nan 0.000 0.467 362 V N -3.946 115.947 119.914 -0.036 0.000 3.074 362 V HA 0.680 4.780 4.120 -0.032 0.000 0.314 362 V C -0.237 175.886 176.094 0.049 0.000 1.117 362 V CA -0.864 61.434 62.300 -0.003 0.000 1.014 362 V CB 1.478 33.176 31.823 -0.209 0.000 1.057 362 V HN 0.046 nan 8.190 nan 0.000 0.438 363 S N 1.850 117.624 115.700 0.123 0.000 2.488 363 S HA 0.162 4.613 4.470 -0.032 0.000 0.278 363 S C 0.659 175.325 174.600 0.109 0.000 1.259 363 S CA -0.180 58.084 58.200 0.107 0.000 1.061 363 S CB 0.636 63.908 63.200 0.120 0.000 0.910 363 S HN 0.889 nan 8.310 nan 0.000 0.491 364 D N 2.408 122.850 120.400 0.069 0.000 2.178 364 D HA -0.138 4.482 4.640 -0.032 0.000 0.201 364 D C 1.582 177.928 176.300 0.077 0.000 0.980 364 D CA 1.109 55.146 54.000 0.062 0.000 0.842 364 D CB -0.031 40.792 40.800 0.039 0.000 0.948 364 D HN 0.705 nan 8.370 nan 0.000 0.472 365 D N 0.369 120.813 120.400 0.074 0.000 2.087 365 D HA -0.154 4.467 4.640 -0.032 0.000 0.192 365 D C 2.098 178.452 176.300 0.091 0.000 0.993 365 D CA 1.266 55.308 54.000 0.070 0.000 0.828 365 D CB -0.130 40.705 40.800 0.058 0.000 0.968 365 D HN -0.066 nan 8.370 nan 0.000 0.448 366 V N 0.348 120.330 119.914 0.114 0.000 2.332 366 V HA -0.229 3.872 4.120 -0.032 0.000 0.248 366 V C 2.720 178.926 176.094 0.187 0.000 1.055 366 V CA 2.100 64.478 62.300 0.130 0.000 1.038 366 V CB -0.694 31.214 31.823 0.141 0.000 0.651 366 V HN 0.256 nan 8.190 nan 0.000 0.450 367 R N 0.253 120.909 120.500 0.260 0.000 2.091 367 R HA -0.191 4.130 4.340 -0.032 0.000 0.238 367 R C 2.119 178.534 176.300 0.192 0.000 1.136 367 R CA 2.277 58.563 56.100 0.309 0.000 0.959 367 R CB -0.331 30.079 30.300 0.184 0.000 0.856 367 R HN 0.677 nan 8.270 nan 0.000 0.437 368 N N -0.259 118.519 118.700 0.130 0.000 2.270 368 N HA -0.116 4.604 4.740 -0.032 0.000 0.181 368 N C 1.492 177.060 175.510 0.097 0.000 1.016 368 N CA 0.994 54.103 53.050 0.097 0.000 0.870 368 N CB 0.106 38.635 38.487 0.070 0.000 0.979 368 N HN 0.199 nan 8.380 nan 0.000 0.431 369 K N 0.527 120.986 120.400 0.099 0.000 2.057 369 K HA -0.046 4.255 4.320 -0.032 0.000 0.206 369 K C 1.945 178.623 176.600 0.130 0.000 1.050 369 K CA 0.778 57.117 56.287 0.087 0.000 0.935 369 K CB -0.083 32.458 32.500 0.069 0.000 0.715 369 K HN -0.019 nan 8.250 nan 0.000 0.439 370 V N 1.864 121.891 119.914 0.187 0.000 2.287 370 V HA -0.287 3.814 4.120 -0.032 0.000 0.248 370 V C 2.085 178.346 176.094 0.279 0.000 1.053 370 V CA 1.771 64.254 62.300 0.305 0.000 1.027 370 V CB -0.359 31.589 31.823 0.209 0.000 0.646 370 V HN 0.287 nan 8.190 nan 0.000 0.447 371 K N -0.136 120.375 120.400 0.185 0.000 2.097 371 K HA -0.131 4.169 4.320 -0.032 0.000 0.206 371 K C 2.425 179.094 176.600 0.116 0.000 1.049 371 K CA 1.631 58.002 56.287 0.141 0.000 0.933 371 K CB -0.266 32.298 32.500 0.107 0.000 0.717 371 K HN 0.408 nan 8.250 nan 0.000 0.442 372 S N 0.694 116.451 115.700 0.095 0.000 2.356 372 S HA -0.166 4.285 4.470 -0.032 0.000 0.223 372 S C 1.892 176.515 174.600 0.038 0.000 1.032 372 S CA 1.156 59.391 58.200 0.058 0.000 1.005 372 S CB -0.184 63.039 63.200 0.039 0.000 0.867 372 S HN 0.313 nan 8.310 nan 0.000 0.449 373 R N 0.615 121.138 120.500 0.038 0.000 2.073 373 R HA -0.074 4.246 4.340 -0.032 0.000 0.234 373 R C 2.324 178.627 176.300 0.005 0.000 1.134 373 R CA 1.183 57.244 56.100 -0.065 0.000 0.952 373 R CB -0.501 29.630 30.300 -0.281 0.000 0.850 373 R HN 0.317 nan 8.270 nan 0.000 0.433 374 L N 1.263 122.602 121.223 0.193 0.000 2.013 374 L HA -0.199 4.122 4.340 -0.032 0.000 0.212 374 L C 2.117 179.007 176.870 0.033 0.000 1.073 374 L CA 1.629 56.569 54.840 0.166 0.000 0.753 374 L CB -0.775 41.384 42.059 0.167 0.000 0.890 374 L HN 0.309 nan 8.230 nan 0.000 0.432 375 L N -0.449 120.802 121.223 0.047 0.000 2.017 375 L HA -0.178 4.143 4.340 -0.032 0.000 0.208 375 L C 2.690 179.578 176.870 0.030 0.000 1.073 375 L CA 1.680 56.551 54.840 0.051 0.000 0.745 375 L CB -0.638 41.463 42.059 0.069 0.000 0.894 375 L HN 0.249 nan 8.230 nan 0.000 0.432 376 R N -0.518 119.982 120.500 -0.001 0.000 2.081 376 R HA -0.137 4.184 4.340 -0.032 0.000 0.235 376 R C 2.105 178.370 176.300 -0.059 0.000 1.131 376 R CA 1.443 57.529 56.100 -0.024 0.000 0.960 376 R CB -0.442 29.827 30.300 -0.051 0.000 0.856 376 R HN 0.492 nan 8.270 nan 0.000 0.436 377 E N 0.950 121.094 120.200 -0.093 0.000 2.058 377 E HA -0.192 4.139 4.350 -0.032 0.000 0.194 377 E C 2.192 178.679 176.600 -0.189 0.000 0.997 377 E CA 1.100 57.422 56.400 -0.132 0.000 0.801 377 E CB -0.210 29.419 29.700 -0.118 0.000 0.746 377 E HN 0.363 nan 8.360 nan 0.000 0.450 378 L N 1.169 122.237 121.223 -0.259 0.000 2.056 378 L HA -0.191 4.130 4.340 -0.032 0.000 0.207 378 L C 2.158 178.856 176.870 -0.286 0.000 1.078 378 L CA 0.999 55.528 54.840 -0.518 0.000 0.749 378 L CB -0.416 41.284 42.059 -0.598 0.000 0.901 378 L HN -0.000 nan 8.230 nan 0.000 0.433 379 D N 0.326 120.705 120.400 -0.036 0.000 2.123 379 D HA -0.185 4.436 4.640 -0.032 0.000 0.196 379 D C 2.218 178.549 176.300 0.051 0.000 0.992 379 D CA 1.593 55.667 54.000 0.123 0.000 0.833 379 D CB -0.041 40.842 40.800 0.138 0.000 0.954 379 D HN 0.314 nan 8.370 nan 0.000 0.455 380 A N 0.602 123.416 122.820 -0.010 0.000 1.877 380 A HA -0.134 4.166 4.320 -0.032 0.000 0.216 380 A C 2.437 180.016 177.584 -0.008 0.000 1.186 380 A CA 0.991 53.018 52.037 -0.016 0.000 0.620 380 A CB -0.834 18.137 19.000 -0.048 0.000 0.822 380 A HN 0.222 nan 8.150 nan 0.000 0.443 381 L N -0.774 120.432 121.223 -0.028 0.000 2.042 381 L HA -0.224 4.097 4.340 -0.032 0.000 0.210 381 L C 3.104 180.042 176.870 0.114 0.000 1.076 381 L CA 1.095 55.954 54.840 0.032 0.000 0.749 381 L CB -0.582 41.493 42.059 0.026 0.000 0.893 381 L HN 0.455 nan 8.230 nan 0.000 0.432 382 A N 0.001 122.916 122.820 0.159 0.000 1.933 382 A HA -0.188 4.113 4.320 -0.032 0.000 0.218 382 A C 2.534 180.162 177.584 0.074 0.000 1.175 382 A CA 1.765 53.866 52.037 0.107 0.000 0.628 382 A CB -0.651 18.421 19.000 0.119 0.000 0.814 382 A HN 0.420 nan 8.150 nan 0.000 0.444 383 A N -0.462 122.401 122.820 0.071 0.000 1.902 383 A HA -0.128 4.173 4.320 -0.032 0.000 0.217 383 A C 2.248 179.859 177.584 0.045 0.000 1.181 383 A CA 1.794 53.863 52.037 0.054 0.000 0.623 383 A CB -0.567 18.459 19.000 0.043 0.000 0.818 383 A HN 0.532 nan 8.150 nan 0.000 0.443 384 M N -0.460 119.162 119.600 0.037 0.000 2.108 384 M HA -0.209 4.251 4.480 -0.032 0.000 0.261 384 M C 2.496 178.831 176.300 0.058 0.000 1.066 384 M CA 1.611 56.934 55.300 0.040 0.000 1.107 384 M CB -0.458 32.148 32.600 0.009 0.000 1.356 384 M HN 0.497 nan 8.290 nan 0.000 0.406 385 A N 0.019 122.856 122.820 0.028 0.000 1.930 385 A HA -0.141 4.159 4.320 -0.032 0.000 0.217 385 A C 1.963 179.582 177.584 0.058 0.000 1.175 385 A CA 1.406 53.453 52.037 0.016 0.000 0.627 385 A CB -0.574 18.396 19.000 -0.049 0.000 0.815 385 A HN 0.503 nan 8.150 nan 0.000 0.443 386 E N 0.210 120.441 120.200 0.051 0.000 2.077 386 E HA -0.156 4.175 4.350 -0.032 0.000 0.193 386 E C 2.240 178.875 176.600 0.058 0.000 0.989 386 E CA 1.576 58.006 56.400 0.050 0.000 0.800 386 E CB -0.232 29.494 29.700 0.044 0.000 0.746 386 E HN 0.755 nan 8.360 nan 0.000 0.452 387 S N -0.200 115.541 115.700 0.067 0.000 2.527 387 S HA -0.087 4.364 4.470 -0.032 0.000 0.222 387 S C 0.603 175.246 174.600 0.071 0.000 0.985 387 S CA 0.039 58.274 58.200 0.057 0.000 0.921 387 S CB -0.195 63.034 63.200 0.049 0.000 0.772 387 S HN 0.212 nan 8.310 nan 0.000 0.529 388 H N 2.756 121.839 119.070 0.023 0.000 2.548 388 H HA 0.349 4.886 4.556 -0.032 0.000 0.331 388 H C -1.454 173.882 175.328 0.014 0.000 1.093 388 H CA -1.572 54.495 56.048 0.032 0.000 1.367 388 H CB 1.370 31.152 29.762 0.034 0.000 1.455 388 H HN 0.000 nan 8.280 nan 0.000 0.519 389 P HA -0.177 nan 4.420 nan 0.000 0.217 389 P C 0.482 177.691 177.300 -0.152 0.000 1.150 389 P CA 1.288 64.290 63.100 -0.164 0.000 0.832 389 P CB 0.150 31.633 31.700 -0.362 0.000 0.787 390 F N -0.579 119.423 119.950 0.086 0.000 2.773 390 F HA 0.369 4.876 4.527 -0.032 0.000 0.304 390 F C 1.727 177.588 175.800 0.101 0.000 1.129 390 F CA 0.551 58.507 58.000 -0.074 0.000 1.378 390 F CB -0.867 37.862 39.000 -0.451 0.000 1.095 390 F HN 0.003 nan 8.300 nan 0.000 0.565 391 G N 1.916 110.878 108.800 0.270 0.000 2.225 391 G HA2 -0.327 3.614 3.960 -0.032 0.000 0.267 391 G HA3 -0.327 3.614 3.960 -0.032 0.000 0.267 391 G C 0.271 175.164 174.900 -0.012 0.000 1.024 391 G CA 0.494 45.676 45.100 0.137 0.000 0.784 391 G HN 0.546 nan 8.290 nan 0.000 0.507 392 I N -2.321 118.148 120.570 -0.168 0.000 2.437 392 I HA 0.640 4.791 4.170 -0.032 0.000 0.298 392 I C -2.036 173.879 176.117 -0.335 0.000 0.984 392 I CA -3.300 57.797 61.300 -0.338 0.000 1.214 392 I CB 1.944 39.611 38.000 -0.555 0.000 1.365 392 I HN -0.121 nan 8.210 nan 0.000 0.469 393 P HA 0.238 nan 4.420 nan 0.000 0.237 393 P C -1.048 176.119 177.300 -0.221 0.000 1.788 393 P CA 0.238 63.247 63.100 -0.153 0.000 1.061 393 P CB 0.143 31.814 31.700 -0.049 0.000 1.967 394 M N 1.845 121.298 119.600 -0.244 0.000 2.470 394 M HA 0.422 4.883 4.480 -0.032 0.000 0.285 394 M C 0.104 176.419 176.300 0.026 0.000 1.213 394 M CA -0.576 54.564 55.300 -0.266 0.000 0.901 394 M CB 3.349 35.634 32.600 -0.525 0.000 1.718 394 M HN 0.087 nan 8.290 nan 0.000 0.469 395 R N 0.056 120.569 120.500 0.022 0.000 2.902 395 R HA 0.400 4.720 4.340 -0.032 0.000 0.258 395 R C 0.202 176.666 176.300 0.275 0.000 1.071 395 R CA -0.915 55.282 56.100 0.161 0.000 1.024 395 R CB 1.161 31.504 30.300 0.071 0.000 1.184 395 R HN 0.534 nan 8.270 nan 0.000 0.492 396 D N 1.178 121.748 120.400 0.283 0.000 2.158 396 D HA -0.195 4.426 4.640 -0.032 0.000 0.197 396 D C 1.274 177.738 176.300 0.273 0.000 0.995 396 D CA 1.633 55.823 54.000 0.316 0.000 0.846 396 D CB -0.061 40.817 40.800 0.131 0.000 0.941 396 D HN 0.603 nan 8.370 nan 0.000 0.456 397 D N 0.042 120.526 120.400 0.140 0.000 2.348 397 D HA -0.133 4.487 4.640 -0.032 0.000 0.216 397 D C 0.825 177.165 176.300 0.067 0.000 0.970 397 D CA 0.563 54.621 54.000 0.096 0.000 0.889 397 D CB -0.231 40.609 40.800 0.066 0.000 0.912 397 D HN 0.096 nan 8.370 nan 0.000 0.524 398 D N -0.260 120.120 120.400 -0.032 0.000 2.363 398 D HA -0.031 4.590 4.640 -0.032 0.000 0.220 398 D C -0.038 176.058 176.300 -0.339 0.000 0.994 398 D CA 0.133 53.999 54.000 -0.222 0.000 0.890 398 D CB -0.265 40.299 40.800 -0.394 0.000 0.906 398 D HN 0.260 nan 8.370 nan 0.000 0.530 399 F N 1.932 121.872 119.950 -0.017 0.000 2.567 399 F HA 0.229 4.737 4.527 -0.031 0.000 0.352 399 F C 1.080 176.903 175.800 0.037 0.000 1.229 399 F CA -0.525 57.458 58.000 -0.029 0.000 1.228 399 F CB -0.453 38.521 39.000 -0.043 0.000 1.568 399 F HN -0.149 nan 8.300 nan 0.000 0.634 400 I N -2.727 117.933 120.570 0.150 0.000 3.449 400 I HA 0.490 4.641 4.170 -0.032 0.000 0.294 400 I C -0.258 175.999 176.117 0.234 0.000 1.163 400 I CA -1.237 60.218 61.300 0.258 0.000 1.010 400 I CB 0.820 38.943 38.000 0.204 0.000 1.307 400 I HN 0.134 nan 8.210 nan 0.000 0.518 401 W N 2.738 124.102 121.300 0.107 0.000 2.443 401 W HA 0.233 4.874 4.660 -0.031 0.000 0.335 401 W C 0.973 177.528 176.519 0.060 0.000 1.382 401 W CA 1.281 58.691 57.345 0.109 0.000 1.305 401 W CB -0.268 29.304 29.460 0.186 0.000 1.283 401 W HN 0.933 nan 8.180 nan 0.000 0.567 402 G N 3.619 112.566 108.800 0.244 0.000 2.225 402 G HA2 -0.339 3.601 3.960 -0.032 0.000 0.264 402 G HA3 -0.339 3.601 3.960 -0.032 0.000 0.264 402 G C 1.104 175.815 174.900 -0.315 0.000 1.060 402 G CA 0.678 45.588 45.100 -0.316 0.000 0.833 402 G HN 1.005 nan 8.290 nan 0.000 0.498 403 S N -0.693 114.864 115.700 -0.239 0.000 2.399 403 S HA -0.165 4.286 4.470 -0.032 0.000 0.231 403 S C 1.769 176.161 174.600 -0.346 0.000 1.022 403 S CA 1.658 59.703 58.200 -0.257 0.000 0.983 403 S CB -0.422 62.693 63.200 -0.142 0.000 0.803 403 S HN 0.711 nan 8.310 nan 0.000 0.480 404 N N 0.862 119.317 118.700 -0.408 0.000 2.223 404 N HA -0.024 4.697 4.740 -0.032 0.000 0.185 404 N C 1.884 177.211 175.510 -0.305 0.000 1.016 404 N CA 1.442 54.270 53.050 -0.370 0.000 0.863 404 N CB -0.259 37.973 38.487 -0.426 0.000 0.983 404 N HN 0.434 nan 8.380 nan 0.000 0.429 405 M N 0.671 120.065 119.600 -0.343 0.000 2.156 405 M HA -0.094 4.367 4.480 -0.032 0.000 0.264 405 M C 1.748 177.993 176.300 -0.091 0.000 1.067 405 M CA 1.099 56.327 55.300 -0.121 0.000 1.131 405 M CB 0.088 32.721 32.600 0.055 0.000 1.368 405 M HN -0.033 nan 8.290 nan 0.000 0.416 406 V N 1.343 121.166 119.914 -0.151 0.000 2.282 406 V HA -0.308 3.793 4.120 -0.032 0.000 0.249 406 V C 2.421 178.385 176.094 -0.218 0.000 1.057 406 V CA 1.925 64.120 62.300 -0.176 0.000 1.032 406 V CB -1.079 30.602 31.823 -0.237 0.000 0.645 406 V HN 0.562 nan 8.190 nan 0.000 0.447 407 L N -0.334 120.717 121.223 -0.288 0.000 1.994 407 L HA -0.128 4.193 4.340 -0.032 0.000 0.208 407 L C 2.191 178.942 176.870 -0.198 0.000 1.071 407 L CA 1.916 56.573 54.840 -0.304 0.000 0.745 407 L CB -0.598 41.215 42.059 -0.408 0.000 0.892 407 L HN 0.210 nan 8.230 nan 0.000 0.431 408 L N -0.344 120.787 121.223 -0.153 0.000 2.093 408 L HA -0.159 4.162 4.340 -0.032 0.000 0.208 408 L C 2.313 179.150 176.870 -0.055 0.000 1.085 408 L CA 0.928 55.717 54.840 -0.085 0.000 0.755 408 L CB -0.811 41.221 42.059 -0.045 0.000 0.904 408 L HN 0.345 nan 8.230 nan 0.000 0.435 409 N N 0.398 119.057 118.700 -0.067 0.000 2.149 409 N HA -0.160 4.561 4.740 -0.032 0.000 0.188 409 N C 1.924 177.363 175.510 -0.119 0.000 1.019 409 N CA 1.210 54.201 53.050 -0.098 0.000 0.857 409 N CB -0.188 38.242 38.487 -0.095 0.000 0.997 409 N HN 0.299 nan 8.380 nan 0.000 0.426 410 R N 0.448 120.887 120.500 -0.101 0.000 2.075 410 R HA 0.071 4.392 4.340 -0.032 0.000 0.232 410 R C 2.186 178.528 176.300 0.068 0.000 1.126 410 R CA 1.192 57.255 56.100 -0.062 0.000 0.963 410 R CB -0.278 29.979 30.300 -0.073 0.000 0.858 410 R HN 0.176 nan 8.270 nan 0.000 0.435 411 A N 1.144 123.989 122.820 0.043 0.000 1.902 411 A HA -0.205 4.096 4.320 -0.032 0.000 0.217 411 A C 2.151 179.819 177.584 0.140 0.000 1.181 411 A CA 1.418 53.512 52.037 0.095 0.000 0.623 411 A CB -0.461 18.537 19.000 -0.003 0.000 0.818 411 A HN 0.312 nan 8.150 nan 0.000 0.443 412 M N -0.296 119.335 119.600 0.051 0.000 2.108 412 M HA -0.142 4.319 4.480 -0.032 0.000 0.261 412 M C 2.249 178.491 176.300 -0.096 0.000 1.066 412 M CA 1.720 57.005 55.300 -0.024 0.000 1.107 412 M CB -0.247 32.204 32.600 -0.248 0.000 1.356 412 M HN 0.425 nan 8.290 nan 0.000 0.406 413 A N 0.118 122.859 122.820 -0.131 0.000 1.883 413 A HA -0.196 4.105 4.320 -0.032 0.000 0.217 413 A C 1.805 179.309 177.584 -0.133 0.000 1.186 413 A CA 1.798 53.718 52.037 -0.196 0.000 0.624 413 A CB -1.330 17.513 19.000 -0.262 0.000 0.822 413 A HN 0.590 nan 8.150 nan 0.000 0.444 414 F N -0.066 119.838 119.950 -0.077 0.000 2.126 414 F HA -0.163 4.346 4.527 -0.031 0.000 0.299 414 F C 2.129 177.933 175.800 0.006 0.000 1.096 414 F CA 1.696 59.663 58.000 -0.054 0.000 1.255 414 F CB -0.366 38.578 39.000 -0.092 0.000 0.997 414 F HN 0.109 nan 8.300 nan 0.000 0.479 415 L N -1.018 120.362 121.223 0.261 0.000 2.131 415 L HA -0.152 4.168 4.340 -0.032 0.000 0.206 415 L C 2.292 179.353 176.870 0.319 0.000 1.087 415 L CA 0.664 55.696 54.840 0.320 0.000 0.767 415 L CB -0.652 41.703 42.059 0.493 0.000 0.917 415 L HN 0.144 nan 8.230 nan 0.000 0.441 416 L N -0.032 121.268 121.223 0.128 0.000 2.046 416 L HA -0.198 4.123 4.340 -0.032 0.000 0.208 416 L C 2.908 179.889 176.870 0.184 0.000 1.077 416 L CA 1.205 56.035 54.840 -0.016 0.000 0.747 416 L CB -0.699 41.226 42.059 -0.223 0.000 0.896 416 L HN 0.257 nan 8.230 nan 0.000 0.432 417 A N -0.136 122.746 122.820 0.103 0.000 1.978 417 A HA -0.231 4.070 4.320 -0.032 0.000 0.220 417 A C 2.091 179.769 177.584 0.156 0.000 1.170 417 A CA 1.653 53.749 52.037 0.098 0.000 0.636 417 A CB -0.453 18.569 19.000 0.037 0.000 0.810 417 A HN 0.501 nan 8.150 nan 0.000 0.448 418 E N -0.795 119.531 120.200 0.210 0.000 2.265 418 E HA -0.111 4.220 4.350 -0.032 0.000 0.196 418 E C 1.871 178.584 176.600 0.189 0.000 0.996 418 E CA 0.655 57.179 56.400 0.207 0.000 0.832 418 E CB -0.270 29.578 29.700 0.246 0.000 0.756 418 E HN 0.641 nan 8.360 nan 0.000 0.491 419 G N 1.109 110.059 108.800 0.250 0.000 2.712 419 G HA2 -0.076 3.864 3.960 -0.032 0.000 0.212 419 G HA3 -0.076 3.864 3.960 -0.032 0.000 0.212 419 G C 1.311 176.249 174.900 0.062 0.000 1.142 419 G CA 0.559 45.714 45.100 0.092 0.000 0.789 419 G HN 0.248 nan 8.290 nan 0.000 0.535 420 V N -3.647 116.326 119.914 0.099 0.000 2.988 420 V HA 0.653 4.754 4.120 -0.032 0.000 0.356 420 V C 1.180 177.309 176.094 0.059 0.000 1.380 420 V CA 0.016 62.354 62.300 0.062 0.000 1.184 420 V CB -0.297 31.565 31.823 0.065 0.000 1.204 420 V HN 0.782 nan 8.190 nan 0.000 0.530 421 G N 0.383 109.221 108.800 0.064 0.000 2.143 421 G HA2 -0.199 3.741 3.960 -0.032 0.000 0.248 421 G HA3 -0.199 3.741 3.960 -0.032 0.000 0.248 421 G C 0.020 174.961 174.900 0.069 0.000 0.991 421 G CA 0.177 45.313 45.100 0.059 0.000 0.689 421 G HN 1.073 nan 8.290 nan 0.000 0.522 422 V N 1.186 121.150 119.914 0.084 0.000 2.275 422 V HA 0.527 4.628 4.120 -0.032 0.000 0.272 422 V C -0.018 176.147 176.094 0.119 0.000 1.028 422 V CA -0.623 61.732 62.300 0.091 0.000 0.810 422 V CB 1.195 33.067 31.823 0.082 0.000 1.043 422 V HN 0.229 nan 8.190 nan 0.000 0.453 423 L N 4.970 126.261 121.223 0.114 0.000 2.314 423 L HA 0.428 4.749 4.340 -0.032 0.000 0.275 423 L C 0.252 177.207 176.870 0.143 0.000 1.068 423 L CA 0.034 54.953 54.840 0.132 0.000 0.894 423 L CB 0.193 42.314 42.059 0.104 0.000 1.275 423 L HN 0.519 nan 8.230 nan 0.000 0.432 424 H N 5.372 124.517 119.070 0.126 0.000 2.580 424 H HA 0.256 4.793 4.556 -0.033 0.000 0.322 424 H C -1.600 173.801 175.328 0.122 0.000 1.082 424 H CA -1.630 54.511 56.048 0.154 0.000 1.383 424 H CB 1.957 31.885 29.762 0.277 0.000 1.450 424 H HN 0.347 nan 8.280 nan 0.000 0.505 425 P HA -0.098 nan 4.420 nan 0.000 0.221 425 P C 0.823 178.212 177.300 0.148 0.000 1.145 425 P CA 1.055 64.189 63.100 0.057 0.000 0.795 425 P CB 0.154 31.826 31.700 -0.047 0.000 0.775 426 A N -0.292 122.731 122.820 0.339 0.000 2.208 426 A HA 0.337 4.637 4.320 -0.032 0.000 0.209 426 A C 2.296 179.724 177.584 -0.261 0.000 1.161 426 A CA 0.832 52.894 52.037 0.041 0.000 0.782 426 A CB -0.902 18.090 19.000 -0.013 0.000 0.816 426 A HN 0.183 nan 8.150 nan 0.000 0.477 427 A N -0.051 122.677 122.820 -0.154 0.000 1.873 427 A HA -0.248 4.053 4.320 -0.032 0.000 0.218 427 A C 2.026 179.398 177.584 -0.352 0.000 1.193 427 A CA 1.831 53.682 52.037 -0.309 0.000 0.629 427 A CB -0.880 18.030 19.000 -0.149 0.000 0.826 427 A HN 0.651 nan 8.150 nan 0.000 0.447 428 H N -0.933 118.122 119.070 -0.025 0.000 2.482 428 H HA -0.013 4.523 4.556 -0.032 0.000 0.286 428 H C 2.290 177.590 175.328 -0.047 0.000 1.017 428 H CA 1.563 57.602 56.048 -0.015 0.000 1.322 428 H CB -0.615 29.160 29.762 0.022 0.000 1.426 428 H HN 0.481 nan 8.280 nan 0.000 0.546 429 T N 1.005 115.572 114.554 0.022 0.000 2.708 429 T HA -0.100 4.231 4.350 -0.032 0.000 0.266 429 T C 2.441 177.093 174.700 -0.080 0.000 1.037 429 T CA 1.258 63.349 62.100 -0.015 0.000 1.146 429 T CB -0.446 68.406 68.868 -0.027 0.000 0.865 429 T HN 0.066 nan 8.240 nan 0.000 0.435 430 V N 1.762 121.542 119.914 -0.224 0.000 2.332 430 V HA -0.211 3.890 4.120 -0.032 0.000 0.248 430 V C 2.894 178.883 176.094 -0.175 0.000 1.055 430 V CA 1.782 63.909 62.300 -0.288 0.000 1.038 430 V CB -1.248 30.192 31.823 -0.638 0.000 0.651 430 V HN 0.552 nan 8.190 nan 0.000 0.450 431 A N -0.573 122.170 122.820 -0.128 0.000 1.877 431 A HA -0.315 3.986 4.320 -0.032 0.000 0.216 431 A C 2.181 179.729 177.584 -0.060 0.000 1.186 431 A CA 2.274 54.273 52.037 -0.063 0.000 0.620 431 A CB -0.583 18.419 19.000 0.004 0.000 0.822 431 A HN 0.542 nan 8.150 nan 0.000 0.443 432 Q N -0.438 119.358 119.800 -0.007 0.000 2.084 432 Q HA -0.139 4.182 4.340 -0.032 0.000 0.202 432 Q C 2.178 178.195 176.000 0.028 0.000 0.978 432 Q CA 1.647 57.470 55.803 0.034 0.000 0.844 432 Q CB -0.210 28.588 28.738 0.100 0.000 0.898 432 Q HN 0.494 nan 8.270 nan 0.000 0.426 433 R N -0.129 120.389 120.500 0.029 0.000 2.096 433 R HA -0.008 4.313 4.340 -0.032 0.000 0.235 433 R C 2.098 178.371 176.300 -0.045 0.000 1.127 433 R CA 1.195 57.329 56.100 0.056 0.000 0.968 433 R CB -1.098 29.231 30.300 0.048 0.000 0.861 433 R HN 0.408 nan 8.270 nan 0.000 0.440 434 A N 1.176 123.923 122.820 -0.121 0.000 1.877 434 A HA -0.092 4.209 4.320 -0.032 0.000 0.216 434 A C 2.404 179.839 177.584 -0.249 0.000 1.186 434 A CA 1.966 53.894 52.037 -0.181 0.000 0.620 434 A CB -0.674 18.216 19.000 -0.184 0.000 0.822 434 A HN 0.337 nan 8.150 nan 0.000 0.443 435 A N -0.006 122.613 122.820 -0.335 0.000 1.902 435 A HA -0.186 4.115 4.320 -0.032 0.000 0.217 435 A C 1.775 179.002 177.584 -0.596 0.000 1.181 435 A CA 1.911 53.548 52.037 -0.665 0.000 0.623 435 A CB -0.682 17.947 19.000 -0.619 0.000 0.818 435 A HN 0.473 nan 8.150 nan 0.000 0.443 436 D N -1.398 118.881 120.400 -0.202 0.000 2.106 436 D HA -0.214 4.406 4.640 -0.032 0.000 0.191 436 D C 1.701 177.921 176.300 -0.134 0.000 0.997 436 D CA 1.888 55.871 54.000 -0.028 0.000 0.834 436 D CB -0.609 40.310 40.800 0.198 0.000 0.956 436 D HN 0.641 nan 8.370 nan 0.000 0.448 437 Y N 0.851 120.969 120.300 -0.303 0.000 2.128 437 Y HA -0.209 4.321 4.550 -0.032 0.000 0.284 437 Y C 2.232 177.962 175.900 -0.284 0.000 1.154 437 Y CA 1.098 58.978 58.100 -0.367 0.000 1.149 437 Y CB -0.351 37.893 38.460 -0.361 0.000 0.976 437 Y HN -0.077 nan 8.280 nan 0.000 0.505 438 L N -0.748 120.334 121.223 -0.235 0.000 2.131 438 L HA -0.177 4.144 4.340 -0.032 0.000 0.210 438 L C 1.088 177.817 176.870 -0.235 0.000 1.092 438 L CA 1.692 56.359 54.840 -0.288 0.000 0.759 438 L CB -0.716 40.992 42.059 -0.585 0.000 0.903 438 L HN 0.217 nan 8.230 nan 0.000 0.435 439 F N -0.739 119.080 119.950 -0.217 0.000 2.639 439 F HA 0.495 5.002 4.527 -0.032 0.000 0.300 439 F C 1.658 177.272 175.800 -0.309 0.000 1.109 439 F CA -0.136 57.720 58.000 -0.239 0.000 1.335 439 F CB -0.195 38.686 39.000 -0.199 0.000 1.014 439 F HN 0.112 nan 8.300 nan 0.000 0.537 440 G N -0.357 108.291 108.800 -0.253 0.000 2.367 440 G HA2 -0.035 3.906 3.960 -0.032 0.000 0.181 440 G HA3 -0.035 3.906 3.960 -0.032 0.000 0.181 440 G C 0.536 175.271 174.900 -0.274 0.000 1.000 440 G CA -0.315 44.590 45.100 -0.325 0.000 0.693 440 G HN 0.467 nan 8.290 nan 0.000 0.480 441 A N 0.960 123.609 122.820 -0.284 0.000 3.037 441 A HA 0.638 4.939 4.320 -0.032 0.000 0.272 441 A C 0.445 177.431 177.584 -0.997 0.000 1.723 441 A CA 0.866 52.704 52.037 -0.331 0.000 1.413 441 A CB -1.117 17.733 19.000 -0.249 0.000 1.112 441 A HN 1.394 nan 8.150 nan 0.000 0.606 442 N N -0.858 117.249 118.700 -0.989 0.000 2.825 442 N HA 0.533 5.253 4.740 -0.032 0.000 0.253 442 N C -2.952 172.053 175.510 -0.842 0.000 1.426 442 N CA -1.740 50.487 53.050 -1.371 0.000 0.851 442 N CB 0.759 38.575 38.487 -1.118 0.000 1.470 442 N HN -0.164 nan 8.380 nan 0.000 0.517 443 P HA 0.020 nan 4.420 nan 0.000 0.222 443 P C 0.618 177.927 177.300 0.016 0.000 1.147 443 P CA 0.990 63.980 63.100 -0.184 0.000 0.790 443 P CB 0.223 31.945 31.700 0.038 0.000 0.780 444 L N -2.382 118.831 121.223 -0.017 0.000 2.591 444 L HA 0.254 4.575 4.340 -0.032 0.000 0.228 444 L C 1.379 178.327 176.870 0.131 0.000 1.133 444 L CA 0.444 55.333 54.840 0.082 0.000 0.880 444 L CB -1.040 41.029 42.059 0.017 0.000 1.033 444 L HN 0.072 nan 8.230 nan 0.000 0.450 445 G N 0.961 109.899 108.800 0.230 0.000 2.283 445 G HA2 -0.349 3.591 3.960 -0.032 0.000 0.280 445 G HA3 -0.349 3.591 3.960 -0.032 0.000 0.280 445 G C 0.137 174.942 174.900 -0.159 0.000 1.029 445 G CA 0.415 45.609 45.100 0.156 0.000 0.840 445 G HN 0.418 nan 8.290 nan 0.000 0.505 446 Q N -0.320 119.249 119.800 -0.386 0.000 2.314 446 Q HA 0.543 4.864 4.340 -0.032 0.000 0.259 446 Q C 0.416 175.922 176.000 -0.824 0.000 0.951 446 Q CA -0.698 54.734 55.803 -0.620 0.000 0.909 446 Q CB 0.859 29.075 28.738 -0.869 0.000 1.236 446 Q HN 0.573 nan 8.270 nan 0.000 0.444 447 C N 5.991 124.985 119.300 -0.508 0.000 2.566 447 C HA 0.265 4.706 4.460 -0.032 0.000 0.393 447 C C 0.079 174.833 174.990 -0.395 0.000 1.309 447 C CA -0.295 58.510 59.018 -0.355 0.000 1.801 447 C CB -0.945 26.706 27.740 -0.147 0.000 2.493 447 C HN 0.949 nan 8.230 nan 0.000 0.575 448 Y N 3.862 124.049 120.300 -0.188 0.000 2.495 448 Y HA 0.286 4.817 4.550 -0.032 0.000 0.293 448 Y C 0.820 176.647 175.900 -0.121 0.000 1.186 448 Y CA 0.105 58.063 58.100 -0.237 0.000 1.266 448 Y CB -0.103 38.160 38.460 -0.329 0.000 1.101 448 Y HN 0.486 nan 8.280 nan 0.000 0.517 449 V N 0.360 120.316 119.914 0.069 0.000 2.555 449 V HA 0.263 4.364 4.120 -0.032 0.000 0.302 449 V C 0.229 176.350 176.094 0.044 0.000 1.038 449 V CA -1.347 60.988 62.300 0.057 0.000 0.887 449 V CB 1.674 33.564 31.823 0.112 0.000 0.991 449 V HN 0.295 nan 8.190 nan 0.000 0.434 450 T N 0.660 115.206 114.554 -0.014 0.000 2.916 450 T HA 0.469 4.800 4.350 -0.032 0.000 0.303 450 T C 1.180 175.892 174.700 0.019 0.000 1.025 450 T CA 0.535 62.608 62.100 -0.045 0.000 1.142 450 T CB 0.960 69.747 68.868 -0.136 0.000 0.947 450 T HN 1.976 nan 8.240 nan 0.000 0.544 451 G N 1.481 110.232 108.800 -0.081 0.000 2.157 451 G HA2 -0.165 3.776 3.960 -0.032 0.000 0.239 451 G HA3 -0.165 3.776 3.960 -0.032 0.000 0.239 451 G C -0.175 174.368 174.900 -0.594 0.000 0.982 451 G CA -0.145 44.789 45.100 -0.277 0.000 0.650 451 G HN 0.742 nan 8.290 nan 0.000 0.527 452 F N -0.258 119.621 119.950 -0.117 0.000 2.629 452 F HA 0.675 5.183 4.527 -0.032 0.000 0.316 452 F C 0.939 176.646 175.800 -0.156 0.000 1.081 452 F CA 0.210 58.119 58.000 -0.152 0.000 0.954 452 F CB 1.774 40.635 39.000 -0.232 0.000 1.337 452 F HN 1.064 nan 8.300 nan 0.000 0.474 453 G N 1.597 110.413 108.800 0.027 0.000 2.796 453 G HA2 -0.203 3.738 3.960 -0.032 0.000 0.226 453 G HA3 -0.203 3.738 3.960 -0.032 0.000 0.226 453 G C -0.131 174.738 174.900 -0.050 0.000 1.381 453 G CA -0.171 44.904 45.100 -0.043 0.000 0.867 453 G HN 0.612 nan 8.290 nan 0.000 0.552 454 Q N -0.519 119.247 119.800 -0.057 0.000 2.376 454 Q HA 0.211 4.531 4.340 -0.032 0.000 0.206 454 Q C 1.963 177.929 176.000 -0.057 0.000 0.921 454 Q CA 1.249 57.034 55.803 -0.031 0.000 0.911 454 Q CB 0.419 29.174 28.738 0.028 0.000 1.032 454 Q HN 0.534 nan 8.270 nan 0.000 0.510 455 R N 1.385 121.829 120.500 -0.094 0.000 2.724 455 R HA 0.265 4.586 4.340 -0.032 0.000 0.284 455 R C -2.669 173.554 176.300 -0.127 0.000 1.481 455 R CA -1.995 54.044 56.100 -0.102 0.000 1.652 455 R CB 0.632 30.868 30.300 -0.107 0.000 1.175 455 R HN 0.016 nan 8.270 nan 0.000 0.613 456 P HA 0.014 nan 4.420 nan 0.000 0.274 456 P C -0.199 177.038 177.300 -0.105 0.000 1.256 456 P CA -0.282 62.755 63.100 -0.104 0.000 0.795 456 P CB 0.918 32.557 31.700 -0.101 0.000 1.038 457 V N 3.130 122.997 119.914 -0.079 0.000 2.521 457 V HA 0.073 4.174 4.120 -0.032 0.000 0.286 457 V C 1.837 177.851 176.094 -0.133 0.000 1.034 457 V CA 0.403 62.678 62.300 -0.041 0.000 1.045 457 V CB 0.062 31.900 31.823 0.026 0.000 0.974 457 V HN 0.542 nan 8.190 nan 0.000 0.480 458 R N 2.306 122.656 120.500 -0.249 0.000 2.287 458 R HA 0.191 4.511 4.340 -0.032 0.000 0.197 458 R C 0.123 176.043 176.300 -0.633 0.000 0.900 458 R CA 0.353 56.131 56.100 -0.537 0.000 1.052 458 R CB 0.422 30.228 30.300 -0.823 0.000 1.117 458 R HN 0.784 nan 8.270 nan 0.000 0.568 459 H N 1.303 120.368 119.070 -0.009 0.000 2.439 459 H HA 0.311 4.848 4.556 -0.032 0.000 0.230 459 H C -2.416 172.933 175.328 0.034 0.000 1.420 459 H CA -2.078 53.961 56.048 -0.016 0.000 1.305 459 H CB 0.993 30.704 29.762 -0.086 0.000 1.667 459 H HN 0.017 nan 8.280 nan 0.000 0.515 460 P HA -0.023 nan 4.420 nan 0.000 0.272 460 P C 0.221 177.643 177.300 0.204 0.000 1.223 460 P CA -0.153 63.041 63.100 0.158 0.000 0.784 460 P CB 1.165 32.918 31.700 0.088 0.000 0.923 461 H N 1.720 120.885 119.070 0.158 0.000 3.198 461 H HA 0.137 4.673 4.556 -0.032 0.000 0.255 461 H C -0.667 174.772 175.328 0.186 0.000 1.729 461 H CA 0.424 56.567 56.048 0.159 0.000 1.495 461 H CB -1.322 28.549 29.762 0.181 0.000 1.807 461 H HN 0.372 nan 8.280 nan 0.000 0.554 462 H N 2.383 121.395 119.070 -0.098 0.000 3.181 462 H HA 0.265 4.802 4.556 -0.032 0.000 0.331 462 H C 0.594 175.865 175.328 -0.095 0.000 0.988 462 H CA -0.789 55.217 56.048 -0.070 0.000 1.449 462 H CB 0.576 30.339 29.762 0.002 0.000 1.749 462 H HN 0.506 nan 8.280 nan 0.000 0.501 463 R N 3.618 123.829 120.500 -0.482 0.000 2.083 463 R HA -0.080 4.240 4.340 -0.032 0.000 0.237 463 R C -0.989 175.191 176.300 -0.200 0.000 1.137 463 R CA 1.893 57.792 56.100 -0.336 0.000 0.951 463 R CB -0.923 29.137 30.300 -0.400 0.000 0.851 463 R HN 0.484 nan 8.270 nan 0.000 0.434 464 P HA -0.071 nan 4.420 nan 0.000 0.218 464 P C 0.919 178.303 177.300 0.141 0.000 1.148 464 P CA 1.398 64.487 63.100 -0.019 0.000 0.822 464 P CB 0.135 31.845 31.700 0.018 0.000 0.784 465 S N -0.990 114.769 115.700 0.099 0.000 2.371 465 S HA -0.067 4.384 4.470 -0.032 0.000 0.224 465 S C 1.968 176.680 174.600 0.186 0.000 1.029 465 S CA 0.936 59.289 58.200 0.256 0.000 0.978 465 S CB -1.048 62.313 63.200 0.268 0.000 0.833 465 S HN -0.053 nan 8.310 nan 0.000 0.466 466 V N 2.123 122.087 119.914 0.083 0.000 2.343 466 V HA -0.166 3.935 4.120 -0.032 0.000 0.247 466 V C 2.612 178.744 176.094 0.063 0.000 1.051 466 V CA 1.674 64.006 62.300 0.054 0.000 1.036 466 V CB -1.125 30.687 31.823 -0.018 0.000 0.654 466 V HN 0.525 nan 8.190 nan 0.000 0.451 467 A N -0.199 122.659 122.820 0.063 0.000 1.972 467 A HA -0.255 4.046 4.320 -0.032 0.000 0.219 467 A C 1.968 179.602 177.584 0.083 0.000 1.169 467 A CA 2.271 54.348 52.037 0.067 0.000 0.635 467 A CB -0.432 18.610 19.000 0.070 0.000 0.810 467 A HN 0.642 nan 8.150 nan 0.000 0.446 468 D N -1.067 119.411 120.400 0.129 0.000 2.429 468 D HA 0.028 4.649 4.640 -0.032 0.000 0.242 468 D C -0.244 176.108 176.300 0.087 0.000 1.076 468 D CA 0.870 54.928 54.000 0.097 0.000 0.955 468 D CB 0.123 40.985 40.800 0.104 0.000 1.076 468 D HN 0.149 nan 8.370 nan 0.000 0.448 469 D N -0.522 119.970 120.400 0.154 0.000 2.575 469 D HA 0.164 4.785 4.640 -0.032 0.000 0.250 469 D C 0.338 176.752 176.300 0.191 0.000 1.279 469 D CA -0.443 53.652 54.000 0.158 0.000 0.925 469 D CB 2.011 42.912 40.800 0.168 0.000 1.261 469 D HN -0.034 nan 8.370 nan 0.000 0.567 470 V N 2.885 122.888 119.914 0.149 0.000 3.444 470 V HA -0.021 4.080 4.120 -0.032 0.000 0.271 470 V C 0.926 177.154 176.094 0.223 0.000 1.188 470 V CA 1.104 63.496 62.300 0.154 0.000 1.168 470 V CB -0.188 31.689 31.823 0.091 0.000 0.810 470 V HN 0.509 nan 8.190 nan 0.000 0.500 471 D N -1.433 119.066 120.400 0.165 0.000 2.423 471 D HA 0.116 4.736 4.640 -0.032 0.000 0.208 471 D C 0.278 176.417 176.300 -0.268 0.000 1.068 471 D CA 0.349 54.352 54.000 0.005 0.000 0.860 471 D CB 0.311 41.127 40.800 0.026 0.000 0.992 471 D HN 0.527 nan 8.370 nan 0.000 0.504 472 H N 0.678 119.789 119.070 0.067 0.000 2.854 472 H HA 0.285 4.822 4.556 -0.032 0.000 0.275 472 H C -2.285 173.185 175.328 0.236 0.000 1.198 472 H CA -1.403 54.706 56.048 0.101 0.000 1.489 472 H CB 1.746 31.569 29.762 0.101 0.000 1.519 472 H HN -0.030 nan 8.280 nan 0.000 0.503 473 P HA 0.079 nan 4.420 nan 0.000 0.279 473 P C -0.030 177.196 177.300 -0.125 0.000 1.276 473 P CA -0.645 62.535 63.100 0.133 0.000 0.801 473 P CB 1.359 33.053 31.700 -0.011 0.000 1.127 474 V N 2.610 122.128 119.914 -0.661 0.000 2.644 474 V HA 0.005 4.106 4.120 -0.032 0.000 0.305 474 V C -1.480 174.181 176.094 -0.721 0.000 1.053 474 V CA -0.337 61.125 62.300 -1.396 0.000 1.186 474 V CB -0.606 30.481 31.823 -1.226 0.000 0.895 474 V HN 0.645 nan 8.190 nan 0.000 0.490 475 P HA 0.296 nan 4.420 nan 0.000 0.276 475 P C 0.698 177.924 177.300 -0.122 0.000 1.252 475 P CA 0.612 63.571 63.100 -0.235 0.000 0.802 475 P CB 1.047 32.675 31.700 -0.120 0.000 1.035 476 G N 0.186 109.027 108.800 0.067 0.000 2.148 476 G HA2 -0.232 3.708 3.960 -0.032 0.000 0.254 476 G HA3 -0.232 3.708 3.960 -0.032 0.000 0.254 476 G C 0.078 174.844 174.900 -0.223 0.000 0.981 476 G CA -0.048 45.080 45.100 0.047 0.000 0.670 476 G HN 0.472 nan 8.290 nan 0.000 0.528 477 M N 0.906 120.273 119.600 -0.387 0.000 2.113 477 M HA 0.460 4.921 4.480 -0.032 0.000 0.352 477 M C 0.290 176.362 176.300 -0.380 0.000 1.170 477 M CA -0.588 54.276 55.300 -0.727 0.000 1.053 477 M CB 1.895 33.983 32.600 -0.854 0.000 1.601 477 M HN -0.107 nan 8.290 nan 0.000 0.459 478 V N 5.087 124.805 119.914 -0.328 0.000 2.432 478 V HA 0.185 4.286 4.120 -0.032 0.000 0.271 478 V C 0.417 176.492 176.094 -0.032 0.000 1.046 478 V CA -0.732 61.499 62.300 -0.115 0.000 0.945 478 V CB 0.880 32.670 31.823 -0.055 0.000 0.992 478 V HN 0.720 nan 8.190 nan 0.000 0.471 479 V N 3.237 123.145 119.914 -0.010 0.000 3.083 479 V HA 0.627 4.728 4.120 -0.032 0.000 0.306 479 V C 1.502 177.489 176.094 -0.177 0.000 1.077 479 V CA 0.425 62.758 62.300 0.053 0.000 1.073 479 V CB 0.743 32.645 31.823 0.131 0.000 1.081 479 V HN 0.781 nan 8.190 nan 0.000 0.474 480 G N 1.107 109.744 108.800 -0.273 0.000 2.469 480 G HA2 0.313 4.254 3.960 -0.032 0.000 0.219 480 G HA3 0.313 4.254 3.960 -0.032 0.000 0.219 480 G C 1.060 175.585 174.900 -0.627 0.000 1.150 480 G CA 1.026 45.539 45.100 -0.978 0.000 0.763 480 G HN 2.231 nan 8.290 nan 0.000 0.561 481 G N -0.896 107.661 108.800 -0.404 0.000 2.710 481 G HA2 0.031 3.972 3.960 -0.032 0.000 0.668 481 G HA3 0.031 3.972 3.960 -0.032 0.000 0.668 481 G C -2.843 171.947 174.900 -0.183 0.000 1.320 481 G CA -0.405 44.370 45.100 -0.543 0.000 0.860 481 G HN 0.392 nan 8.290 nan 0.000 0.538 482 P HA 0.178 nan 4.420 nan 0.000 0.262 482 P C -0.418 176.925 177.300 0.072 0.000 1.182 482 P CA 0.312 63.445 63.100 0.055 0.000 0.761 482 P CB 0.580 32.299 31.700 0.032 0.000 0.795 483 N N 2.882 121.599 118.700 0.030 0.000 2.577 483 N HA 0.090 4.811 4.740 -0.032 0.000 0.275 483 N C 1.101 176.624 175.510 0.021 0.000 1.091 483 N CA -0.796 52.282 53.050 0.048 0.000 0.843 483 N CB 0.821 39.277 38.487 -0.052 0.000 1.295 483 N HN 0.224 nan 8.380 nan 0.000 0.530 484 R N 2.325 122.831 120.500 0.012 0.000 2.293 484 R HA -0.030 4.291 4.340 -0.032 0.000 0.219 484 R C -0.094 176.077 176.300 -0.215 0.000 1.091 484 R CA 0.979 57.008 56.100 -0.120 0.000 1.004 484 R CB -0.306 29.897 30.300 -0.162 0.000 0.865 484 R HN 0.510 nan 8.270 nan 0.000 0.469 485 H N 1.332 120.415 119.070 0.022 0.000 2.539 485 H HA 0.179 4.716 4.556 -0.032 0.000 0.267 485 H C 0.469 175.789 175.328 -0.014 0.000 0.982 485 H CA 0.496 56.558 56.048 0.024 0.000 1.146 485 H CB 0.174 29.978 29.762 0.070 0.000 1.382 485 H HN 0.108 nan 8.280 nan 0.000 0.577 486 L N 1.523 122.751 121.223 0.009 0.000 3.713 486 L HA -0.277 4.044 4.340 -0.032 0.000 0.499 486 L C 0.096 176.919 176.870 -0.078 0.000 1.281 486 L CA 0.395 55.194 54.840 -0.069 0.000 0.796 486 L CB -1.449 40.575 42.059 -0.059 0.000 1.535 486 L HN 0.391 nan 8.230 nan 0.000 0.851 487 Q N 0.490 120.213 119.800 -0.128 0.000 2.225 487 Q HA 0.136 4.457 4.340 -0.032 0.000 0.222 487 Q C 0.171 176.038 176.000 -0.223 0.000 0.887 487 Q CA 0.341 56.096 55.803 -0.080 0.000 0.958 487 Q CB 0.226 28.996 28.738 0.053 0.000 1.058 487 Q HN 0.773 nan 8.270 nan 0.000 0.459 488 D N -2.986 117.203 120.400 -0.352 0.000 2.596 488 D HA -0.001 4.620 4.640 -0.032 0.000 0.262 488 D C 0.511 176.641 176.300 -0.283 0.000 1.210 488 D CA -0.779 52.938 54.000 -0.472 0.000 0.873 488 D CB 0.581 40.658 40.800 -1.204 0.000 1.408 488 D HN 0.030 nan 8.370 nan 0.000 0.441 489 E N 0.256 120.332 120.200 -0.207 0.000 2.110 489 E HA -0.198 4.132 4.350 -0.032 0.000 0.193 489 E C 1.455 177.943 176.600 -0.187 0.000 0.988 489 E CA 0.898 57.215 56.400 -0.137 0.000 0.804 489 E CB -0.231 29.424 29.700 -0.075 0.000 0.745 489 E HN 0.442 nan 8.360 nan 0.000 0.458 490 I N 1.805 122.215 120.570 -0.266 0.000 2.252 490 I HA -0.145 4.006 4.170 -0.032 0.000 0.245 490 I C 2.664 178.624 176.117 -0.262 0.000 1.102 490 I CA 1.268 62.380 61.300 -0.313 0.000 1.385 490 I CB -1.516 36.211 38.000 -0.455 0.000 1.064 490 I HN 0.242 nan 8.210 nan 0.000 0.414 491 A N 1.101 123.759 122.820 -0.269 0.000 1.873 491 A HA -0.175 4.125 4.320 -0.032 0.000 0.215 491 A C 2.496 179.987 177.584 -0.156 0.000 1.186 491 A CA 1.166 53.071 52.037 -0.219 0.000 0.616 491 A CB -0.560 18.291 19.000 -0.248 0.000 0.823 491 A HN 0.285 nan 8.150 nan 0.000 0.442 492 R N -0.527 119.888 120.500 -0.142 0.000 2.091 492 R HA -0.148 4.172 4.340 -0.032 0.000 0.238 492 R C 2.488 178.737 176.300 -0.086 0.000 1.136 492 R CA 1.324 57.368 56.100 -0.094 0.000 0.959 492 R CB -0.502 29.754 30.300 -0.073 0.000 0.856 492 R HN 0.531 nan 8.270 nan 0.000 0.437 493 A N 0.761 123.519 122.820 -0.102 0.000 1.877 493 A HA -0.159 4.142 4.320 -0.032 0.000 0.216 493 A C 1.943 179.475 177.584 -0.086 0.000 1.186 493 A CA 1.198 53.180 52.037 -0.090 0.000 0.620 493 A CB -0.098 18.838 19.000 -0.106 0.000 0.822 493 A HN 0.202 nan 8.150 nan 0.000 0.443 494 Q N -1.260 118.476 119.800 -0.107 0.000 2.378 494 Q HA 0.303 4.623 4.340 -0.032 0.000 0.216 494 Q C 1.265 177.219 176.000 -0.078 0.000 0.892 494 Q CA 0.528 56.275 55.803 -0.093 0.000 0.931 494 Q CB 0.435 29.103 28.738 -0.117 0.000 1.086 494 Q HN 0.673 nan 8.270 nan 0.000 0.528 495 L N -0.107 121.065 121.223 -0.084 0.000 2.858 495 L HA 0.423 4.744 4.340 -0.032 0.000 0.251 495 L C 0.533 177.368 176.870 -0.058 0.000 1.149 495 L CA -0.487 54.311 54.840 -0.070 0.000 0.955 495 L CB 0.486 42.494 42.059 -0.086 0.000 1.289 495 L HN -0.149 nan 8.230 nan 0.000 0.542 496 A N 0.448 123.235 122.820 -0.055 0.000 2.540 496 A HA 0.414 4.715 4.320 -0.032 0.000 0.239 496 A C 1.494 179.056 177.584 -0.036 0.000 1.061 496 A CA 0.911 52.922 52.037 -0.044 0.000 0.758 496 A CB -0.157 18.820 19.000 -0.038 0.000 0.991 496 A HN 0.615 nan 8.150 nan 0.000 0.502 497 G N 1.415 110.194 108.800 -0.034 0.000 2.205 497 G HA2 -0.247 3.694 3.960 -0.032 0.000 0.261 497 G HA3 -0.247 3.694 3.960 -0.032 0.000 0.261 497 G C 0.421 175.304 174.900 -0.028 0.000 0.980 497 G CA 0.712 45.795 45.100 -0.028 0.000 0.632 497 G HN 0.904 nan 8.290 nan 0.000 0.533 498 R N 1.654 122.134 120.500 -0.033 0.000 2.490 498 R HA 0.547 4.867 4.340 -0.032 0.000 0.278 498 R C -1.614 174.663 176.300 -0.039 0.000 1.069 498 R CA -1.425 54.657 56.100 -0.030 0.000 1.080 498 R CB 0.214 30.497 30.300 -0.028 0.000 1.030 498 R HN 0.240 nan 8.270 nan 0.000 0.491 499 P HA -0.018 nan 4.420 nan 0.000 0.270 499 P C -0.110 177.134 177.300 -0.094 0.000 1.227 499 P CA -0.030 63.039 63.100 -0.052 0.000 0.788 499 P CB 0.645 32.324 31.700 -0.036 0.000 0.926 500 A N 2.041 124.786 122.820 -0.124 0.000 1.873 500 A HA -0.231 4.070 4.320 -0.032 0.000 0.218 500 A C 2.219 179.595 177.584 -0.347 0.000 1.193 500 A CA 2.196 54.130 52.037 -0.171 0.000 0.629 500 A CB -1.290 17.651 19.000 -0.099 0.000 0.826 500 A HN 0.579 nan 8.150 nan 0.000 0.447 501 M N -0.906 118.368 119.600 -0.543 0.000 2.549 501 M HA -0.089 4.372 4.480 -0.032 0.000 0.260 501 M C 1.132 177.307 176.300 -0.208 0.000 1.076 501 M CA 1.071 56.015 55.300 -0.593 0.000 1.090 501 M CB -0.216 32.065 32.600 -0.531 0.000 1.418 501 M HN 0.478 nan 8.290 nan 0.000 0.486 502 E N 0.158 120.288 120.200 -0.116 0.000 2.474 502 E HA 0.156 4.486 4.350 -0.032 0.000 0.195 502 E C 0.635 177.244 176.600 0.015 0.000 1.039 502 E CA -0.290 56.102 56.400 -0.013 0.000 0.881 502 E CB 0.360 30.059 29.700 -0.003 0.000 0.970 502 E HN 0.309 nan 8.360 nan 0.000 0.486 503 A N 1.422 124.234 122.820 -0.014 0.000 3.033 503 A HA 0.085 4.386 4.320 -0.032 0.000 0.250 503 A C -0.676 176.939 177.584 0.052 0.000 1.633 503 A CA 0.091 52.123 52.037 -0.009 0.000 1.290 503 A CB -0.771 18.206 19.000 -0.039 0.000 1.048 503 A HN 0.287 nan 8.150 nan 0.000 0.648 504 Y N -0.679 119.596 120.300 -0.041 0.000 2.477 504 Y HA 0.690 5.220 4.550 -0.032 0.000 0.347 504 Y C -1.091 174.807 175.900 -0.002 0.000 0.981 504 Y CA -1.591 56.501 58.100 -0.013 0.000 1.033 504 Y CB 1.374 39.885 38.460 0.086 0.000 1.245 504 Y HN 0.252 nan 8.280 nan 0.000 0.455 505 I N 5.144 125.164 120.570 -0.917 0.000 2.569 505 I HA 0.262 4.413 4.170 -0.032 0.000 0.290 505 I C -1.301 174.246 176.117 -0.950 0.000 1.088 505 I CA -0.693 60.152 61.300 -0.759 0.000 1.047 505 I CB 1.508 39.313 38.000 -0.326 0.000 1.237 505 I HN 0.732 nan 8.210 nan 0.000 0.421 506 D N 7.076 127.138 120.400 -0.563 0.000 2.545 506 D HA 0.094 4.715 4.640 -0.032 0.000 0.227 506 D C -0.838 175.499 176.300 0.062 0.000 1.150 506 D CA 0.706 54.636 54.000 -0.117 0.000 1.046 506 D CB -0.096 40.787 40.800 0.139 0.000 1.098 506 D HN 0.391 nan 8.370 nan 0.000 0.502 507 H N 1.576 120.595 119.070 -0.086 0.000 2.679 507 H HA 0.094 4.631 4.556 -0.032 0.000 0.360 507 H C 0.800 176.144 175.328 0.026 0.000 1.105 507 H CA -0.351 55.667 56.048 -0.049 0.000 1.196 507 H CB 1.691 31.382 29.762 -0.118 0.000 1.636 507 H HN 0.307 nan 8.280 nan 0.000 0.531 508 Q N 2.006 121.785 119.800 -0.036 0.000 2.291 508 Q HA -0.096 4.224 4.340 -0.032 0.000 0.206 508 Q C -0.145 176.076 176.000 0.367 0.000 0.976 508 Q CA 1.696 57.582 55.803 0.138 0.000 0.875 508 Q CB 0.308 29.053 28.738 0.011 0.000 0.927 508 Q HN 0.421 nan 8.270 nan 0.000 0.450 509 D N 0.604 121.301 120.400 0.495 0.000 2.354 509 D HA 0.011 4.632 4.640 -0.032 0.000 0.209 509 D C 0.084 176.425 176.300 0.068 0.000 1.015 509 D CA 0.332 54.553 54.000 0.367 0.000 0.867 509 D CB 0.335 41.289 40.800 0.256 0.000 0.933 509 D HN 0.126 nan 8.370 nan 0.000 0.520 510 S N 1.106 116.800 115.700 -0.010 0.000 3.517 510 S HA 0.001 4.451 4.470 -0.032 0.000 0.284 510 S C 0.997 175.414 174.600 -0.305 0.000 1.260 510 S CA -0.605 57.419 58.200 -0.293 0.000 0.975 510 S CB -0.688 62.362 63.200 -0.251 0.000 1.540 510 S HN 0.200 nan 8.310 nan 0.000 0.506 511 Y N 2.334 122.409 120.300 -0.375 0.000 2.516 511 Y HA 0.104 4.634 4.550 -0.032 0.000 0.291 511 Y C 2.076 177.761 175.900 -0.360 0.000 1.131 511 Y CA 0.696 58.513 58.100 -0.472 0.000 1.281 511 Y CB -0.926 37.052 38.460 -0.805 0.000 1.013 511 Y HN 0.630 nan 8.280 nan 0.000 0.554 512 S N -0.483 114.732 115.700 -0.808 0.000 2.558 512 S HA -0.014 4.437 4.470 -0.032 0.000 0.217 512 S C 1.493 175.589 174.600 -0.840 0.000 0.975 512 S CA 0.626 57.996 58.200 -1.383 0.000 0.912 512 S CB -0.697 61.669 63.200 -1.390 0.000 0.776 512 S HN 0.649 nan 8.310 nan 0.000 0.526 513 T N -2.786 111.518 114.554 -0.416 0.000 2.969 513 T HA 0.335 4.666 4.350 -0.032 0.000 0.258 513 T C 0.709 175.461 174.700 0.085 0.000 0.962 513 T CA -0.051 61.960 62.100 -0.148 0.000 0.903 513 T CB -0.203 68.609 68.868 -0.093 0.000 1.177 513 T HN 0.277 nan 8.240 nan 0.000 0.511 514 N N 1.017 119.762 118.700 0.076 0.000 2.305 514 N HA 0.305 5.026 4.740 -0.032 0.000 0.248 514 N C -0.438 175.243 175.510 0.284 0.000 1.290 514 N CA -0.278 52.907 53.050 0.226 0.000 0.873 514 N CB 0.898 39.465 38.487 0.133 0.000 1.261 514 N HN 0.635 nan 8.380 nan 0.000 0.504 515 E N -0.394 120.022 120.200 0.360 0.000 2.322 515 E HA 0.430 4.761 4.350 -0.032 0.000 0.257 515 E C -0.316 176.590 176.600 0.510 0.000 1.155 515 E CA -0.747 55.929 56.400 0.460 0.000 0.936 515 E CB 1.101 31.106 29.700 0.509 0.000 1.130 515 E HN 0.010 nan 8.360 nan 0.000 0.465 516 V N -1.887 118.205 119.914 0.296 0.000 3.113 516 V HA 0.998 5.099 4.120 -0.032 0.000 0.316 516 V C -0.914 175.061 176.094 -0.198 0.000 1.125 516 V CA -0.410 61.961 62.300 0.118 0.000 1.026 516 V CB 1.305 33.027 31.823 -0.167 0.000 1.080 516 V HN 0.810 nan 8.190 nan 0.000 0.444 517 A N 0.867 123.480 122.820 -0.345 0.000 2.582 517 A HA 0.663 4.963 4.320 -0.032 0.000 0.297 517 A C 0.284 177.650 177.584 -0.364 0.000 1.059 517 A CA 0.011 51.617 52.037 -0.719 0.000 0.705 517 A CB 1.297 18.995 19.000 -2.170 0.000 1.279 517 A HN 2.260 nan 8.150 nan 0.000 0.404 518 V N -0.171 119.617 119.914 -0.210 0.000 2.469 518 V HA -0.241 3.860 4.120 -0.032 0.000 0.251 518 V C 1.582 177.737 176.094 0.102 0.000 1.064 518 V CA 2.545 64.771 62.300 -0.123 0.000 1.066 518 V CB -1.617 30.208 31.823 0.003 0.000 0.667 518 V HN 1.408 nan 8.190 nan 0.000 0.461 519 Y N -3.243 117.094 120.300 0.061 0.000 2.471 519 Y HA 0.357 4.888 4.550 -0.032 0.000 0.286 519 Y C 1.688 177.782 175.900 0.323 0.000 1.188 519 Y CA -0.643 57.566 58.100 0.182 0.000 1.286 519 Y CB -0.588 37.963 38.460 0.152 0.000 1.072 519 Y HN 0.225 nan 8.280 nan 0.000 0.517 520 W N 0.496 121.729 121.300 -0.110 0.000 2.735 520 W HA 0.222 4.862 4.660 -0.033 0.000 0.264 520 W C 1.498 178.007 176.519 -0.016 0.000 1.233 520 W CA -0.339 56.975 57.345 -0.051 0.000 1.408 520 W CB -0.817 28.556 29.460 -0.145 0.000 1.038 520 W HN 0.186 nan 8.180 nan 0.000 0.603 521 N N 0.630 119.429 118.700 0.164 0.000 2.270 521 N HA -0.132 4.589 4.740 -0.032 0.000 0.181 521 N C 1.875 177.586 175.510 0.335 0.000 1.016 521 N CA 1.751 54.880 53.050 0.132 0.000 0.870 521 N CB 0.021 38.465 38.487 -0.071 0.000 0.979 521 N HN 0.027 nan 8.380 nan 0.000 0.431 522 S N 1.309 117.281 115.700 0.454 0.000 2.368 522 S HA 0.009 4.460 4.470 -0.032 0.000 0.224 522 S C -0.855 173.946 174.600 0.334 0.000 1.029 522 S CA 0.600 59.079 58.200 0.466 0.000 0.988 522 S CB -1.316 62.151 63.200 0.446 0.000 0.838 522 S HN 0.191 nan 8.310 nan 0.000 0.462 523 P HA 0.111 nan 4.420 nan 0.000 0.219 523 P C 1.573 179.002 177.300 0.216 0.000 1.150 523 P CA 1.592 64.823 63.100 0.219 0.000 0.814 523 P CB -0.267 31.525 31.700 0.154 0.000 0.787 524 A N 0.080 123.005 122.820 0.175 0.000 1.930 524 A HA -0.095 4.206 4.320 -0.032 0.000 0.217 524 A C 2.452 180.123 177.584 0.144 0.000 1.175 524 A CA 1.531 53.633 52.037 0.107 0.000 0.627 524 A CB -1.636 17.401 19.000 0.062 0.000 0.815 524 A HN 0.045 nan 8.150 nan 0.000 0.443 525 V N -1.243 118.802 119.914 0.219 0.000 2.295 525 V HA -0.256 3.845 4.120 -0.032 0.000 0.246 525 V C 2.244 178.469 176.094 0.218 0.000 1.049 525 V CA 2.213 64.642 62.300 0.216 0.000 1.024 525 V CB -0.892 31.088 31.823 0.262 0.000 0.648 525 V HN 0.645 nan 8.190 nan 0.000 0.447 526 F N 0.475 120.513 119.950 0.148 0.000 2.069 526 F HA -0.204 4.303 4.527 -0.032 0.000 0.298 526 F C 2.251 178.124 175.800 0.122 0.000 1.113 526 F CA 2.139 60.256 58.000 0.194 0.000 1.214 526 F CB -0.262 38.839 39.000 0.168 0.000 0.978 526 F HN -0.051 nan 8.300 nan 0.000 0.474 527 V N 0.639 120.722 119.914 0.282 0.000 2.358 527 V HA -0.301 3.800 4.120 -0.032 0.000 0.246 527 V C 2.392 178.427 176.094 -0.098 0.000 1.047 527 V CA 1.510 63.866 62.300 0.094 0.000 1.035 527 V CB -0.618 31.251 31.823 0.076 0.000 0.658 527 V HN 0.325 nan 8.190 nan 0.000 0.452 528 I N 0.662 121.192 120.570 -0.066 0.000 2.315 528 I HA -0.173 3.978 4.170 -0.032 0.000 0.248 528 I C 2.713 178.773 176.117 -0.094 0.000 1.117 528 I CA 1.794 63.048 61.300 -0.077 0.000 1.404 528 I CB -1.655 36.340 38.000 -0.009 0.000 1.071 528 I HN 0.303 nan 8.210 nan 0.000 0.419 529 A N 1.089 123.828 122.820 -0.135 0.000 1.908 529 A HA -0.158 4.142 4.320 -0.032 0.000 0.218 529 A C 2.607 179.812 177.584 -0.631 0.000 1.181 529 A CA 2.072 53.981 52.037 -0.213 0.000 0.627 529 A CB -0.759 18.202 19.000 -0.064 0.000 0.818 529 A HN 0.412 nan 8.150 nan 0.000 0.445 530 A N -0.249 121.908 122.820 -1.104 0.000 1.883 530 A HA -0.089 4.211 4.320 -0.032 0.000 0.217 530 A C 2.194 179.458 177.584 -0.533 0.000 1.186 530 A CA 1.617 52.774 52.037 -1.467 0.000 0.624 530 A CB -0.642 17.789 19.000 -0.949 0.000 0.822 530 A HN 0.483 nan 8.150 nan 0.000 0.444 531 L N -1.107 119.965 121.223 -0.251 0.000 2.056 531 L HA -0.145 4.175 4.340 -0.032 0.000 0.207 531 L C 2.435 179.314 176.870 0.016 0.000 1.078 531 L CA 0.508 55.329 54.840 -0.033 0.000 0.749 531 L CB -0.475 41.633 42.059 0.081 0.000 0.901 531 L HN 0.276 nan 8.230 nan 0.000 0.433 532 L N 0.220 121.450 121.223 0.012 0.000 2.079 532 L HA -0.166 4.155 4.340 -0.032 0.000 0.210 532 L C 1.378 178.244 176.870 -0.006 0.000 1.081 532 L CA 1.364 56.223 54.840 0.031 0.000 0.752 532 L CB -0.870 41.220 42.059 0.052 0.000 0.896 532 L HN 0.203 nan 8.230 nan 0.000 0.433 533 E N 0.148 120.308 120.200 -0.068 0.000 2.127 533 E HA 0.246 4.577 4.350 -0.032 0.000 0.295 533 E C 0.214 176.799 176.600 -0.025 0.000 1.155 533 E CA -0.029 56.361 56.400 -0.016 0.000 1.201 533 E CB -0.145 29.561 29.700 0.011 0.000 1.083 533 E HN 0.358 nan 8.360 nan 0.000 0.472 534 A N 0.000 122.812 122.820 -0.013 0.000 2.254 534 A HA 0.000 4.301 4.320 -0.032 0.000 0.244 534 A CA 0.000 52.020 52.037 -0.029 0.000 0.836 534 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 534 A HN 0.000 nan 8.150 nan 0.000 0.486