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 1ucx_1_A DATA FIRST_RESID 14 DATA SEQUENCE IQKLNALKPD NRIESEGGLI ETWNPNNKPF QCAGVALSRC TLNRNALRRP DATA SEQUENCE SYTNGPQEIY IQQGKGIFGM IYPGcPSTXX XXXXXXXXXX XXXXXXRHQK DATA SEQUENCE IYNFREGDLI AVPTGVAWWM YNNEDTPVVA VSIIDTNSLE NQLDQMPRRF DATA SEQUENCE YLAGNQEQEF LKYQQXXXXX XXXXXXXXXX XXXXGGSILS GFTLEFLEHA DATA SEQUENCE FSVDKQIAKN LQGEXXXXXK GAIVTVKGGL SVIKPXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXIcTMRLR HNIGQTSSPD DATA SEQUENCE IYNPQAGSVT TATSLDFPAL SWLRLSAEFG SLRKNAMFVP HYNLNANSII DATA SEQUENCE YALNGRALIQ VVNCNGERVF DGELQEGRVL IVPQNFVVAA RSQSDNFEYV DATA SEQUENCE SFKTNDTPMI GTLAGANSLL NALPEEVIQH TFNLKSQQAR QIKNNNPFKF DATA SEQUENCE LVPPQES 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 14 I HA 0.000 nan 4.170 nan 0.000 0.288 14 I C 0.000 176.189 176.117 0.120 0.000 1.063 14 I CA 0.000 61.378 61.300 0.131 0.000 1.566 14 I CB 0.000 38.100 38.000 0.167 0.000 1.214 15 Q N 5.178 125.028 119.800 0.083 0.000 1.946 15 Q HA 0.150 4.490 4.340 -0.000 0.000 0.199 15 Q C -0.162 175.884 176.000 0.077 0.000 0.979 15 Q CA 1.374 57.217 55.803 0.066 0.000 0.834 15 Q CB 0.172 28.941 28.738 0.052 0.000 0.899 15 Q HN 0.585 nan 8.270 nan 0.000 0.431 16 K N 0.196 120.649 120.400 0.088 0.000 2.513 16 K HA 0.505 4.825 4.320 -0.000 0.000 0.251 16 K C -1.020 175.656 176.600 0.126 0.000 0.939 16 K CA -0.459 55.896 56.287 0.114 0.000 0.793 16 K CB 2.089 34.650 32.500 0.100 0.000 1.241 16 K HN 0.085 nan 8.250 nan 0.000 0.431 17 L N 2.457 123.779 121.223 0.165 0.000 2.399 17 L HA 0.372 4.712 4.340 -0.000 0.000 0.266 17 L C -0.304 176.678 176.870 0.188 0.000 1.114 17 L CA -0.546 54.352 54.840 0.097 0.000 0.804 17 L CB 0.787 42.856 42.059 0.016 0.000 1.146 17 L HN 0.629 nan 8.230 nan 0.000 0.451 18 N N 0.403 119.143 118.700 0.067 0.000 2.242 18 N HA 0.549 5.289 4.740 -0.000 0.000 0.292 18 N C -1.043 174.490 175.510 0.038 0.000 1.125 18 N CA -0.739 52.419 53.050 0.180 0.000 0.783 18 N CB 1.757 40.346 38.487 0.170 0.000 1.558 18 N HN 0.622 nan 8.380 nan 0.000 0.472 19 A N 1.814 124.721 122.820 0.145 0.000 2.544 19 A HA 0.277 4.597 4.320 -0.000 0.000 0.301 19 A C -0.089 177.593 177.584 0.164 0.000 1.368 19 A CA -0.291 51.793 52.037 0.079 0.000 1.045 19 A CB -0.863 18.244 19.000 0.178 0.000 1.129 19 A HN 0.604 nan 8.150 nan 0.000 0.540 20 L N 2.979 124.321 121.223 0.199 0.000 2.380 20 L HA 0.278 4.618 4.340 -0.000 0.000 0.273 20 L C 0.771 177.954 176.870 0.522 0.000 1.138 20 L CA -0.166 54.883 54.840 0.349 0.000 0.832 20 L CB 0.600 42.939 42.059 0.467 0.000 1.124 20 L HN 0.820 nan 8.230 nan 0.000 0.454 21 K N 3.493 124.083 120.400 0.318 0.000 2.245 21 K HA 0.688 5.008 4.320 -0.000 0.000 0.234 21 K C -2.699 173.673 176.600 -0.380 0.000 1.021 21 K CA -1.980 54.375 56.287 0.115 0.000 0.898 21 K CB 0.867 33.393 32.500 0.044 0.000 1.163 21 K HN 0.217 nan 8.250 nan 0.000 0.459 22 P HA -0.004 nan 4.420 nan 0.000 0.272 22 P C -0.862 176.259 177.300 -0.298 0.000 1.230 22 P CA 0.085 62.677 63.100 -0.846 0.000 0.788 22 P CB 0.451 31.587 31.700 -0.940 0.000 0.949 23 D N 0.183 120.498 120.400 -0.142 0.000 2.891 23 D HA 0.149 4.788 4.640 -0.000 0.000 0.332 23 D C -0.608 175.713 176.300 0.034 0.000 1.369 23 D CA -0.424 53.569 54.000 -0.012 0.000 0.827 23 D CB -0.825 40.015 40.800 0.067 0.000 1.141 23 D HN 0.189 nan 8.370 nan 0.000 0.464 24 N N 0.331 119.012 118.700 -0.032 0.000 3.049 24 N HA 0.160 4.900 4.740 -0.000 0.000 0.241 24 N C -1.644 173.822 175.510 -0.074 0.000 1.323 24 N CA -0.232 52.796 53.050 -0.038 0.000 0.824 24 N CB 1.120 39.611 38.487 0.007 0.000 1.557 24 N HN -0.003 nan 8.380 nan 0.000 0.612 25 R N 2.482 122.938 120.500 -0.073 0.000 2.368 25 R HA 0.609 4.949 4.340 -0.000 0.000 0.302 25 R C -0.307 175.950 176.300 -0.070 0.000 1.002 25 R CA -0.418 55.642 56.100 -0.066 0.000 0.929 25 R CB 1.311 31.580 30.300 -0.052 0.000 1.073 25 R HN 0.439 nan 8.270 nan 0.000 0.464 26 I N 2.647 123.177 120.570 -0.067 0.000 2.439 26 I HA 0.211 4.381 4.170 -0.000 0.000 0.285 26 I C -0.437 175.649 176.117 -0.053 0.000 1.021 26 I CA -0.459 60.796 61.300 -0.074 0.000 1.091 26 I CB 2.028 39.970 38.000 -0.098 0.000 1.242 26 I HN 0.464 nan 8.210 nan 0.000 0.439 27 E N 4.334 124.505 120.200 -0.048 0.000 2.134 27 E HA 0.418 4.768 4.350 -0.000 0.000 0.278 27 E C -0.779 175.797 176.600 -0.040 0.000 0.959 27 E CA -0.265 56.115 56.400 -0.034 0.000 0.783 27 E CB 2.276 31.960 29.700 -0.027 0.000 1.095 27 E HN 0.450 nan 8.360 nan 0.000 0.399 28 S N 1.834 117.515 115.700 -0.032 0.000 2.648 28 S HA 0.085 4.555 4.470 -0.000 0.000 0.305 28 S C 1.050 175.638 174.600 -0.020 0.000 1.094 28 S CA -0.583 57.595 58.200 -0.037 0.000 0.983 28 S CB 1.578 64.751 63.200 -0.045 0.000 1.101 28 S HN 0.737 nan 8.310 nan 0.000 0.514 29 E N 1.819 122.007 120.200 -0.021 0.000 2.149 29 E HA -0.236 4.114 4.350 -0.000 0.000 0.215 29 E C 1.280 177.882 176.600 0.003 0.000 1.055 29 E CA 2.088 58.483 56.400 -0.010 0.000 0.870 29 E CB -0.604 29.090 29.700 -0.010 0.000 0.764 29 E HN 0.773 nan 8.360 nan 0.000 0.463 30 G N -1.329 107.478 108.800 0.012 0.000 3.159 30 G HA2 0.439 4.398 3.960 -0.000 0.000 0.232 30 G HA3 0.439 4.398 3.960 -0.000 0.000 0.232 30 G C 0.157 175.074 174.900 0.027 0.000 1.116 30 G CA 0.282 45.395 45.100 0.023 0.000 0.767 30 G HN 0.527 nan 8.290 nan 0.000 0.547 31 G N -0.703 108.112 108.800 0.024 0.000 2.588 31 G HA2 0.530 4.490 3.960 -0.000 0.000 0.281 31 G HA3 0.530 4.490 3.960 -0.000 0.000 0.281 31 G C -2.245 172.669 174.900 0.023 0.000 1.223 31 G CA -0.500 44.620 45.100 0.033 0.000 0.871 31 G HN 0.699 nan 8.290 nan 0.000 0.492 32 L N -0.113 121.130 121.223 0.034 0.000 2.513 32 L HA 0.776 5.116 4.340 -0.000 0.000 0.261 32 L C -1.467 175.424 176.870 0.035 0.000 0.945 32 L CA -0.607 54.247 54.840 0.022 0.000 0.848 32 L CB 1.904 43.977 42.059 0.023 0.000 1.334 32 L HN 0.542 nan 8.230 nan 0.000 0.407 33 I N 3.266 123.843 120.570 0.012 0.000 2.433 33 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 33 I C -0.689 175.423 176.117 -0.008 0.000 1.001 33 I CA -0.567 60.744 61.300 0.019 0.000 1.119 33 I CB 1.981 39.979 38.000 -0.003 0.000 1.289 33 I HN 0.615 nan 8.210 nan 0.000 0.438 34 E N 3.696 123.908 120.200 0.020 0.000 2.266 34 E HA 0.576 4.926 4.350 -0.000 0.000 0.268 34 E C -0.955 175.673 176.600 0.047 0.000 0.879 34 E CA -0.772 55.616 56.400 -0.021 0.000 0.762 34 E CB 2.648 32.303 29.700 -0.075 0.000 1.199 34 E HN 0.698 nan 8.360 nan 0.000 0.422 35 T N -1.532 113.046 114.554 0.040 0.000 2.906 35 T HA 0.475 4.825 4.350 -0.000 0.000 0.295 35 T C -0.873 173.949 174.700 0.202 0.000 1.061 35 T CA -0.919 61.318 62.100 0.228 0.000 1.000 35 T CB 0.996 69.991 68.868 0.212 0.000 1.103 35 T HN 0.379 nan 8.240 nan 0.000 0.486 36 W N 1.830 123.133 121.300 0.005 0.000 2.469 36 W HA 0.355 5.015 4.660 0.000 0.000 0.320 36 W C 0.559 176.813 176.519 -0.443 0.000 1.086 36 W CA -0.775 56.474 57.345 -0.160 0.000 1.211 36 W CB 1.409 30.708 29.460 -0.268 0.000 1.298 36 W HN 0.667 nan 8.180 nan 0.000 0.525 37 N N 4.910 123.464 118.700 -0.243 0.000 2.438 37 N HA -0.020 4.720 4.740 -0.000 0.000 0.267 37 N C -1.220 173.989 175.510 -0.503 0.000 1.222 37 N CA -0.560 52.130 53.050 -0.600 0.000 0.930 37 N CB 1.377 39.705 38.487 -0.264 0.000 1.083 37 N HN 0.118 nan 8.380 nan 0.000 0.476 38 P HA -0.008 nan 4.420 nan 0.000 0.227 38 P C 0.148 177.396 177.300 -0.086 0.000 1.161 38 P CA 0.726 63.648 63.100 -0.298 0.000 0.788 38 P CB 0.499 32.028 31.700 -0.284 0.000 0.822 39 N N -0.159 118.477 118.700 -0.106 0.000 2.398 39 N HA -0.000 4.740 4.740 -0.000 0.000 0.188 39 N C 0.487 176.022 175.510 0.041 0.000 1.122 39 N CA 0.168 53.212 53.050 -0.011 0.000 0.866 39 N CB -0.818 37.667 38.487 -0.005 0.000 0.970 39 N HN 0.127 nan 8.380 nan 0.000 0.462 40 N N 1.154 119.903 118.700 0.083 0.000 2.441 40 N HA -0.026 4.714 4.740 -0.000 0.000 0.251 40 N C 1.202 176.780 175.510 0.114 0.000 1.242 40 N CA 0.181 53.311 53.050 0.133 0.000 0.898 40 N CB 0.885 39.521 38.487 0.248 0.000 1.100 40 N HN -0.006 nan 8.380 nan 0.000 0.443 41 K N 2.160 122.605 120.400 0.075 0.000 2.152 41 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 41 K C -1.011 175.594 176.600 0.009 0.000 1.048 41 K CA 1.130 57.443 56.287 0.042 0.000 0.933 41 K CB -0.414 32.107 32.500 0.035 0.000 0.721 41 K HN 0.476 nan 8.250 nan 0.000 0.447 42 P HA -0.140 nan 4.420 nan 0.000 0.215 42 P C 0.832 177.993 177.300 -0.230 0.000 1.157 42 P CA 1.284 64.285 63.100 -0.165 0.000 0.868 42 P CB 0.003 31.549 31.700 -0.256 0.000 0.788 43 F N -0.400 119.525 119.950 -0.042 0.000 2.234 43 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 43 F C 2.511 178.274 175.800 -0.062 0.000 1.087 43 F CA 1.221 59.186 58.000 -0.059 0.000 1.340 43 F CB -0.872 38.095 39.000 -0.054 0.000 1.031 43 F HN -0.087 nan 8.300 nan 0.000 0.500 44 Q N -0.980 118.883 119.800 0.106 0.000 2.119 44 Q HA -0.216 4.123 4.340 -0.000 0.000 0.201 44 Q C 2.585 178.585 176.000 0.000 0.000 0.972 44 Q CA 1.570 57.399 55.803 0.044 0.000 0.847 44 Q CB -1.122 27.637 28.738 0.035 0.000 0.903 44 Q HN 0.495 nan 8.270 nan 0.000 0.433 45 C N 0.368 119.648 119.300 -0.034 0.000 2.476 45 C HA -0.001 4.459 4.460 -0.000 0.000 0.278 45 C C 2.905 177.846 174.990 -0.083 0.000 1.274 45 C CA 0.905 59.882 59.018 -0.068 0.000 1.713 45 C CB -1.031 26.641 27.740 -0.113 0.000 2.039 45 C HN 0.595 nan 8.230 nan 0.000 0.484 46 A N -0.581 122.175 122.820 -0.107 0.000 1.948 46 A HA 0.130 4.450 4.320 -0.000 0.000 0.220 46 A C 2.128 179.682 177.584 -0.050 0.000 1.177 46 A CA 2.427 54.398 52.037 -0.110 0.000 0.636 46 A CB -1.322 17.582 19.000 -0.160 0.000 0.815 46 A HN 1.726 nan 8.150 nan 0.000 0.449 47 G N -2.185 106.607 108.800 -0.013 0.000 2.143 47 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.249 47 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.249 47 G C 0.400 175.303 174.900 0.006 0.000 0.981 47 G CA 0.914 46.011 45.100 -0.006 0.000 0.665 47 G HN 1.836 nan 8.290 nan 0.000 0.528 48 V N -3.056 116.893 119.914 0.058 0.000 3.177 48 V HA 1.006 5.126 4.120 -0.000 0.000 0.319 48 V C 0.251 176.397 176.094 0.086 0.000 1.125 48 V CA -0.655 61.681 62.300 0.060 0.000 1.029 48 V CB 2.056 33.918 31.823 0.065 0.000 1.119 48 V HN 1.828 nan 8.190 nan 0.000 0.452 49 A N 2.264 125.057 122.820 -0.046 0.000 2.410 49 A HA 0.738 5.058 4.320 -0.000 0.000 0.289 49 A C -0.839 176.664 177.584 -0.134 0.000 1.200 49 A CA -0.448 51.479 52.037 -0.183 0.000 0.751 49 A CB 0.719 19.537 19.000 -0.303 0.000 1.161 49 A HN 0.934 nan 8.150 nan 0.000 0.459 50 L N 1.652 122.733 121.223 -0.237 0.000 2.399 50 L HA 0.797 5.137 4.340 -0.000 0.000 0.265 50 L C 0.397 177.333 176.870 0.110 0.000 1.089 50 L CA -0.207 54.539 54.840 -0.157 0.000 0.802 50 L CB 1.885 43.731 42.059 -0.354 0.000 1.180 50 L HN 0.786 nan 8.230 nan 0.000 0.454 51 S N 2.676 118.474 115.700 0.164 0.000 2.567 51 S HA 0.515 4.985 4.470 -0.000 0.000 0.270 51 S C -1.436 173.358 174.600 0.324 0.000 1.152 51 S CA -0.804 57.627 58.200 0.385 0.000 0.835 51 S CB 1.724 65.108 63.200 0.306 0.000 1.115 51 S HN 0.697 nan 8.310 nan 0.000 0.459 52 R N 2.451 123.190 120.500 0.400 0.000 2.500 52 R HA 0.609 4.948 4.340 -0.000 0.000 0.299 52 R C -1.735 174.684 176.300 0.200 0.000 1.038 52 R CA -0.402 55.877 56.100 0.298 0.000 0.903 52 R CB 0.582 31.152 30.300 0.450 0.000 1.177 52 R HN 0.736 nan 8.270 nan 0.000 0.455 53 C N 2.773 122.169 119.300 0.160 0.000 2.319 53 C HA 0.554 5.013 4.460 -0.000 0.000 0.335 53 C C 0.486 175.555 174.990 0.131 0.000 1.274 53 C CA -0.516 58.587 59.018 0.142 0.000 1.806 53 C CB 1.116 28.959 27.740 0.172 0.000 2.329 53 C HN 0.759 nan 8.230 nan 0.000 0.524 54 T N 3.825 118.447 114.554 0.113 0.000 2.792 54 T HA 0.685 5.035 4.350 -0.000 0.000 0.280 54 T C -0.886 173.871 174.700 0.094 0.000 0.990 54 T CA -0.474 61.689 62.100 0.104 0.000 0.960 54 T CB 0.256 69.180 68.868 0.093 0.000 0.939 54 T HN 0.551 nan 8.240 nan 0.000 0.439 55 L N 4.427 125.711 121.223 0.101 0.000 2.317 55 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 55 L C 0.613 177.513 176.870 0.049 0.000 1.024 55 L CA -1.075 53.816 54.840 0.085 0.000 0.810 55 L CB 1.490 43.618 42.059 0.114 0.000 1.240 55 L HN 0.726 nan 8.230 nan 0.000 0.427 56 N N 0.927 119.643 118.700 0.027 0.000 2.514 56 N HA 0.383 5.123 4.740 -0.000 0.000 0.299 56 N C -0.326 175.166 175.510 -0.030 0.000 1.292 56 N CA -0.962 52.091 53.050 0.006 0.000 0.963 56 N CB 0.571 39.065 38.487 0.012 0.000 1.124 56 N HN 0.455 nan 8.380 nan 0.000 0.580 57 R N 0.758 121.239 120.500 -0.032 0.000 2.570 57 R HA -0.043 4.297 4.340 -0.000 0.000 0.277 57 R C -0.308 175.960 176.300 -0.054 0.000 1.039 57 R CA 0.633 56.698 56.100 -0.058 0.000 1.065 57 R CB -0.306 29.977 30.300 -0.029 0.000 0.964 57 R HN 0.723 nan 8.270 nan 0.000 0.428 58 N N 0.302 118.935 118.700 -0.112 0.000 2.753 58 N HA -0.278 4.462 4.740 -0.000 0.000 0.251 58 N C -1.049 174.483 175.510 0.037 0.000 1.097 58 N CA 0.442 53.477 53.050 -0.024 0.000 0.786 58 N CB -0.718 37.814 38.487 0.075 0.000 1.137 58 N HN 0.647 nan 8.380 nan 0.000 0.566 59 A N 0.613 123.399 122.820 -0.056 0.000 2.327 59 A HA 0.620 4.940 4.320 -0.000 0.000 0.283 59 A C -0.054 177.637 177.584 0.179 0.000 1.127 59 A CA -0.227 51.846 52.037 0.061 0.000 0.810 59 A CB 0.857 19.882 19.000 0.042 0.000 1.066 59 A HN 0.219 nan 8.150 nan 0.000 0.492 60 L N 2.847 124.227 121.223 0.262 0.000 2.372 60 L HA 0.423 4.763 4.340 -0.000 0.000 0.274 60 L C -0.169 176.851 176.870 0.250 0.000 0.988 60 L CA -0.365 54.689 54.840 0.357 0.000 0.833 60 L CB 1.343 43.581 42.059 0.299 0.000 1.236 60 L HN 0.924 nan 8.230 nan 0.000 0.410 61 R N 5.208 125.886 120.500 0.298 0.000 2.248 61 R HA 0.291 4.631 4.340 -0.000 0.000 0.328 61 R C -0.054 176.379 176.300 0.221 0.000 1.067 61 R CA -0.513 55.721 56.100 0.224 0.000 0.924 61 R CB 0.660 31.098 30.300 0.230 0.000 1.013 61 R HN 0.676 nan 8.270 nan 0.000 0.454 62 R N 4.326 124.928 120.500 0.169 0.000 2.784 62 R HA 0.074 4.413 4.340 -0.000 0.000 0.266 62 R C -2.131 174.253 176.300 0.140 0.000 1.044 62 R CA -1.330 54.863 56.100 0.156 0.000 1.151 62 R CB -0.031 30.346 30.300 0.127 0.000 1.037 62 R HN 0.454 nan 8.270 nan 0.000 0.478 63 P HA 0.009 nan 4.420 nan 0.000 0.271 63 P C -0.758 176.525 177.300 -0.028 0.000 1.220 63 P CA 0.292 63.443 63.100 0.084 0.000 0.768 63 P CB 1.023 32.827 31.700 0.173 0.000 0.848 64 S N 2.199 117.746 115.700 -0.256 0.000 2.656 64 S HA 0.861 5.330 4.470 -0.000 0.000 0.273 64 S C -1.585 172.921 174.600 -0.156 0.000 1.168 64 S CA -0.797 57.178 58.200 -0.375 0.000 0.817 64 S CB 1.432 64.071 63.200 -0.935 0.000 1.146 64 S HN 0.484 nan 8.310 nan 0.000 0.475 65 Y N -1.670 118.549 120.300 -0.135 0.000 2.521 65 Y HA 0.729 5.279 4.550 -0.000 0.000 0.332 65 Y C -0.525 175.439 175.900 0.107 0.000 1.121 65 Y CA -0.740 57.368 58.100 0.015 0.000 1.037 65 Y CB 0.651 39.103 38.460 -0.015 0.000 1.330 65 Y HN 0.975 nan 8.280 nan 0.000 0.452 66 T N -1.147 113.561 114.554 0.258 0.000 2.923 66 T HA 0.364 4.714 4.350 -0.000 0.000 0.281 66 T C -0.043 174.770 174.700 0.187 0.000 0.995 66 T CA -0.902 61.341 62.100 0.239 0.000 0.985 66 T CB 1.203 70.186 68.868 0.191 0.000 1.114 66 T HN 0.834 nan 8.240 nan 0.000 0.548 67 N N -0.010 118.783 118.700 0.155 0.000 2.714 67 N HA 0.386 5.126 4.740 -0.000 0.000 0.298 67 N C 0.106 175.653 175.510 0.061 0.000 1.298 67 N CA -0.636 52.465 53.050 0.085 0.000 1.007 67 N CB 0.412 38.960 38.487 0.103 0.000 1.318 67 N HN 0.989 nan 8.380 nan 0.000 0.516 68 G N 0.260 109.097 108.800 0.062 0.000 2.576 68 G HA2 0.377 4.337 3.960 -0.000 0.000 0.290 68 G HA3 0.377 4.337 3.960 -0.000 0.000 0.290 68 G C -3.457 171.469 174.900 0.043 0.000 1.442 68 G CA -0.968 44.154 45.100 0.036 0.000 0.792 68 G HN -0.074 nan 8.290 nan 0.000 0.491 69 P HA 0.183 nan 4.420 nan 0.000 0.267 69 P C -0.522 176.777 177.300 -0.002 0.000 1.209 69 P CA 0.314 63.427 63.100 0.022 0.000 0.763 69 P CB 0.861 32.567 31.700 0.010 0.000 0.816 70 Q N 1.997 121.793 119.800 -0.007 0.000 2.345 70 Q HA 0.393 4.733 4.340 -0.000 0.000 0.268 70 Q C -0.929 175.014 176.000 -0.095 0.000 1.054 70 Q CA -0.694 55.080 55.803 -0.047 0.000 0.835 70 Q CB 1.571 30.304 28.738 -0.009 0.000 1.339 70 Q HN 0.343 nan 8.270 nan 0.000 0.447 71 E N 3.966 124.089 120.200 -0.128 0.000 2.279 71 E HA 0.312 4.662 4.350 -0.000 0.000 0.252 71 E C -1.358 175.184 176.600 -0.096 0.000 0.894 71 E CA -0.335 56.014 56.400 -0.085 0.000 0.785 71 E CB 0.963 30.660 29.700 -0.005 0.000 1.237 71 E HN 0.582 nan 8.360 nan 0.000 0.418 72 I N 4.721 125.205 120.570 -0.142 0.000 2.312 72 I HA 0.209 4.379 4.170 -0.000 0.000 0.290 72 I C -0.564 175.528 176.117 -0.042 0.000 1.008 72 I CA -0.821 60.383 61.300 -0.160 0.000 1.226 72 I CB 0.577 38.327 38.000 -0.417 0.000 1.371 72 I HN 0.507 nan 8.210 nan 0.000 0.468 73 Y N 7.415 127.726 120.300 0.018 0.000 2.320 73 Y HA 0.489 5.039 4.550 -0.000 0.000 0.334 73 Y C -0.328 175.505 175.900 -0.113 0.000 1.055 73 Y CA -0.566 57.515 58.100 -0.032 0.000 1.143 73 Y CB 1.064 39.548 38.460 0.041 0.000 1.193 73 Y HN 0.426 nan 8.280 nan 0.000 0.477 74 I N 6.464 126.569 120.570 -0.775 0.000 2.281 74 I HA 0.080 4.250 4.170 -0.000 0.000 0.293 74 I C 1.222 177.055 176.117 -0.474 0.000 1.085 74 I CA 0.461 61.460 61.300 -0.502 0.000 1.257 74 I CB 1.093 38.846 38.000 -0.412 0.000 1.430 74 I HN 0.785 nan 8.210 nan 0.000 0.489 75 Q N 5.702 125.470 119.800 -0.053 0.000 2.050 75 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 75 Q C 0.136 176.182 176.000 0.078 0.000 0.980 75 Q CA 1.408 57.317 55.803 0.177 0.000 0.840 75 Q CB 0.379 29.273 28.738 0.260 0.000 0.898 75 Q HN 0.782 nan 8.270 nan 0.000 0.424 76 Q N -2.596 117.235 119.800 0.052 0.000 2.472 76 Q HA 0.567 4.907 4.340 -0.000 0.000 0.281 76 Q C -0.726 175.311 176.000 0.062 0.000 0.997 76 Q CA -0.530 55.301 55.803 0.046 0.000 0.828 76 Q CB 1.842 30.620 28.738 0.067 0.000 1.443 76 Q HN 0.217 nan 8.270 nan 0.000 0.390 77 G N 1.036 109.864 108.800 0.047 0.000 2.592 77 G HA2 0.016 3.976 3.960 -0.000 0.000 0.684 77 G HA3 0.016 3.976 3.960 -0.000 0.000 0.684 77 G C -1.638 173.289 174.900 0.045 0.000 1.291 77 G CA -0.554 44.575 45.100 0.049 0.000 0.891 77 G HN 0.656 nan 8.290 nan 0.000 0.544 78 K N -0.554 119.812 120.400 -0.055 0.000 2.502 78 K HA 0.817 5.137 4.320 -0.000 0.000 0.257 78 K C 0.307 176.618 176.600 -0.483 0.000 0.938 78 K CA -0.275 55.869 56.287 -0.239 0.000 0.819 78 K CB 2.306 34.703 32.500 -0.171 0.000 1.333 78 K HN 1.719 nan 8.250 nan 0.000 0.434 79 G N 0.957 109.135 108.800 -1.037 0.000 2.435 79 G HA2 0.505 4.465 3.960 -0.000 0.000 0.296 79 G HA3 0.505 4.465 3.960 -0.000 0.000 0.296 79 G C -1.713 172.637 174.900 -0.917 0.000 1.240 79 G CA -0.826 43.760 45.100 -0.856 0.000 0.872 79 G HN 0.595 nan 8.290 nan 0.000 0.480 80 I N -1.898 118.497 120.570 -0.292 0.000 2.934 80 I HA 0.943 5.113 4.170 -0.000 0.000 0.306 80 I C -0.943 175.426 176.117 0.421 0.000 1.110 80 I CA -1.332 60.017 61.300 0.082 0.000 1.019 80 I CB 2.407 40.470 38.000 0.106 0.000 1.227 80 I HN 0.709 nan 8.210 nan 0.000 0.434 81 F N 1.122 121.161 119.950 0.149 0.000 2.613 81 F HA 0.976 5.503 4.527 -0.000 0.000 0.310 81 F C -0.679 174.914 175.800 -0.345 0.000 1.085 81 F CA -0.954 56.990 58.000 -0.093 0.000 0.945 81 F CB 1.687 40.730 39.000 0.073 0.000 1.298 81 F HN 0.721 nan 8.300 nan 0.000 0.455 82 G N 3.829 112.007 108.800 -1.036 0.000 2.701 82 G HA2 0.576 4.536 3.960 -0.000 0.000 0.300 82 G HA3 0.576 4.536 3.960 -0.000 0.000 0.300 82 G C -1.331 173.427 174.900 -0.235 0.000 1.410 82 G CA -1.170 43.474 45.100 -0.760 0.000 1.014 82 G HN 0.604 nan 8.290 nan 0.000 0.509 83 M N 1.319 120.931 119.600 0.020 0.000 2.283 83 M HA 0.439 4.919 4.480 -0.000 0.000 0.314 83 M C 0.174 176.634 176.300 0.266 0.000 1.153 83 M CA -0.628 54.811 55.300 0.232 0.000 1.084 83 M CB 1.149 33.895 32.600 0.244 0.000 1.468 83 M HN 0.367 nan 8.290 nan 0.000 0.474 84 I N 1.217 121.954 120.570 0.278 0.000 2.934 84 I HA 0.188 4.358 4.170 -0.000 0.000 0.312 84 I C -0.885 175.330 176.117 0.164 0.000 1.342 84 I CA -0.513 60.927 61.300 0.233 0.000 0.946 84 I CB -0.252 37.880 38.000 0.219 0.000 2.034 84 I HN 0.462 nan 8.210 nan 0.000 0.604 85 Y N 6.211 126.566 120.300 0.091 0.000 2.569 85 Y HA 0.111 4.661 4.550 -0.000 0.000 0.332 85 Y C -0.962 174.960 175.900 0.037 0.000 1.120 85 Y CA -1.195 56.934 58.100 0.048 0.000 1.416 85 Y CB 0.890 39.363 38.460 0.022 0.000 1.210 85 Y HN 0.286 nan 8.280 nan 0.000 0.528 86 P HA -0.170 nan 4.420 nan 0.000 0.214 86 P C 0.690 178.060 177.300 0.117 0.000 1.163 86 P CA 1.817 64.888 63.100 -0.048 0.000 0.889 86 P CB 0.054 31.643 31.700 -0.184 0.000 0.790 87 G N -0.465 108.509 108.800 0.291 0.000 3.455 87 G HA2 0.292 4.252 3.960 -0.000 0.000 0.250 87 G HA3 0.292 4.252 3.960 -0.000 0.000 0.250 87 G C -0.227 174.795 174.900 0.204 0.000 1.071 87 G CA -0.188 45.061 45.100 0.250 0.000 1.812 87 G HN 0.285 nan 8.290 nan 0.000 0.643 88 c N 0.548 119.248 118.600 0.167 0.000 2.898 88 c HA 0.632 5.202 4.570 -0.000 0.000 0.304 88 c C -1.942 172.189 174.090 0.068 0.000 1.237 88 c CA -1.198 55.194 56.329 0.105 0.000 1.529 88 c CB 2.447 45.033 42.510 0.127 0.000 2.021 88 c HN 0.544 nan 8.230 nan 0.000 0.474 89 P HA 0.309 nan 4.420 nan 0.000 0.275 89 P C -0.728 176.582 177.300 0.016 0.000 1.228 89 P CA 0.189 63.300 63.100 0.020 0.000 0.786 89 P CB 0.854 32.556 31.700 0.003 0.000 0.927 90 S N 0.707 116.409 115.700 0.004 0.000 2.565 90 S HA 0.573 5.043 4.470 -0.000 0.000 0.290 90 S C -0.400 174.156 174.600 -0.073 0.000 1.150 90 S CA -0.048 58.142 58.200 -0.016 0.000 1.058 90 S CB 0.794 63.995 63.200 0.001 0.000 1.032 90 S HN 0.772 nan 8.310 nan 0.000 0.510 111 H N 0.390 119.471 119.070 0.018 0.000 3.046 111 H HA 0.481 5.037 4.556 -0.000 0.000 0.363 111 H C -0.995 174.360 175.328 0.045 0.000 1.203 111 H CA -0.821 55.251 56.048 0.039 0.000 1.169 111 H CB 0.953 30.741 29.762 0.044 0.000 1.851 111 H HN 0.051 nan 8.280 nan 0.000 0.546 112 Q N 1.227 121.165 119.800 0.231 0.000 2.584 112 Q HA 0.099 4.439 4.340 -0.000 0.000 0.235 112 Q C 0.021 176.150 176.000 0.215 0.000 1.079 112 Q CA -0.465 55.439 55.803 0.169 0.000 0.977 112 Q CB 0.718 29.559 28.738 0.171 0.000 1.293 112 Q HN 0.456 nan 8.270 nan 0.000 0.553 113 K N 1.709 122.138 120.400 0.049 0.000 2.451 113 K HA 0.081 4.401 4.320 -0.000 0.000 0.280 113 K C -0.684 175.767 176.600 -0.249 0.000 1.020 113 K CA 0.397 56.601 56.287 -0.138 0.000 1.008 113 K CB 0.121 32.439 32.500 -0.303 0.000 0.917 113 K HN 0.409 nan 8.250 nan 0.000 0.478 114 I N 5.097 125.482 120.570 -0.309 0.000 2.404 114 I HA 0.218 4.388 4.170 -0.000 0.000 0.293 114 I C -0.670 175.152 176.117 -0.492 0.000 0.992 114 I CA -0.941 60.158 61.300 -0.335 0.000 1.149 114 I CB 0.904 38.850 38.000 -0.091 0.000 1.315 114 I HN 0.415 nan 8.210 nan 0.000 0.446 115 Y N 3.540 123.603 120.300 -0.395 0.000 2.496 115 Y HA 0.440 4.990 4.550 -0.000 0.000 0.331 115 Y C 0.173 176.070 175.900 -0.006 0.000 1.140 115 Y CA -0.911 57.073 58.100 -0.194 0.000 1.166 115 Y CB 0.844 39.192 38.460 -0.187 0.000 1.249 115 Y HN 0.497 nan 8.280 nan 0.000 0.479 116 N N 0.731 119.572 118.700 0.236 0.000 2.447 116 N HA 0.669 5.409 4.740 -0.000 0.000 0.271 116 N C -1.606 174.107 175.510 0.338 0.000 1.226 116 N CA -0.596 52.553 53.050 0.165 0.000 0.980 116 N CB 1.021 39.536 38.487 0.048 0.000 1.206 116 N HN 0.487 nan 8.380 nan 0.000 0.558 117 F N -2.841 117.168 119.950 0.099 0.000 2.678 117 F HA 0.652 5.179 4.527 -0.000 0.000 0.308 117 F C -0.973 174.802 175.800 -0.041 0.000 1.118 117 F CA -1.276 56.731 58.000 0.013 0.000 0.959 117 F CB 1.145 40.131 39.000 -0.023 0.000 1.305 117 F HN 0.190 nan 8.300 nan 0.000 0.443 118 R N 0.441 121.040 120.500 0.165 0.000 2.943 118 R HA 0.503 4.842 4.340 -0.000 0.000 0.246 118 R C -0.880 175.424 176.300 0.006 0.000 1.201 118 R CA -1.253 54.870 56.100 0.038 0.000 1.056 118 R CB 1.022 31.299 30.300 -0.039 0.000 1.243 118 R HN 0.693 nan 8.270 nan 0.000 0.498 119 E N 0.129 120.289 120.200 -0.067 0.000 2.404 119 E HA 0.174 4.524 4.350 -0.000 0.000 0.261 119 E C 0.564 176.984 176.600 -0.300 0.000 1.074 119 E CA 0.743 57.047 56.400 -0.159 0.000 0.917 119 E CB 0.347 29.981 29.700 -0.110 0.000 0.965 119 E HN 0.796 nan 8.360 nan 0.000 0.433 120 G N 2.049 110.526 108.800 -0.539 0.000 2.189 120 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.267 120 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.267 120 G C -0.218 174.378 174.900 -0.507 0.000 0.975 120 G CA 0.319 45.068 45.100 -0.585 0.000 0.644 120 G HN 0.557 nan 8.290 nan 0.000 0.537 121 D N -0.104 120.011 120.400 -0.475 0.000 2.350 121 D HA 0.493 5.133 4.640 -0.000 0.000 0.249 121 D C 0.145 176.194 176.300 -0.419 0.000 1.119 121 D CA -0.127 53.651 54.000 -0.371 0.000 0.886 121 D CB 1.407 42.049 40.800 -0.263 0.000 1.195 121 D HN 0.195 nan 8.370 nan 0.000 0.437 122 L N 4.300 125.355 121.223 -0.280 0.000 2.294 122 L HA 0.441 4.780 4.340 -0.000 0.000 0.283 122 L C -0.975 175.798 176.870 -0.160 0.000 1.015 122 L CA -0.339 54.423 54.840 -0.130 0.000 0.831 122 L CB 0.768 42.859 42.059 0.054 0.000 1.217 122 L HN 0.327 nan 8.230 nan 0.000 0.420 123 I N 5.025 125.436 120.570 -0.266 0.000 2.315 123 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 123 I C 0.323 176.324 176.117 -0.193 0.000 1.006 123 I CA -0.470 60.598 61.300 -0.387 0.000 1.265 123 I CB 1.590 39.041 38.000 -0.914 0.000 1.387 123 I HN 0.756 nan 8.210 nan 0.000 0.475 124 A N 6.936 129.739 122.820 -0.029 0.000 2.289 124 A HA 0.618 4.937 4.320 -0.000 0.000 0.298 124 A C -0.428 177.071 177.584 -0.141 0.000 1.208 124 A CA -0.369 51.618 52.037 -0.084 0.000 0.845 124 A CB 0.655 19.560 19.000 -0.159 0.000 1.125 124 A HN 0.483 nan 8.150 nan 0.000 0.517 125 V N 6.077 125.907 119.914 -0.140 0.000 2.304 125 V HA 0.251 4.371 4.120 -0.000 0.000 0.278 125 V C -2.311 173.794 176.094 0.018 0.000 1.018 125 V CA -1.528 60.715 62.300 -0.095 0.000 0.814 125 V CB 1.194 32.891 31.823 -0.211 0.000 1.021 125 V HN 0.764 nan 8.190 nan 0.000 0.440 126 P HA 0.024 nan 4.420 nan 0.000 0.267 126 P C 0.271 177.662 177.300 0.152 0.000 1.201 126 P CA 0.251 63.456 63.100 0.175 0.000 0.775 126 P CB 0.243 32.102 31.700 0.266 0.000 0.854 127 T N 2.558 117.199 114.554 0.144 0.000 2.822 127 T HA 0.254 4.604 4.350 -0.000 0.000 0.288 127 T C 1.460 176.198 174.700 0.063 0.000 0.991 127 T CA 1.394 63.551 62.100 0.095 0.000 1.176 127 T CB -0.721 68.188 68.868 0.068 0.000 0.951 127 T HN 0.836 nan 8.240 nan 0.000 0.526 128 G N 2.522 111.360 108.800 0.064 0.000 2.179 128 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 128 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 128 G C 0.294 175.148 174.900 -0.076 0.000 0.977 128 G CA -0.035 45.054 45.100 -0.018 0.000 0.641 128 G HN 0.787 nan 8.290 nan 0.000 0.533 129 V N 1.416 121.346 119.914 0.025 0.000 2.715 129 V HA 0.550 4.669 4.120 -0.000 0.000 0.299 129 V C 1.100 177.325 176.094 0.219 0.000 1.054 129 V CA 0.216 62.539 62.300 0.040 0.000 1.077 129 V CB 1.210 33.108 31.823 0.125 0.000 0.972 129 V HN 1.082 nan 8.190 nan 0.000 0.484 130 A N 6.258 129.192 122.820 0.190 0.000 2.279 130 A HA 0.866 5.186 4.320 -0.000 0.000 0.303 130 A C -0.469 177.375 177.584 0.433 0.000 1.108 130 A CA -0.493 51.721 52.037 0.295 0.000 0.830 130 A CB 0.841 19.971 19.000 0.217 0.000 1.106 130 A HN 1.105 nan 8.150 nan 0.000 0.493 131 W N 0.174 121.617 121.300 0.238 0.000 3.066 131 W HA 0.630 5.290 4.660 -0.000 0.000 0.330 131 W C -1.929 174.787 176.519 0.327 0.000 1.253 131 W CA -1.286 56.199 57.345 0.233 0.000 1.187 131 W CB 0.332 29.904 29.460 0.186 0.000 1.434 131 W HN 0.989 nan 8.180 nan 0.000 0.572 132 W N 2.155 123.700 121.300 0.409 0.000 2.950 132 W HA 0.811 5.471 4.660 -0.000 0.000 0.340 132 W C -1.835 175.023 176.519 0.565 0.000 1.139 132 W CA -1.856 55.660 57.345 0.287 0.000 1.188 132 W CB 1.545 31.108 29.460 0.171 0.000 1.426 132 W HN 0.496 nan 8.180 nan 0.000 0.531 133 M N 3.774 123.774 119.600 0.666 0.000 2.386 133 M HA 0.478 4.958 4.480 -0.000 0.000 0.293 133 M C -2.412 174.283 176.300 0.657 0.000 1.120 133 M CA -0.658 55.020 55.300 0.630 0.000 0.909 133 M CB 3.201 36.208 32.600 0.679 0.000 1.661 133 M HN 0.596 nan 8.290 nan 0.000 0.452 134 Y N 3.581 124.155 120.300 0.457 0.000 2.499 134 Y HA 0.639 5.189 4.550 -0.000 0.000 0.347 134 Y C -1.533 174.494 175.900 0.212 0.000 0.987 134 Y CA -0.580 57.725 58.100 0.342 0.000 1.044 134 Y CB 1.685 40.379 38.460 0.390 0.000 1.245 134 Y HN 0.828 nan 8.280 nan 0.000 0.461 135 N N 2.517 120.894 118.700 -0.537 0.000 2.292 135 N HA 0.273 5.012 4.740 -0.000 0.000 0.303 135 N C -1.118 173.911 175.510 -0.802 0.000 1.140 135 N CA -0.493 52.278 53.050 -0.464 0.000 0.788 135 N CB 1.749 40.124 38.487 -0.186 0.000 1.361 135 N HN 0.796 nan 8.380 nan 0.000 0.489 136 N N 0.187 118.643 118.700 -0.407 0.000 2.082 136 N HA 0.136 4.876 4.740 -0.000 0.000 0.228 136 N C -1.016 174.432 175.510 -0.104 0.000 1.341 136 N CA 0.018 52.922 53.050 -0.243 0.000 0.873 136 N CB 0.508 38.986 38.487 -0.015 0.000 1.137 136 N HN 0.466 nan 8.380 nan 0.000 0.505 137 E N -0.084 120.054 120.200 -0.103 0.000 2.504 137 E HA 0.155 4.505 4.350 -0.000 0.000 0.253 137 E C 0.048 176.622 176.600 -0.042 0.000 1.151 137 E CA -0.358 56.009 56.400 -0.056 0.000 0.972 137 E CB 0.536 30.205 29.700 -0.052 0.000 1.247 137 E HN 0.135 nan 8.360 nan 0.000 0.519 138 D N 0.434 120.820 120.400 -0.023 0.000 2.183 138 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 138 D C 0.059 176.356 176.300 -0.006 0.000 0.962 138 D CA 0.837 54.830 54.000 -0.012 0.000 0.849 138 D CB 0.119 40.916 40.800 -0.004 0.000 0.978 138 D HN 0.369 nan 8.370 nan 0.000 0.488 139 T N 2.225 116.775 114.554 -0.006 0.000 2.817 139 T HA 0.265 4.615 4.350 -0.000 0.000 0.295 139 T C -2.514 172.190 174.700 0.006 0.000 0.958 139 T CA -1.466 60.637 62.100 0.005 0.000 1.157 139 T CB 1.032 69.902 68.868 0.004 0.000 0.898 139 T HN -0.113 nan 8.240 nan 0.000 0.536 140 P HA 0.272 nan 4.420 nan 0.000 0.275 140 P C -0.274 177.063 177.300 0.062 0.000 1.227 140 P CA -0.669 62.453 63.100 0.035 0.000 0.781 140 P CB 0.547 32.273 31.700 0.044 0.000 0.906 141 V N 4.379 124.345 119.914 0.085 0.000 2.572 141 V HA 0.091 4.211 4.120 -0.000 0.000 0.291 141 V C 0.368 176.536 176.094 0.123 0.000 1.039 141 V CA 0.240 62.628 62.300 0.146 0.000 1.055 141 V CB 1.039 33.014 31.823 0.253 0.000 0.969 141 V HN 0.244 nan 8.190 nan 0.000 0.482 142 V N 4.998 124.978 119.914 0.109 0.000 2.380 142 V HA 0.672 4.792 4.120 -0.000 0.000 0.286 142 V C 0.149 176.288 176.094 0.076 0.000 1.015 142 V CA -0.423 61.941 62.300 0.108 0.000 0.834 142 V CB 1.549 33.449 31.823 0.128 0.000 1.009 142 V HN 0.948 nan 8.190 nan 0.000 0.428 143 A N 4.828 127.684 122.820 0.060 0.000 2.293 143 A HA 0.716 5.036 4.320 -0.000 0.000 0.312 143 A C -0.616 176.990 177.584 0.037 0.000 1.309 143 A CA -0.486 51.549 52.037 -0.003 0.000 0.839 143 A CB 1.412 20.361 19.000 -0.086 0.000 1.155 143 A HN 0.821 nan 8.150 nan 0.000 0.501 144 V N 4.110 124.050 119.914 0.043 0.000 2.432 144 V HA 0.703 4.823 4.120 -0.000 0.000 0.275 144 V C 0.177 176.278 176.094 0.012 0.000 1.043 144 V CA 0.583 62.870 62.300 -0.021 0.000 0.925 144 V CB 1.171 32.793 31.823 -0.335 0.000 0.985 144 V HN 1.240 nan 8.190 nan 0.000 0.466 145 S N 7.173 122.825 115.700 -0.079 0.000 2.632 145 S HA 0.800 5.270 4.470 -0.000 0.000 0.289 145 S C -0.703 173.667 174.600 -0.383 0.000 1.115 145 S CA -0.873 57.198 58.200 -0.215 0.000 0.889 145 S CB 1.882 65.019 63.200 -0.105 0.000 1.116 145 S HN 1.160 nan 8.310 nan 0.000 0.486 146 I N -0.992 119.245 120.570 -0.556 0.000 2.509 146 I HA 0.663 4.833 4.170 -0.000 0.000 0.293 146 I C -1.319 174.670 176.117 -0.214 0.000 1.020 146 I CA -1.341 59.712 61.300 -0.410 0.000 1.088 146 I CB 1.393 39.069 38.000 -0.541 0.000 1.267 146 I HN 0.595 nan 8.210 nan 0.000 0.430 147 I N 4.285 124.782 120.570 -0.122 0.000 2.321 147 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 147 I C -0.402 175.664 176.117 -0.085 0.000 0.998 147 I CA -0.167 61.087 61.300 -0.077 0.000 1.227 147 I CB 1.226 39.188 38.000 -0.063 0.000 1.368 147 I HN 0.609 nan 8.210 nan 0.000 0.466 148 D N 4.589 124.952 120.400 -0.063 0.000 2.374 148 D HA 0.039 4.679 4.640 -0.000 0.000 0.240 148 D C 1.281 177.556 176.300 -0.042 0.000 1.229 148 D CA -0.185 53.786 54.000 -0.049 0.000 0.895 148 D CB 0.828 41.606 40.800 -0.037 0.000 1.046 148 D HN 0.643 nan 8.370 nan 0.000 0.498 149 T N 0.428 114.951 114.554 -0.053 0.000 3.148 149 T HA 0.004 4.354 4.350 -0.000 0.000 0.253 149 T C 0.830 175.511 174.700 -0.031 0.000 1.134 149 T CA -0.173 61.897 62.100 -0.051 0.000 1.051 149 T CB -0.340 68.479 68.868 -0.081 0.000 0.959 149 T HN 0.294 nan 8.240 nan 0.000 0.525 150 N N 0.980 119.665 118.700 -0.026 0.000 2.735 150 N HA 0.333 5.073 4.740 -0.000 0.000 0.312 150 N C -1.040 174.458 175.510 -0.019 0.000 1.843 150 N CA -0.248 52.790 53.050 -0.020 0.000 0.945 150 N CB 0.710 39.185 38.487 -0.020 0.000 1.299 150 N HN 0.170 nan 8.380 nan 0.000 0.489 151 S N 0.321 116.011 115.700 -0.017 0.000 2.593 151 S HA 0.333 4.803 4.470 -0.000 0.000 0.297 151 S C 1.008 175.598 174.600 -0.016 0.000 1.112 151 S CA -0.611 57.579 58.200 -0.017 0.000 1.043 151 S CB 0.884 64.076 63.200 -0.014 0.000 1.054 151 S HN 0.300 nan 8.310 nan 0.000 0.516 152 L N 3.165 124.375 121.223 -0.022 0.000 2.191 152 L HA 0.010 4.350 4.340 -0.000 0.000 0.212 152 L C 2.323 179.180 176.870 -0.022 0.000 1.103 152 L CA 1.718 56.544 54.840 -0.024 0.000 0.769 152 L CB -0.480 41.559 42.059 -0.034 0.000 0.908 152 L HN 0.707 nan 8.230 nan 0.000 0.438 153 E N -0.901 119.287 120.200 -0.020 0.000 2.208 153 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 153 E C 0.662 177.261 176.600 -0.002 0.000 0.988 153 E CA 0.172 56.565 56.400 -0.013 0.000 0.828 153 E CB -0.343 29.354 29.700 -0.005 0.000 0.763 153 E HN 0.392 nan 8.360 nan 0.000 0.478 154 N N 1.772 120.472 118.700 0.000 0.000 2.401 154 N HA -0.033 4.707 4.740 -0.000 0.000 0.255 154 N C 0.157 175.671 175.510 0.007 0.000 1.110 154 N CA 0.243 53.298 53.050 0.008 0.000 0.949 154 N CB 0.658 39.148 38.487 0.006 0.000 1.110 154 N HN -0.087 nan 8.380 nan 0.000 0.490 155 Q N 2.824 122.631 119.800 0.012 0.000 2.220 155 Q HA 0.211 4.550 4.340 -0.000 0.000 0.205 155 Q C 0.440 176.454 176.000 0.023 0.000 0.865 155 Q CA 0.009 55.820 55.803 0.012 0.000 0.960 155 Q CB 0.684 29.427 28.738 0.008 0.000 1.097 155 Q HN 0.627 nan 8.270 nan 0.000 0.493 156 L N 0.026 121.268 121.223 0.033 0.000 2.611 156 L HA 0.208 4.548 4.340 -0.000 0.000 0.187 156 L C 0.040 176.929 176.870 0.030 0.000 1.334 156 L CA -0.063 54.803 54.840 0.043 0.000 2.722 156 L CB 0.191 42.294 42.059 0.073 0.000 2.570 156 L HN 0.158 nan 8.230 nan 0.000 1.073 157 D N -2.632 117.785 120.400 0.028 0.000 2.592 157 D HA 0.132 4.772 4.640 -0.000 0.000 0.263 157 D C -0.066 176.237 176.300 0.005 0.000 1.132 157 D CA -0.700 53.310 54.000 0.016 0.000 0.996 157 D CB 0.700 41.511 40.800 0.019 0.000 1.442 157 D HN 0.367 nan 8.370 nan 0.000 0.486 158 Q N -0.830 118.968 119.800 -0.003 0.000 2.508 158 Q HA -0.051 4.289 4.340 -0.000 0.000 0.214 158 Q C 0.244 176.222 176.000 -0.036 0.000 0.979 158 Q CA 0.514 56.307 55.803 -0.017 0.000 0.911 158 Q CB -0.152 28.579 28.738 -0.012 0.000 0.969 158 Q HN 0.287 nan 8.270 nan 0.000 0.504 159 M N 3.490 123.075 119.600 -0.025 0.000 2.251 159 M HA 0.210 4.690 4.480 -0.000 0.000 0.346 159 M C -2.271 173.974 176.300 -0.092 0.000 1.499 159 M CA -2.678 52.599 55.300 -0.037 0.000 1.128 159 M CB 0.589 33.192 32.600 0.005 0.000 1.809 159 M HN 0.092 nan 8.290 nan 0.000 0.464 160 P HA 0.251 nan 4.420 nan 0.000 0.271 160 P C -1.222 175.868 177.300 -0.350 0.000 1.216 160 P CA -0.056 62.759 63.100 -0.475 0.000 0.771 160 P CB 0.381 31.470 31.700 -1.019 0.000 0.864 161 R N 1.395 121.812 120.500 -0.138 0.000 2.668 161 R HA 0.707 5.047 4.340 -0.000 0.000 0.272 161 R C -0.885 175.532 176.300 0.194 0.000 1.019 161 R CA -1.193 54.961 56.100 0.089 0.000 0.894 161 R CB 2.096 32.385 30.300 -0.018 0.000 1.228 161 R HN 0.334 nan 8.270 nan 0.000 0.460 162 R N 1.988 122.595 120.500 0.178 0.000 2.562 162 R HA 0.476 4.816 4.340 -0.000 0.000 0.298 162 R C -1.474 174.722 176.300 -0.172 0.000 0.961 162 R CA -0.639 55.507 56.100 0.076 0.000 0.881 162 R CB 1.208 31.530 30.300 0.038 0.000 1.159 162 R HN 0.544 nan 8.270 nan 0.000 0.450 163 F N 4.128 123.761 119.950 -0.529 0.000 2.347 163 F HA 0.356 4.883 4.527 0.000 0.000 0.366 163 F C -0.736 174.670 175.800 -0.657 0.000 1.107 163 F CA -0.669 56.946 58.000 -0.641 0.000 1.058 163 F CB 0.848 39.147 39.000 -1.169 0.000 1.236 163 F HN 0.399 nan 8.300 nan 0.000 0.456 164 Y N 3.104 123.337 120.300 -0.113 0.000 2.316 164 Y HA 0.216 4.766 4.550 -0.000 0.000 0.331 164 Y C 0.990 176.900 175.900 0.017 0.000 1.083 164 Y CA -0.353 57.711 58.100 -0.061 0.000 1.206 164 Y CB 1.075 39.496 38.460 -0.065 0.000 1.195 164 Y HN 0.482 nan 8.280 nan 0.000 0.497 165 L N 2.725 124.064 121.223 0.193 0.000 2.072 165 L HA 0.076 4.416 4.340 -0.000 0.000 0.205 165 L C 0.993 177.960 176.870 0.161 0.000 1.079 165 L CA 1.206 56.169 54.840 0.205 0.000 0.752 165 L CB -0.491 41.687 42.059 0.199 0.000 0.906 165 L HN 0.690 nan 8.230 nan 0.000 0.436 166 A N -1.912 120.995 122.820 0.145 0.000 2.384 166 A HA 0.699 5.019 4.320 -0.000 0.000 0.312 166 A C 0.069 177.676 177.584 0.039 0.000 1.113 166 A CA -0.135 51.947 52.037 0.076 0.000 0.779 166 A CB 0.916 19.942 19.000 0.043 0.000 1.307 166 A HN 0.393 nan 8.150 nan 0.000 0.436 167 G N 1.131 109.927 108.800 -0.006 0.000 2.850 167 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.686 167 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.686 167 G C -0.760 174.094 174.900 -0.077 0.000 1.164 167 G CA -0.557 44.510 45.100 -0.054 0.000 0.826 167 G HN 0.889 nan 8.290 nan 0.000 0.586 168 N N 2.620 121.275 118.700 -0.075 0.000 2.430 168 N HA 0.480 5.220 4.740 -0.000 0.000 0.265 168 N C 0.406 175.844 175.510 -0.120 0.000 1.100 168 N CA 0.583 53.584 53.050 -0.081 0.000 0.961 168 N CB 1.212 39.663 38.487 -0.061 0.000 1.075 168 N HN 1.006 nan 8.380 nan 0.000 0.478 169 Q N 0.332 120.047 119.800 -0.142 0.000 2.889 169 Q HA 0.058 4.398 4.340 -0.000 0.000 0.262 169 Q C -1.583 174.314 176.000 -0.172 0.000 0.966 169 Q CA -0.760 54.937 55.803 -0.176 0.000 0.858 169 Q CB 0.449 29.030 28.738 -0.260 0.000 1.845 169 Q HN 0.610 nan 8.270 nan 0.000 0.464 170 E N 1.583 121.692 120.200 -0.152 0.000 2.283 170 E HA 0.303 4.653 4.350 -0.000 0.000 0.278 170 E C -0.035 176.485 176.600 -0.134 0.000 1.027 170 E CA -0.775 55.549 56.400 -0.126 0.000 0.843 170 E CB 1.421 31.053 29.700 -0.113 0.000 1.062 170 E HN 0.565 nan 8.360 nan 0.000 0.401 171 Q N 2.703 122.466 119.800 -0.063 0.000 2.386 171 Q HA -0.105 4.235 4.340 -0.000 0.000 0.282 171 Q C -0.106 175.837 176.000 -0.095 0.000 1.050 171 Q CA 0.391 56.210 55.803 0.026 0.000 0.918 171 Q CB 0.780 29.557 28.738 0.066 0.000 1.266 171 Q HN 0.688 nan 8.270 nan 0.000 0.423 172 E N 2.360 122.450 120.200 -0.183 0.000 2.171 172 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 172 E C 0.356 176.639 176.600 -0.529 0.000 0.997 172 E CA 1.638 57.771 56.400 -0.444 0.000 0.810 172 E CB -0.160 29.097 29.700 -0.739 0.000 0.738 172 E HN 0.590 nan 8.360 nan 0.000 0.467 173 F N -0.059 119.888 119.950 -0.006 0.000 2.684 173 F HA 0.219 4.746 4.527 -0.000 0.000 0.298 173 F C 1.359 177.123 175.800 -0.059 0.000 1.120 173 F CA -0.274 57.745 58.000 0.032 0.000 1.332 173 F CB 0.148 39.245 39.000 0.160 0.000 0.986 173 F HN 0.008 nan 8.300 nan 0.000 0.524 174 L N 0.406 121.611 121.223 -0.030 0.000 2.131 174 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 174 L C 2.552 179.353 176.870 -0.116 0.000 1.087 174 L CA 1.550 56.356 54.840 -0.057 0.000 0.767 174 L CB -0.355 41.652 42.059 -0.088 0.000 0.917 174 L HN 0.107 nan 8.230 nan 0.000 0.441 175 K N 0.572 120.804 120.400 -0.281 0.000 2.059 175 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 175 K C 1.946 178.381 176.600 -0.275 0.000 1.050 175 K CA 2.017 58.069 56.287 -0.391 0.000 0.927 175 K CB -0.521 31.539 32.500 -0.734 0.000 0.714 175 K HN 0.419 nan 8.250 nan 0.000 0.447 176 Y N 0.794 121.133 120.300 0.066 0.000 2.544 176 Y HA 0.081 4.631 4.550 -0.000 0.000 0.286 176 Y C 2.408 178.336 175.900 0.048 0.000 1.141 176 Y CA 0.271 58.411 58.100 0.068 0.000 1.299 176 Y CB -0.233 38.292 38.460 0.110 0.000 1.030 176 Y HN 0.186 nan 8.280 nan 0.000 0.543 177 Q N 0.700 120.582 119.800 0.137 0.000 1.969 177 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 177 Q C 1.102 177.134 176.000 0.054 0.000 0.978 177 Q CA 1.176 57.027 55.803 0.080 0.000 0.830 177 Q CB -0.077 28.684 28.738 0.037 0.000 0.896 177 Q HN 0.590 nan 8.270 nan 0.000 0.431 199 G N -0.452 108.307 108.800 -0.069 0.000 2.710 199 G HA2 0.372 4.332 3.960 -0.000 0.000 0.668 199 G HA3 0.372 4.332 3.960 -0.000 0.000 0.668 199 G C 0.035 174.916 174.900 -0.031 0.000 1.320 199 G CA 0.285 45.354 45.100 -0.051 0.000 0.860 199 G HN 1.873 nan 8.290 nan 0.000 0.538 200 S N -1.166 114.535 115.700 0.001 0.000 2.767 200 S HA 0.723 5.193 4.470 -0.000 0.000 0.300 200 S C 2.006 176.638 174.600 0.053 0.000 1.123 200 S CA -0.033 58.200 58.200 0.056 0.000 0.992 200 S CB 1.423 64.679 63.200 0.094 0.000 1.138 200 S HN 1.833 nan 8.310 nan 0.000 0.550 201 I N -1.697 118.935 120.570 0.103 0.000 2.286 201 I HA -0.040 4.130 4.170 -0.000 0.000 0.248 201 I C 1.966 178.145 176.117 0.102 0.000 1.115 201 I CA 1.213 62.576 61.300 0.105 0.000 1.392 201 I CB -0.488 37.652 38.000 0.234 0.000 1.065 201 I HN 0.428 nan 8.210 nan 0.000 0.418 202 L N 1.874 123.212 121.223 0.192 0.000 2.156 202 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 202 L C 2.607 179.603 176.870 0.210 0.000 1.095 202 L CA 1.941 56.954 54.840 0.287 0.000 0.770 202 L CB -0.553 41.651 42.059 0.242 0.000 0.914 202 L HN 0.503 nan 8.230 nan 0.000 0.439 203 S N -1.979 113.778 115.700 0.095 0.000 2.720 203 S HA 0.101 4.571 4.470 -0.000 0.000 0.222 203 S C 1.611 176.216 174.600 0.008 0.000 0.958 203 S CA 0.307 58.539 58.200 0.054 0.000 0.943 203 S CB -0.385 62.827 63.200 0.020 0.000 0.779 203 S HN 0.379 nan 8.310 nan 0.000 0.526 204 G N 0.088 108.856 108.800 -0.053 0.000 2.709 204 G HA2 0.326 4.286 3.960 -0.000 0.000 0.208 204 G HA3 0.326 4.286 3.960 -0.000 0.000 0.208 204 G C 0.134 174.927 174.900 -0.178 0.000 1.129 204 G CA -0.416 44.588 45.100 -0.160 0.000 0.793 204 G HN 0.421 nan 8.290 nan 0.000 0.524 205 F N 1.660 121.642 119.950 0.053 0.000 2.440 205 F HA 0.344 4.871 4.527 -0.000 0.000 0.323 205 F C 1.311 177.118 175.800 0.012 0.000 1.192 205 F CA -0.222 57.801 58.000 0.038 0.000 1.252 205 F CB 0.307 39.399 39.000 0.154 0.000 1.214 205 F HN -0.265 nan 8.300 nan 0.000 0.578 206 T N 3.058 117.731 114.554 0.199 0.000 2.930 206 T HA 0.008 4.358 4.350 -0.000 0.000 0.306 206 T C 1.228 176.040 174.700 0.186 0.000 1.045 206 T CA -0.428 61.724 62.100 0.087 0.000 1.134 206 T CB 0.568 69.375 68.868 -0.103 0.000 0.961 206 T HN 0.420 nan 8.240 nan 0.000 0.545 207 L N 3.115 124.417 121.223 0.131 0.000 2.129 207 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 207 L C 2.275 179.243 176.870 0.164 0.000 1.087 207 L CA 1.836 56.754 54.840 0.130 0.000 0.757 207 L CB -0.775 41.335 42.059 0.084 0.000 0.896 207 L HN 0.693 nan 8.230 nan 0.000 0.434 208 E N -2.558 117.759 120.200 0.196 0.000 2.318 208 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 208 E C 2.188 178.999 176.600 0.352 0.000 0.998 208 E CA 0.447 56.989 56.400 0.237 0.000 0.859 208 E CB -0.578 29.256 29.700 0.223 0.000 0.812 208 E HN 0.323 nan 8.360 nan 0.000 0.492 209 F N 1.405 121.412 119.950 0.094 0.000 2.206 209 F HA -0.049 4.478 4.527 0.000 0.000 0.298 209 F C 2.043 177.849 175.800 0.010 0.000 1.090 209 F CA 0.565 58.572 58.000 0.011 0.000 1.323 209 F CB -0.178 38.789 39.000 -0.054 0.000 1.028 209 F HN -0.034 nan 8.300 nan 0.000 0.492 210 L N -0.314 121.081 121.223 0.288 0.000 2.072 210 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 210 L C 2.295 179.362 176.870 0.328 0.000 1.079 210 L CA 1.435 56.483 54.840 0.346 0.000 0.752 210 L CB -1.687 40.572 42.059 0.334 0.000 0.906 210 L HN 0.183 nan 8.230 nan 0.000 0.436 211 E N -0.805 119.536 120.200 0.234 0.000 2.097 211 E HA -0.300 4.050 4.350 -0.000 0.000 0.196 211 E C 2.324 179.032 176.600 0.180 0.000 1.000 211 E CA 1.447 57.955 56.400 0.180 0.000 0.804 211 E CB 0.014 29.797 29.700 0.139 0.000 0.740 211 E HN 0.425 nan 8.360 nan 0.000 0.454 212 H N -0.221 118.876 119.070 0.045 0.000 2.333 212 H HA 0.079 4.635 4.556 -0.000 0.000 0.302 212 H C 1.772 177.053 175.328 -0.079 0.000 1.075 212 H CA 1.758 57.784 56.048 -0.036 0.000 1.348 212 H CB -0.392 29.307 29.762 -0.105 0.000 1.393 212 H HN 0.228 nan 8.280 nan 0.000 0.509 213 A N 0.152 122.980 122.820 0.014 0.000 1.858 213 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 213 A C 2.287 179.729 177.584 -0.238 0.000 1.190 213 A CA 1.496 53.402 52.037 -0.219 0.000 0.617 213 A CB -1.223 17.542 19.000 -0.391 0.000 0.827 213 A HN 0.367 nan 8.150 nan 0.000 0.443 214 F N -0.252 119.696 119.950 -0.003 0.000 2.661 214 F HA 0.121 4.648 4.527 -0.000 0.000 0.298 214 F C 1.524 177.331 175.800 0.010 0.000 1.137 214 F CA 1.033 59.036 58.000 0.005 0.000 1.454 214 F CB 0.037 39.045 39.000 0.014 0.000 1.103 214 F HN 0.247 nan 8.300 nan 0.000 0.577 215 S N 0.347 116.142 115.700 0.158 0.000 3.884 215 S HA -0.107 4.363 4.470 -0.000 0.000 0.374 215 S C -0.387 174.268 174.600 0.091 0.000 0.971 215 S CA 0.213 58.469 58.200 0.093 0.000 1.152 215 S CB -1.842 61.390 63.200 0.054 0.000 0.877 215 S HN 0.493 nan 8.310 nan 0.000 0.491 216 V N -0.923 119.055 119.914 0.106 0.000 3.182 216 V HA 0.843 4.963 4.120 -0.000 0.000 0.308 216 V C 0.019 176.146 176.094 0.055 0.000 1.240 216 V CA -0.556 61.787 62.300 0.071 0.000 1.063 216 V CB 1.705 33.570 31.823 0.069 0.000 1.076 216 V HN 0.537 nan 8.190 nan 0.000 0.446 217 D N 0.199 120.620 120.400 0.033 0.000 2.344 217 D HA 0.159 4.799 4.640 -0.000 0.000 0.244 217 D C 0.727 177.044 176.300 0.027 0.000 1.134 217 D CA -0.504 53.511 54.000 0.026 0.000 0.930 217 D CB 1.456 42.264 40.800 0.014 0.000 1.175 217 D HN 0.589 nan 8.370 nan 0.000 0.437 218 K N 0.453 120.870 120.400 0.028 0.000 2.097 218 K HA -0.292 4.028 4.320 -0.000 0.000 0.214 218 K C 2.033 178.644 176.600 0.018 0.000 1.052 218 K CA 1.932 58.236 56.287 0.028 0.000 0.932 218 K CB -0.142 32.372 32.500 0.023 0.000 0.716 218 K HN 0.545 nan 8.250 nan 0.000 0.455 219 Q N 0.097 119.902 119.800 0.009 0.000 1.993 219 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 219 Q C 2.170 178.165 176.000 -0.008 0.000 0.984 219 Q CA 1.766 57.569 55.803 0.000 0.000 0.837 219 Q CB -0.147 28.590 28.738 -0.003 0.000 0.902 219 Q HN 0.521 nan 8.270 nan 0.000 0.423 220 I N -2.336 118.226 120.570 -0.013 0.000 3.564 220 I HA 0.116 4.286 4.170 -0.000 0.000 0.294 220 I C 1.647 177.732 176.117 -0.053 0.000 1.289 220 I CA 0.662 61.941 61.300 -0.035 0.000 1.325 220 I CB 0.032 38.009 38.000 -0.038 0.000 1.039 220 I HN 0.015 nan 8.210 nan 0.000 0.474 221 A N 1.499 124.308 122.820 -0.018 0.000 1.935 221 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 221 A C 2.336 179.921 177.584 0.002 0.000 1.178 221 A CA 1.018 53.054 52.037 -0.001 0.000 0.640 221 A CB -0.310 18.722 19.000 0.054 0.000 0.825 221 A HN 0.424 nan 8.150 nan 0.000 0.447 222 K N -0.314 120.088 120.400 0.003 0.000 2.211 222 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 222 K C 1.731 178.323 176.600 -0.014 0.000 1.050 222 K CA 1.372 57.661 56.287 0.004 0.000 0.945 222 K CB -0.137 32.365 32.500 0.004 0.000 0.732 222 K HN 0.503 nan 8.250 nan 0.000 0.451 223 N N -0.098 118.583 118.700 -0.032 0.000 2.135 223 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 223 N C 1.301 176.774 175.510 -0.061 0.000 1.027 223 N CA 0.729 53.752 53.050 -0.045 0.000 0.849 223 N CB 0.012 38.466 38.487 -0.054 0.000 1.002 223 N HN -0.020 nan 8.380 nan 0.000 0.425 224 L N 0.864 122.029 121.223 -0.097 0.000 2.131 224 L HA -0.042 4.298 4.340 -0.000 0.000 0.210 224 L C 1.071 177.915 176.870 -0.043 0.000 1.092 224 L CA 1.352 56.113 54.840 -0.131 0.000 0.759 224 L CB -0.498 41.382 42.059 -0.298 0.000 0.903 224 L HN 0.294 nan 8.230 nan 0.000 0.435 225 Q N -0.510 119.286 119.800 -0.008 0.000 3.026 225 Q HA 0.221 4.561 4.340 -0.000 0.000 0.258 225 Q C 1.178 177.186 176.000 0.013 0.000 1.388 225 Q CA 0.455 56.279 55.803 0.035 0.000 1.000 225 Q CB -0.418 28.354 28.738 0.057 0.000 1.634 225 Q HN 0.493 nan 8.270 nan 0.000 0.571 226 G N 2.546 111.348 108.800 0.004 0.000 4.862 226 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.344 226 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.344 226 G C 0.189 175.078 174.900 -0.019 0.000 1.365 226 G CA 0.625 45.719 45.100 -0.010 0.000 1.066 226 G HN 0.654 nan 8.290 nan 0.000 0.808 234 G N 1.070 109.813 108.800 -0.095 0.000 2.945 234 G HA2 0.497 4.457 3.960 -0.000 0.000 0.156 234 G HA3 0.497 4.457 3.960 -0.000 0.000 0.156 234 G C 0.958 175.750 174.900 -0.180 0.000 1.375 234 G CA -0.148 44.860 45.100 -0.154 0.000 1.039 234 G HN 0.643 nan 8.290 nan 0.000 0.586 235 A N -0.862 121.787 122.820 -0.286 0.000 2.042 235 A HA 0.036 4.356 4.320 -0.000 0.000 0.222 235 A C 1.165 178.710 177.584 -0.066 0.000 1.167 235 A CA 1.033 52.891 52.037 -0.299 0.000 0.649 235 A CB -0.578 18.187 19.000 -0.391 0.000 0.809 235 A HN 0.365 nan 8.150 nan 0.000 0.457 236 I N 0.754 121.303 120.570 -0.033 0.000 2.460 236 I HA 0.233 4.403 4.170 -0.000 0.000 0.277 236 I C -0.786 175.345 176.117 0.023 0.000 1.057 236 I CA -0.572 60.747 61.300 0.031 0.000 1.179 236 I CB 1.503 39.531 38.000 0.047 0.000 1.329 236 I HN -0.146 nan 8.210 nan 0.000 0.478 237 V N 4.157 124.091 119.914 0.034 0.000 2.785 237 V HA 0.295 4.415 4.120 -0.000 0.000 0.300 237 V C 0.684 176.811 176.094 0.056 0.000 1.062 237 V CA -0.325 61.992 62.300 0.028 0.000 1.029 237 V CB 1.911 33.745 31.823 0.018 0.000 1.024 237 V HN 0.753 nan 8.190 nan 0.000 0.477 238 T N 1.244 115.824 114.554 0.044 0.000 2.767 238 T HA 0.521 4.871 4.350 -0.000 0.000 0.288 238 T C -0.459 174.281 174.700 0.066 0.000 0.963 238 T CA -0.614 61.522 62.100 0.061 0.000 1.019 238 T CB 1.196 70.088 68.868 0.040 0.000 0.923 238 T HN 0.267 nan 8.240 nan 0.000 0.468 239 V N 5.131 125.112 119.914 0.112 0.000 2.338 239 V HA 0.160 4.280 4.120 -0.000 0.000 0.255 239 V C 1.926 178.073 176.094 0.087 0.000 1.082 239 V CA -0.485 61.877 62.300 0.102 0.000 0.951 239 V CB 0.037 31.959 31.823 0.164 0.000 1.102 239 V HN 1.007 nan 8.190 nan 0.000 0.489 240 K N 4.125 124.554 120.400 0.047 0.000 2.007 240 K HA -0.300 4.020 4.320 -0.000 0.000 0.231 240 K C 1.902 178.525 176.600 0.039 0.000 1.044 240 K CA 2.678 58.985 56.287 0.034 0.000 0.996 240 K CB -0.506 32.004 32.500 0.016 0.000 0.738 240 K HN 0.745 nan 8.250 nan 0.000 0.447 241 G N -0.682 108.137 108.800 0.032 0.000 2.404 241 G HA2 0.243 4.203 3.960 -0.000 0.000 0.214 241 G HA3 0.243 4.203 3.960 -0.000 0.000 0.214 241 G C 0.491 175.426 174.900 0.059 0.000 1.189 241 G CA 0.755 45.875 45.100 0.032 0.000 0.789 241 G HN 0.824 nan 8.290 nan 0.000 0.533 242 G N -1.452 107.390 108.800 0.071 0.000 2.326 242 G HA2 0.255 4.215 3.960 -0.000 0.000 0.478 242 G HA3 0.255 4.215 3.960 -0.000 0.000 0.478 242 G C -1.357 173.544 174.900 0.001 0.000 1.551 242 G CA -0.866 44.312 45.100 0.130 0.000 0.946 242 G HN 0.504 nan 8.290 nan 0.000 0.671 243 L N 1.888 123.017 121.223 -0.157 0.000 2.485 243 L HA 0.506 4.846 4.340 -0.000 0.000 0.279 243 L C 1.694 178.429 176.870 -0.225 0.000 1.124 243 L CA 0.756 55.373 54.840 -0.371 0.000 0.888 243 L CB 1.277 42.788 42.059 -0.914 0.000 1.217 243 L HN 0.697 nan 8.230 nan 0.000 0.464 244 S N 3.067 118.689 115.700 -0.129 0.000 2.803 244 S HA 0.101 4.571 4.470 -0.000 0.000 0.228 244 S C 0.286 174.847 174.600 -0.065 0.000 0.953 244 S CA -0.517 57.643 58.200 -0.067 0.000 0.983 244 S CB -0.401 62.773 63.200 -0.043 0.000 0.784 244 S HN 0.326 nan 8.310 nan 0.000 0.498 245 V N 3.158 123.009 119.914 -0.105 0.000 2.415 245 V HA 0.223 4.343 4.120 -0.000 0.000 0.267 245 V C 0.675 176.759 176.094 -0.018 0.000 1.042 245 V CA -0.803 61.455 62.300 -0.070 0.000 1.000 245 V CB -0.292 31.460 31.823 -0.118 0.000 1.015 245 V HN 0.496 nan 8.190 nan 0.000 0.478 246 I N 4.847 125.423 120.570 0.009 0.000 3.156 246 I HA -0.124 4.046 4.170 -0.000 0.000 0.327 246 I C 0.813 176.944 176.117 0.024 0.000 1.194 246 I CA 0.793 62.105 61.300 0.019 0.000 1.473 246 I CB 0.113 38.128 38.000 0.024 0.000 1.294 246 I HN 0.676 nan 8.210 nan 0.000 0.548 247 K N 9.183 129.596 120.400 0.021 0.000 2.285 247 K HA 0.324 4.644 4.320 -0.000 0.000 0.286 247 K C -2.143 174.459 176.600 0.004 0.000 1.072 247 K CA -1.417 54.880 56.287 0.018 0.000 0.913 247 K CB 0.420 32.929 32.500 0.016 0.000 1.067 247 K HN 0.544 nan 8.250 nan 0.000 0.479 298 c N 1.669 120.034 118.600 -0.391 0.000 2.413 298 c HA -0.108 4.462 4.570 -0.000 0.000 0.276 298 c C 2.566 176.575 174.090 -0.135 0.000 1.248 298 c CA 2.122 58.286 56.329 -0.274 0.000 1.742 298 c CB -1.620 40.801 42.510 -0.148 0.000 2.017 298 c HN 0.744 nan 8.230 nan 0.000 0.481 299 T N -2.038 112.453 114.554 -0.105 0.000 3.113 299 T HA 0.074 4.424 4.350 -0.000 0.000 0.256 299 T C 0.609 175.294 174.700 -0.026 0.000 1.131 299 T CA 0.099 62.177 62.100 -0.035 0.000 1.074 299 T CB -0.300 68.552 68.868 -0.027 0.000 0.944 299 T HN 0.515 nan 8.240 nan 0.000 0.516 300 M N 2.856 122.392 119.600 -0.107 0.000 2.303 300 M HA 0.115 4.595 4.480 -0.000 0.000 0.350 300 M C 0.433 176.690 176.300 -0.070 0.000 1.518 300 M CA -0.258 54.971 55.300 -0.119 0.000 1.070 300 M CB 0.408 32.842 32.600 -0.276 0.000 1.910 300 M HN 0.086 nan 8.290 nan 0.000 0.458 301 R N 6.977 127.483 120.500 0.010 0.000 2.413 301 R HA 0.104 4.444 4.340 -0.000 0.000 0.333 301 R C -0.484 175.877 176.300 0.101 0.000 1.074 301 R CA -0.197 55.932 56.100 0.049 0.000 0.982 301 R CB 0.013 30.374 30.300 0.102 0.000 0.981 301 R HN 0.689 nan 8.270 nan 0.000 0.452 302 L N 3.672 124.860 121.223 -0.057 0.000 2.865 302 L HA 0.466 4.806 4.340 -0.000 0.000 0.233 302 L C -0.129 176.766 176.870 0.042 0.000 1.320 302 L CA 0.066 54.944 54.840 0.063 0.000 1.225 302 L CB -0.897 41.121 42.059 -0.068 0.000 1.542 302 L HN 0.625 nan 8.230 nan 0.000 0.432 303 R N 0.778 121.281 120.500 0.006 0.000 2.633 303 R HA 0.480 4.820 4.340 -0.000 0.000 0.255 303 R C -1.990 173.977 176.300 -0.555 0.000 1.106 303 R CA -0.670 55.285 56.100 -0.242 0.000 0.959 303 R CB 2.106 32.348 30.300 -0.096 0.000 1.259 303 R HN 0.552 nan 8.270 nan 0.000 0.453 304 H N 1.785 120.360 119.070 -0.826 0.000 3.099 304 H HA 0.233 4.789 4.556 -0.000 0.000 0.342 304 H C -1.555 173.491 175.328 -0.470 0.000 1.054 304 H CA -0.555 55.003 56.048 -0.816 0.000 1.328 304 H CB 1.450 30.277 29.762 -1.557 0.000 1.876 304 H HN 0.474 nan 8.280 nan 0.000 0.495 305 N N 5.313 123.707 118.700 -0.510 0.000 2.437 305 N HA 0.105 4.845 4.740 -0.000 0.000 0.243 305 N C 0.813 176.182 175.510 -0.234 0.000 1.041 305 N CA -0.086 52.771 53.050 -0.321 0.000 0.940 305 N CB 0.587 38.903 38.487 -0.285 0.000 1.133 305 N HN 0.726 nan 8.380 nan 0.000 0.506 306 I N 0.753 121.255 120.570 -0.113 0.000 3.783 306 I HA 0.359 4.529 4.170 -0.000 0.000 0.310 306 I C 1.336 177.344 176.117 -0.182 0.000 1.274 306 I CA -0.519 60.762 61.300 -0.031 0.000 1.294 306 I CB 0.098 38.159 38.000 0.101 0.000 1.051 306 I HN 0.212 nan 8.210 nan 0.000 0.435 307 G N 1.135 109.709 108.800 -0.376 0.000 2.441 307 G HA2 0.027 3.987 3.960 -0.000 0.000 0.258 307 G HA3 0.027 3.987 3.960 -0.000 0.000 0.258 307 G C 0.577 175.074 174.900 -0.671 0.000 1.487 307 G CA 0.029 44.610 45.100 -0.864 0.000 1.058 307 G HN 0.332 nan 8.290 nan 0.000 0.552 308 Q N -1.065 118.389 119.800 -0.576 0.000 2.226 308 Q HA -0.002 4.338 4.340 -0.000 0.000 0.204 308 Q C 1.099 177.024 176.000 -0.125 0.000 0.975 308 Q CA 1.274 56.960 55.803 -0.196 0.000 0.866 308 Q CB 0.043 28.723 28.738 -0.097 0.000 0.915 308 Q HN 0.313 nan 8.270 nan 0.000 0.440 309 T N 0.246 114.702 114.554 -0.162 0.000 3.471 309 T HA 0.420 4.770 4.350 -0.000 0.000 0.355 309 T C -0.614 174.004 174.700 -0.137 0.000 1.775 309 T CA -0.296 61.728 62.100 -0.127 0.000 1.305 309 T CB 0.441 69.238 68.868 -0.118 0.000 1.171 309 T HN -0.002 nan 8.240 nan 0.000 0.776 310 S N 1.011 116.639 115.700 -0.119 0.000 2.794 310 S HA 0.708 5.178 4.470 -0.000 0.000 0.299 310 S C -0.889 173.656 174.600 -0.092 0.000 1.179 310 S CA -0.782 57.352 58.200 -0.111 0.000 0.838 310 S CB 1.375 64.516 63.200 -0.098 0.000 1.206 310 S HN 0.442 nan 8.310 nan 0.000 0.523 311 S N 2.957 118.613 115.700 -0.074 0.000 2.601 311 S HA 0.545 5.015 4.470 -0.000 0.000 0.312 311 S C -2.681 171.900 174.600 -0.031 0.000 1.107 311 S CA -1.101 57.062 58.200 -0.061 0.000 1.129 311 S CB 0.690 63.863 63.200 -0.044 0.000 0.982 311 S HN 0.596 nan 8.310 nan 0.000 0.469 312 P HA 0.262 nan 4.420 nan 0.000 0.270 312 P C -0.376 176.950 177.300 0.044 0.000 1.223 312 P CA -0.140 62.971 63.100 0.018 0.000 0.785 312 P CB 0.808 32.522 31.700 0.024 0.000 0.923 313 D N 0.340 120.765 120.400 0.043 0.000 2.214 313 D HA 0.060 4.700 4.640 -0.000 0.000 0.217 313 D C 0.306 176.640 176.300 0.057 0.000 0.973 313 D CA 1.154 55.171 54.000 0.029 0.000 0.880 313 D CB -0.237 40.554 40.800 -0.016 0.000 1.031 313 D HN 0.266 nan 8.370 nan 0.000 0.468 314 I N 0.063 120.676 120.570 0.072 0.000 2.377 314 I HA 0.277 4.447 4.170 -0.000 0.000 0.293 314 I C -1.177 175.069 176.117 0.216 0.000 0.987 314 I CA -0.863 60.512 61.300 0.126 0.000 1.185 314 I CB 1.311 39.391 38.000 0.134 0.000 1.341 314 I HN -0.075 nan 8.210 nan 0.000 0.455 315 Y N 6.673 127.009 120.300 0.060 0.000 2.421 315 Y HA 0.608 5.158 4.550 -0.000 0.000 0.339 315 Y C -1.315 174.617 175.900 0.053 0.000 0.996 315 Y CA -1.418 56.713 58.100 0.051 0.000 1.046 315 Y CB 1.616 40.101 38.460 0.042 0.000 1.226 315 Y HN 0.604 nan 8.280 nan 0.000 0.445 316 N N 8.137 126.545 118.700 -0.486 0.000 2.571 316 N HA 0.300 5.040 4.740 -0.000 0.000 0.286 316 N C -2.591 172.599 175.510 -0.534 0.000 1.138 316 N CA -1.842 50.919 53.050 -0.480 0.000 0.859 316 N CB 2.651 40.997 38.487 -0.235 0.000 1.414 316 N HN 0.414 nan 8.380 nan 0.000 0.529 317 P HA -0.105 nan 4.420 nan 0.000 0.225 317 P C 0.631 177.850 177.300 -0.135 0.000 1.148 317 P CA 1.102 64.019 63.100 -0.306 0.000 0.779 317 P CB 0.730 32.294 31.700 -0.226 0.000 0.780 318 Q N -1.123 118.576 119.800 -0.169 0.000 2.376 318 Q HA 0.195 4.535 4.340 -0.000 0.000 0.206 318 Q C 1.840 177.760 176.000 -0.133 0.000 0.921 318 Q CA 0.768 56.492 55.803 -0.131 0.000 0.911 318 Q CB 0.145 28.791 28.738 -0.153 0.000 1.032 318 Q HN 0.212 nan 8.270 nan 0.000 0.510 319 A N -0.693 122.032 122.820 -0.159 0.000 2.358 319 A HA 0.550 4.870 4.320 -0.000 0.000 0.223 319 A C 0.773 178.344 177.584 -0.021 0.000 1.218 319 A CA 0.680 52.649 52.037 -0.113 0.000 0.942 319 A CB 0.708 19.600 19.000 -0.180 0.000 1.005 319 A HN 0.349 nan 8.150 nan 0.000 0.514 320 G N -0.760 108.051 108.800 0.019 0.000 2.337 320 G HA2 0.407 4.366 3.960 -0.000 0.000 0.197 320 G HA3 0.407 4.366 3.960 -0.000 0.000 0.197 320 G C -0.268 174.743 174.900 0.185 0.000 1.238 320 G CA 0.137 45.301 45.100 0.108 0.000 1.119 320 G HN 1.897 nan 8.290 nan 0.000 0.514 321 S N -2.051 113.753 115.700 0.173 0.000 2.567 321 S HA 0.792 5.262 4.470 -0.000 0.000 0.270 321 S C -1.096 173.555 174.600 0.085 0.000 1.152 321 S CA -0.002 58.318 58.200 0.200 0.000 0.835 321 S CB 1.875 65.234 63.200 0.265 0.000 1.115 321 S HN 1.920 nan 8.310 nan 0.000 0.459 322 V N 1.082 121.049 119.914 0.088 0.000 2.864 322 V HA 0.857 4.977 4.120 -0.000 0.000 0.314 322 V C -0.458 175.639 176.094 0.005 0.000 1.073 322 V CA -0.542 61.756 62.300 -0.004 0.000 0.956 322 V CB 2.104 33.912 31.823 -0.025 0.000 1.023 322 V HN 1.089 nan 8.190 nan 0.000 0.435 323 T N 1.810 116.367 114.554 0.006 0.000 2.921 323 T HA 0.619 4.969 4.350 -0.000 0.000 0.297 323 T C -0.637 174.076 174.700 0.021 0.000 1.013 323 T CA -0.553 61.575 62.100 0.048 0.000 0.990 323 T CB 1.788 70.735 68.868 0.132 0.000 1.023 323 T HN 0.787 nan 8.240 nan 0.000 0.447 324 T N 1.463 116.021 114.554 0.007 0.000 2.841 324 T HA 0.709 5.059 4.350 -0.000 0.000 0.285 324 T C -0.390 174.323 174.700 0.021 0.000 0.991 324 T CA -0.842 61.251 62.100 -0.011 0.000 0.966 324 T CB 1.695 70.522 68.868 -0.067 0.000 0.962 324 T HN 0.714 nan 8.240 nan 0.000 0.438 325 A N 3.184 126.017 122.820 0.022 0.000 2.540 325 A HA 0.645 4.965 4.320 -0.000 0.000 0.340 325 A C 0.854 178.432 177.584 -0.010 0.000 1.424 325 A CA -0.730 51.300 52.037 -0.011 0.000 0.940 325 A CB -0.341 18.670 19.000 0.017 0.000 1.149 325 A HN 0.905 nan 8.150 nan 0.000 0.505 326 T N -0.971 113.565 114.554 -0.029 0.000 2.865 326 T HA 0.353 4.703 4.350 -0.000 0.000 0.302 326 T C 1.373 176.042 174.700 -0.052 0.000 1.078 326 T CA 0.294 62.373 62.100 -0.035 0.000 0.942 326 T CB 0.549 69.397 68.868 -0.033 0.000 1.387 326 T HN 0.914 nan 8.240 nan 0.000 0.557 327 S N -0.529 115.136 115.700 -0.059 0.000 2.593 327 S HA 0.087 4.557 4.470 -0.000 0.000 0.217 327 S C 1.880 176.459 174.600 -0.034 0.000 0.966 327 S CA -0.408 57.747 58.200 -0.076 0.000 0.914 327 S CB -0.555 62.601 63.200 -0.073 0.000 0.776 327 S HN 0.511 nan 8.310 nan 0.000 0.523 328 L N 2.618 123.831 121.223 -0.017 0.000 2.083 328 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 328 L C 1.387 178.275 176.870 0.028 0.000 1.083 328 L CA 2.413 57.255 54.840 0.004 0.000 0.752 328 L CB -0.957 41.104 42.059 0.002 0.000 0.899 328 L HN 0.515 nan 8.230 nan 0.000 0.433 329 D N -3.079 117.341 120.400 0.033 0.000 2.423 329 D HA -0.055 4.585 4.640 -0.000 0.000 0.212 329 D C 0.356 176.737 176.300 0.135 0.000 1.060 329 D CA -0.077 53.974 54.000 0.085 0.000 0.872 329 D CB 0.056 40.917 40.800 0.101 0.000 1.012 329 D HN 0.054 nan 8.370 nan 0.000 0.503 330 F N 2.101 121.933 119.950 -0.197 0.000 2.691 330 F HA 0.388 4.915 4.527 -0.000 0.000 0.371 330 F C -2.369 173.374 175.800 -0.095 0.000 1.159 330 F CA -3.185 54.689 58.000 -0.210 0.000 1.174 330 F CB 1.666 40.319 39.000 -0.579 0.000 1.419 330 F HN -0.254 nan 8.300 nan 0.000 0.514 331 P HA -0.032 nan 4.420 nan 0.000 0.229 331 P C 1.090 178.313 177.300 -0.128 0.000 1.160 331 P CA 1.040 64.113 63.100 -0.045 0.000 0.777 331 P CB 0.219 31.940 31.700 0.036 0.000 0.814 332 A N -0.412 122.226 122.820 -0.303 0.000 2.216 332 A HA -0.059 4.261 4.320 -0.000 0.000 0.214 332 A C 1.978 179.344 177.584 -0.364 0.000 1.160 332 A CA 0.692 52.528 52.037 -0.335 0.000 0.725 332 A CB -1.283 17.495 19.000 -0.370 0.000 0.784 332 A HN 0.103 nan 8.150 nan 0.000 0.472 333 L N 0.266 121.151 121.223 -0.563 0.000 2.395 333 L HA -0.039 4.301 4.340 -0.000 0.000 0.218 333 L C 2.542 179.330 176.870 -0.137 0.000 1.130 333 L CA 1.970 56.571 54.840 -0.398 0.000 0.826 333 L CB -0.361 41.394 42.059 -0.506 0.000 0.941 333 L HN 0.495 nan 8.230 nan 0.000 0.451 334 S N -3.186 112.478 115.700 -0.059 0.000 2.522 334 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 334 S C 1.613 176.213 174.600 -0.001 0.000 0.986 334 S CA 0.073 58.261 58.200 -0.020 0.000 0.929 334 S CB -0.653 62.538 63.200 -0.015 0.000 0.769 334 S HN 0.457 nan 8.310 nan 0.000 0.529 335 W N 1.715 122.941 121.300 -0.122 0.000 2.453 335 W HA 0.361 5.021 4.660 -0.000 0.000 0.289 335 W C 1.990 178.463 176.519 -0.077 0.000 1.215 335 W CA 0.132 57.428 57.345 -0.083 0.000 1.297 335 W CB -0.288 29.125 29.460 -0.078 0.000 1.113 335 W HN 0.241 nan 8.180 nan 0.000 0.551 336 L N -0.536 120.751 121.223 0.106 0.000 2.162 336 L HA 0.044 4.383 4.340 -0.000 0.000 0.205 336 L C 1.374 178.240 176.870 -0.006 0.000 1.086 336 L CA 0.700 55.560 54.840 0.034 0.000 0.778 336 L CB -0.466 41.583 42.059 -0.018 0.000 0.928 336 L HN -0.161 nan 8.230 nan 0.000 0.446 337 R N -0.008 120.476 120.500 -0.027 0.000 3.656 337 R HA -0.131 4.209 4.340 -0.000 0.000 0.297 337 R C -1.154 175.130 176.300 -0.026 0.000 1.166 337 R CA 0.514 56.593 56.100 -0.035 0.000 0.799 337 R CB -1.960 28.317 30.300 -0.038 0.000 1.285 337 R HN 0.280 nan 8.270 nan 0.000 0.477 338 L N -0.812 120.395 121.223 -0.026 0.000 2.370 338 L HA 0.714 5.054 4.340 -0.000 0.000 0.266 338 L C 0.194 177.068 176.870 0.007 0.000 1.002 338 L CA -0.789 54.051 54.840 -0.001 0.000 0.818 338 L CB 2.272 44.334 42.059 0.005 0.000 1.325 338 L HN 0.133 nan 8.230 nan 0.000 0.418 339 S N 0.799 116.527 115.700 0.047 0.000 2.667 339 S HA 0.963 5.433 4.470 -0.000 0.000 0.292 339 S C -1.313 173.354 174.600 0.111 0.000 1.126 339 S CA -0.168 58.063 58.200 0.052 0.000 0.881 339 S CB 2.110 65.320 63.200 0.016 0.000 1.132 339 S HN 0.782 nan 8.310 nan 0.000 0.492 340 A N 1.249 124.112 122.820 0.071 0.000 2.587 340 A HA 0.817 5.137 4.320 -0.000 0.000 0.293 340 A C -1.274 176.286 177.584 -0.039 0.000 1.087 340 A CA -0.557 51.477 52.037 -0.007 0.000 0.692 340 A CB 1.695 20.689 19.000 -0.010 0.000 1.291 340 A HN 0.797 nan 8.150 nan 0.000 0.407 341 E N 0.371 120.508 120.200 -0.105 0.000 2.308 341 E HA 0.569 4.919 4.350 -0.000 0.000 0.275 341 E C -2.160 174.376 176.600 -0.106 0.000 0.890 341 E CA -0.462 55.899 56.400 -0.064 0.000 0.754 341 E CB 1.718 31.391 29.700 -0.045 0.000 1.207 341 E HN 0.607 nan 8.360 nan 0.000 0.426 342 F N 2.542 122.329 119.950 -0.271 0.000 2.495 342 F HA 0.784 5.311 4.527 -0.000 0.000 0.327 342 F C -0.419 175.061 175.800 -0.533 0.000 1.103 342 F CA -0.263 57.482 58.000 -0.426 0.000 0.949 342 F CB 1.939 40.793 39.000 -0.245 0.000 1.142 342 F HN 0.447 nan 8.300 nan 0.000 0.457 343 G N 1.900 109.581 108.800 -1.865 0.000 2.620 343 G HA2 0.501 4.461 3.960 -0.000 0.000 0.301 343 G HA3 0.501 4.461 3.960 -0.000 0.000 0.301 343 G C -1.831 172.283 174.900 -1.311 0.000 1.347 343 G CA -0.902 43.343 45.100 -1.424 0.000 0.971 343 G HN 0.745 nan 8.290 nan 0.000 0.488 344 S N 1.229 116.575 115.700 -0.591 0.000 2.461 344 S HA 0.427 4.897 4.470 -0.000 0.000 0.216 344 S C -0.544 174.043 174.600 -0.021 0.000 1.201 344 S CA -0.569 57.446 58.200 -0.310 0.000 1.171 344 S CB -0.205 62.861 63.200 -0.224 0.000 1.169 344 S HN 0.507 nan 8.310 nan 0.000 0.456 345 L N 4.649 125.935 121.223 0.105 0.000 2.305 345 L HA 0.568 4.908 4.340 -0.000 0.000 0.281 345 L C 1.017 177.959 176.870 0.121 0.000 1.085 345 L CA -0.848 54.092 54.840 0.166 0.000 0.813 345 L CB 0.584 42.808 42.059 0.275 0.000 1.157 345 L HN 0.408 nan 8.230 nan 0.000 0.436 346 R N 2.068 122.610 120.500 0.070 0.000 2.738 346 R HA 0.126 4.466 4.340 -0.000 0.000 0.268 346 R C 0.007 176.327 176.300 0.033 0.000 1.062 346 R CA -0.470 55.657 56.100 0.046 0.000 1.158 346 R CB 0.369 30.679 30.300 0.017 0.000 1.046 346 R HN 0.473 nan 8.270 nan 0.000 0.493 347 K N 1.738 122.153 120.400 0.026 0.000 2.447 347 K HA -0.121 4.199 4.320 -0.000 0.000 0.281 347 K C -0.045 176.543 176.600 -0.021 0.000 1.031 347 K CA 0.727 57.018 56.287 0.007 0.000 1.019 347 K CB -0.013 32.492 32.500 0.008 0.000 0.918 347 K HN 0.609 nan 8.250 nan 0.000 0.476 348 N N 0.268 118.942 118.700 -0.043 0.000 2.863 348 N HA -0.259 4.481 4.740 -0.000 0.000 0.245 348 N C -0.825 174.638 175.510 -0.079 0.000 1.001 348 N CA 0.424 53.434 53.050 -0.067 0.000 0.901 348 N CB -0.731 37.723 38.487 -0.055 0.000 1.124 348 N HN 0.614 nan 8.380 nan 0.000 0.582 349 A N 0.625 123.404 122.820 -0.069 0.000 2.322 349 A HA 0.668 4.988 4.320 -0.000 0.000 0.269 349 A C 0.192 177.709 177.584 -0.111 0.000 1.094 349 A CA -0.191 51.797 52.037 -0.082 0.000 0.807 349 A CB 0.790 19.756 19.000 -0.057 0.000 1.047 349 A HN 0.287 nan 8.150 nan 0.000 0.487 350 M N 2.086 121.608 119.600 -0.129 0.000 2.530 350 M HA 0.693 5.173 4.480 -0.000 0.000 0.307 350 M C -1.707 174.495 176.300 -0.163 0.000 1.161 350 M CA -0.826 54.358 55.300 -0.192 0.000 0.903 350 M CB 1.549 34.045 32.600 -0.173 0.000 1.711 350 M HN 0.671 nan 8.290 nan 0.000 0.451 351 F N 3.367 123.187 119.950 -0.217 0.000 2.405 351 F HA 0.601 5.128 4.527 -0.000 0.000 0.355 351 F C -0.105 175.493 175.800 -0.336 0.000 1.121 351 F CA -1.381 56.326 58.000 -0.488 0.000 1.112 351 F CB -0.494 38.069 39.000 -0.729 0.000 1.126 351 F HN 0.386 nan 8.300 nan 0.000 0.481 352 V N 1.282 121.130 119.914 -0.110 0.000 3.061 352 V HA 0.176 4.296 4.120 -0.000 0.000 0.306 352 V C -2.073 174.122 176.094 0.167 0.000 1.118 352 V CA -1.625 60.681 62.300 0.010 0.000 1.231 352 V CB -0.344 31.480 31.823 0.002 0.000 0.956 352 V HN 0.771 nan 8.190 nan 0.000 0.499 353 P HA 0.078 nan 4.420 nan 0.000 0.260 353 P C -0.573 176.864 177.300 0.227 0.000 1.185 353 P CA 0.889 64.078 63.100 0.148 0.000 0.763 353 P CB -0.112 31.637 31.700 0.082 0.000 0.776 354 H N 2.241 121.413 119.070 0.170 0.000 3.037 354 H HA 0.473 5.029 4.556 -0.000 0.000 0.355 354 H C -1.252 174.218 175.328 0.237 0.000 1.263 354 H CA -0.970 55.187 56.048 0.181 0.000 1.129 354 H CB 0.952 30.814 29.762 0.167 0.000 1.861 354 H HN 0.470 nan 8.280 nan 0.000 0.546 355 Y N -0.032 120.313 120.300 0.075 0.000 2.633 355 Y HA 0.518 5.068 4.550 -0.000 0.000 0.339 355 Y C -0.921 175.048 175.900 0.114 0.000 1.045 355 Y CA -1.273 56.848 58.100 0.035 0.000 1.098 355 Y CB 1.396 39.890 38.460 0.057 0.000 1.296 355 Y HN 0.502 nan 8.280 nan 0.000 0.494 356 N N 2.007 120.825 118.700 0.196 0.000 2.444 356 N HA 0.195 4.935 4.740 -0.000 0.000 0.262 356 N C 0.032 175.639 175.510 0.161 0.000 0.974 356 N CA -0.311 52.786 53.050 0.079 0.000 0.933 356 N CB 2.095 40.624 38.487 0.070 0.000 1.137 356 N HN 0.696 nan 8.380 nan 0.000 0.498 357 L N 2.643 123.905 121.223 0.065 0.000 2.079 357 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 357 L C 1.286 178.229 176.870 0.123 0.000 1.081 357 L CA 1.596 56.540 54.840 0.174 0.000 0.752 357 L CB -0.321 41.790 42.059 0.087 0.000 0.896 357 L HN 0.649 nan 8.230 nan 0.000 0.433 358 N N -1.981 116.756 118.700 0.062 0.000 2.377 358 N HA 0.494 5.234 4.740 -0.000 0.000 0.259 358 N C -0.423 175.098 175.510 0.018 0.000 1.332 358 N CA 0.374 53.445 53.050 0.036 0.000 0.877 358 N CB 0.654 39.153 38.487 0.019 0.000 1.299 358 N HN 0.071 nan 8.380 nan 0.000 0.501 359 A N -0.242 122.590 122.820 0.020 0.000 2.609 359 A HA 0.662 4.982 4.320 -0.000 0.000 0.291 359 A C -1.532 176.047 177.584 -0.008 0.000 1.096 359 A CA -0.802 51.237 52.037 0.003 0.000 0.684 359 A CB 1.060 20.062 19.000 0.004 0.000 1.282 359 A HN 0.117 nan 8.150 nan 0.000 0.412 360 N N 0.438 119.123 118.700 -0.026 0.000 2.487 360 N HA 0.673 5.413 4.740 -0.000 0.000 0.292 360 N C -0.720 174.772 175.510 -0.030 0.000 1.108 360 N CA -0.093 52.924 53.050 -0.054 0.000 0.956 360 N CB 1.702 40.141 38.487 -0.081 0.000 1.176 360 N HN 0.530 nan 8.380 nan 0.000 0.484 361 S N 1.020 116.695 115.700 -0.042 0.000 2.503 361 S HA 0.585 5.055 4.470 -0.000 0.000 0.301 361 S C -0.252 174.336 174.600 -0.021 0.000 1.087 361 S CA -0.552 57.644 58.200 -0.006 0.000 1.042 361 S CB 1.066 64.264 63.200 -0.003 0.000 1.043 361 S HN 0.312 nan 8.310 nan 0.000 0.489 362 I N 2.713 123.317 120.570 0.057 0.000 2.405 362 I HA 0.363 4.533 4.170 -0.000 0.000 0.280 362 I C -0.686 175.505 176.117 0.122 0.000 1.027 362 I CA -0.011 61.323 61.300 0.057 0.000 1.161 362 I CB 0.794 38.870 38.000 0.126 0.000 1.300 362 I HN 0.553 nan 8.210 nan 0.000 0.463 363 I N 6.605 127.202 120.570 0.046 0.000 2.281 363 I HA 0.140 4.310 4.170 -0.000 0.000 0.293 363 I C -0.703 175.490 176.117 0.126 0.000 1.085 363 I CA -0.669 60.677 61.300 0.078 0.000 1.257 363 I CB 0.191 38.200 38.000 0.015 0.000 1.430 363 I HN 0.464 nan 8.210 nan 0.000 0.489 364 Y N 6.919 127.253 120.300 0.058 0.000 2.350 364 Y HA 0.585 5.135 4.550 -0.000 0.000 0.340 364 Y C 0.234 176.195 175.900 0.102 0.000 1.006 364 Y CA -0.821 57.325 58.100 0.078 0.000 1.166 364 Y CB 0.980 39.490 38.460 0.083 0.000 1.168 364 Y HN 0.607 nan 8.280 nan 0.000 0.502 365 A N 7.638 130.266 122.820 -0.320 0.000 2.309 365 A HA 0.328 4.648 4.320 -0.000 0.000 0.290 365 A C 0.277 177.697 177.584 -0.273 0.000 1.206 365 A CA -0.488 51.459 52.037 -0.150 0.000 0.850 365 A CB 0.124 19.195 19.000 0.119 0.000 1.118 365 A HN 1.103 nan 8.150 nan 0.000 0.523 366 L N 1.553 122.733 121.223 -0.071 0.000 2.102 366 L HA 0.071 4.411 4.340 -0.000 0.000 0.202 366 L C 0.943 177.852 176.870 0.065 0.000 1.076 366 L CA 0.816 55.724 54.840 0.113 0.000 0.761 366 L CB -0.125 42.045 42.059 0.186 0.000 0.921 366 L HN 0.804 nan 8.230 nan 0.000 0.444 367 N N -1.231 117.452 118.700 -0.028 0.000 2.242 367 N HA 0.505 5.245 4.740 -0.000 0.000 0.292 367 N C -0.214 175.331 175.510 0.058 0.000 1.125 367 N CA 0.582 53.648 53.050 0.028 0.000 0.783 367 N CB 1.841 40.354 38.487 0.044 0.000 1.558 367 N HN 0.252 nan 8.380 nan 0.000 0.472 368 G N 1.495 110.377 108.800 0.137 0.000 2.645 368 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.239 368 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.239 368 G C -0.866 174.234 174.900 0.333 0.000 1.331 368 G CA 0.079 45.312 45.100 0.222 0.000 0.890 368 G HN 0.843 nan 8.290 nan 0.000 0.572 369 R N -0.684 120.013 120.500 0.327 0.000 2.740 369 R HA 0.735 5.075 4.340 -0.000 0.000 0.273 369 R C -0.561 175.637 176.300 -0.169 0.000 0.998 369 R CA -0.036 56.154 56.100 0.150 0.000 0.900 369 R CB 1.614 31.951 30.300 0.061 0.000 1.223 369 R HN 2.120 nan 8.270 nan 0.000 0.466 370 A N 3.135 125.682 122.820 -0.455 0.000 2.549 370 A HA 0.426 4.746 4.320 -0.000 0.000 0.297 370 A C -1.802 175.545 177.584 -0.395 0.000 1.061 370 A CA -0.717 50.895 52.037 -0.708 0.000 0.690 370 A CB 1.721 19.756 19.000 -1.608 0.000 1.287 370 A HN 0.677 nan 8.150 nan 0.000 0.402 371 L N 3.583 124.610 121.223 -0.327 0.000 2.282 371 L HA 0.505 4.844 4.340 -0.000 0.000 0.287 371 L C -0.936 175.803 176.870 -0.218 0.000 1.075 371 L CA -0.388 54.320 54.840 -0.219 0.000 0.839 371 L CB -0.253 41.692 42.059 -0.189 0.000 1.219 371 L HN 0.612 nan 8.230 nan 0.000 0.434 372 I N 4.144 124.653 120.570 -0.102 0.000 2.566 372 I HA 0.321 4.491 4.170 -0.000 0.000 0.303 372 I C -0.221 175.943 176.117 0.078 0.000 0.983 372 I CA -0.547 60.748 61.300 -0.009 0.000 1.235 372 I CB 1.697 39.773 38.000 0.128 0.000 1.386 372 I HN 0.581 nan 8.210 nan 0.000 0.494 373 Q N 3.891 123.736 119.800 0.075 0.000 2.269 373 Q HA 0.469 4.809 4.340 -0.000 0.000 0.263 373 Q C -1.610 174.455 176.000 0.110 0.000 0.983 373 Q CA -0.364 55.483 55.803 0.073 0.000 0.777 373 Q CB 3.092 31.820 28.738 -0.016 0.000 1.273 373 Q HN 0.535 nan 8.270 nan 0.000 0.440 374 V N 3.414 123.424 119.914 0.161 0.000 2.604 374 V HA 0.821 4.941 4.120 -0.000 0.000 0.305 374 V C -1.433 174.696 176.094 0.059 0.000 1.043 374 V CA -0.428 61.946 62.300 0.123 0.000 0.888 374 V CB 1.865 33.794 31.823 0.177 0.000 0.995 374 V HN 0.522 nan 8.190 nan 0.000 0.429 375 V N 6.560 126.460 119.914 -0.024 0.000 2.864 375 V HA 0.732 4.852 4.120 -0.000 0.000 0.314 375 V C -0.193 175.697 176.094 -0.340 0.000 1.073 375 V CA -0.082 62.139 62.300 -0.132 0.000 0.956 375 V CB 2.152 33.921 31.823 -0.089 0.000 1.023 375 V HN 1.255 nan 8.190 nan 0.000 0.435 376 N N 3.280 121.682 118.700 -0.495 0.000 2.786 376 N HA 0.240 4.980 4.740 -0.000 0.000 0.315 376 N C 1.194 176.423 175.510 -0.468 0.000 1.359 376 N CA 0.547 53.075 53.050 -0.871 0.000 0.846 376 N CB -0.198 37.704 38.487 -0.975 0.000 1.117 376 N HN 0.806 nan 8.380 nan 0.000 0.541 377 C N -2.275 116.801 119.300 -0.372 0.000 2.464 377 C HA 0.228 4.688 4.460 -0.000 0.000 0.278 377 C C 1.006 175.915 174.990 -0.136 0.000 1.375 377 C CA -0.008 58.899 59.018 -0.185 0.000 1.761 377 C CB -1.794 25.886 27.740 -0.100 0.000 1.944 377 C HN 0.704 nan 8.230 nan 0.000 0.509 378 N N 1.220 119.837 118.700 -0.138 0.000 2.295 378 N HA 0.396 5.136 4.740 -0.000 0.000 0.221 378 N C 1.143 176.599 175.510 -0.089 0.000 1.129 378 N CA 0.520 53.515 53.050 -0.092 0.000 0.836 378 N CB 0.084 38.529 38.487 -0.071 0.000 1.040 378 N HN 0.694 nan 8.380 nan 0.000 0.494 379 G N 0.871 109.607 108.800 -0.107 0.000 2.203 379 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 379 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 379 G C -0.385 174.466 174.900 -0.082 0.000 1.012 379 G CA 0.045 45.094 45.100 -0.084 0.000 0.749 379 G HN 0.481 nan 8.290 nan 0.000 0.512 380 E N -0.534 119.602 120.200 -0.107 0.000 2.174 380 E HA 0.394 4.744 4.350 -0.000 0.000 0.282 380 E C 0.529 177.079 176.600 -0.084 0.000 0.992 380 E CA -0.835 55.515 56.400 -0.084 0.000 0.803 380 E CB 1.036 30.688 29.700 -0.080 0.000 1.090 380 E HN 0.284 nan 8.360 nan 0.000 0.396 381 R N 3.329 123.798 120.500 -0.052 0.000 2.612 381 R HA 0.025 4.365 4.340 -0.000 0.000 0.273 381 R C 0.861 177.161 176.300 0.000 0.000 1.376 381 R CA -0.121 55.960 56.100 -0.033 0.000 1.171 381 R CB -0.120 30.158 30.300 -0.038 0.000 1.151 381 R HN 0.496 nan 8.270 nan 0.000 0.560 382 V N 1.927 121.857 119.914 0.028 0.000 2.913 382 V HA 0.108 4.228 4.120 -0.000 0.000 0.260 382 V C 0.312 176.533 176.094 0.212 0.000 1.098 382 V CA 0.698 63.057 62.300 0.099 0.000 1.121 382 V CB -0.864 31.036 31.823 0.128 0.000 0.714 382 V HN 0.495 nan 8.190 nan 0.000 0.487 383 F N 0.932 120.886 119.950 0.007 0.000 2.605 383 F HA 0.637 5.164 4.527 -0.000 0.000 0.320 383 F C -1.555 174.234 175.800 -0.018 0.000 1.159 383 F CA -1.276 56.725 58.000 0.003 0.000 0.999 383 F CB 1.932 40.941 39.000 0.016 0.000 1.258 383 F HN 0.009 nan 8.300 nan 0.000 0.464 384 D N 4.267 124.326 120.400 -0.569 0.000 2.364 384 D HA 0.605 5.245 4.640 -0.000 0.000 0.251 384 D C -0.307 175.611 176.300 -0.637 0.000 1.282 384 D CA 0.282 54.011 54.000 -0.452 0.000 0.927 384 D CB 0.735 41.396 40.800 -0.232 0.000 1.267 384 D HN 0.890 nan 8.370 nan 0.000 0.531 385 G N 1.720 110.016 108.800 -0.839 0.000 2.604 385 G HA2 0.446 4.406 3.960 -0.000 0.000 0.242 385 G HA3 0.446 4.406 3.960 -0.000 0.000 0.242 385 G C -1.304 173.425 174.900 -0.285 0.000 1.208 385 G CA -0.720 44.021 45.100 -0.597 0.000 0.912 385 G HN 0.193 nan 8.290 nan 0.000 0.502 386 E N -0.625 119.520 120.200 -0.092 0.000 2.248 386 E HA 0.542 4.892 4.350 -0.000 0.000 0.267 386 E C -1.626 175.081 176.600 0.179 0.000 0.877 386 E CA -0.699 55.718 56.400 0.028 0.000 0.759 386 E CB 3.041 32.728 29.700 -0.021 0.000 1.182 386 E HN 0.306 nan 8.360 nan 0.000 0.418 387 L N 3.329 124.629 121.223 0.128 0.000 2.294 387 L HA 0.257 4.597 4.340 -0.000 0.000 0.283 387 L C -0.681 176.267 176.870 0.131 0.000 1.015 387 L CA -0.044 54.883 54.840 0.144 0.000 0.831 387 L CB 0.822 42.955 42.059 0.122 0.000 1.217 387 L HN 0.537 nan 8.230 nan 0.000 0.420 388 Q N 2.303 122.182 119.800 0.132 0.000 2.252 388 Q HA 0.534 4.874 4.340 -0.000 0.000 0.256 388 Q C -0.743 175.326 176.000 0.115 0.000 1.020 388 Q CA -0.927 54.960 55.803 0.139 0.000 0.913 388 Q CB 0.831 29.628 28.738 0.100 0.000 1.286 388 Q HN 0.531 nan 8.270 nan 0.000 0.480 389 E N 0.058 120.320 120.200 0.104 0.000 2.696 389 E HA 0.002 4.352 4.350 -0.000 0.000 0.270 389 E C 0.516 177.126 176.600 0.017 0.000 0.958 389 E CA 1.200 57.627 56.400 0.045 0.000 0.964 389 E CB -0.169 29.578 29.700 0.080 0.000 0.948 389 E HN 0.909 nan 8.360 nan 0.000 0.472 390 G N 2.353 111.097 108.800 -0.094 0.000 2.187 390 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.261 390 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.261 390 G C 0.213 175.196 174.900 0.137 0.000 1.000 390 G CA 0.830 45.954 45.100 0.041 0.000 0.718 390 G HN 0.465 nan 8.290 nan 0.000 0.519 391 R N -1.399 119.093 120.500 -0.014 0.000 2.832 391 R HA 0.792 5.132 4.340 -0.000 0.000 0.271 391 R C -0.661 175.685 176.300 0.077 0.000 0.996 391 R CA -0.403 55.796 56.100 0.164 0.000 0.977 391 R CB 2.315 32.695 30.300 0.132 0.000 1.168 391 R HN 0.420 nan 8.270 nan 0.000 0.482 392 V N 3.570 123.599 119.914 0.193 0.000 2.876 392 V HA 0.676 4.796 4.120 -0.000 0.000 0.312 392 V C -1.843 174.236 176.094 -0.025 0.000 1.085 392 V CA -0.846 61.499 62.300 0.075 0.000 0.945 392 V CB 1.968 33.822 31.823 0.052 0.000 1.017 392 V HN 0.643 nan 8.190 nan 0.000 0.428 393 L N 6.556 127.709 121.223 -0.117 0.000 2.406 393 L HA 0.671 5.011 4.340 -0.000 0.000 0.272 393 L C -1.013 175.711 176.870 -0.243 0.000 0.980 393 L CA -0.011 54.669 54.840 -0.266 0.000 0.831 393 L CB 1.671 43.492 42.059 -0.398 0.000 1.253 393 L HN 0.659 nan 8.230 nan 0.000 0.406 394 I N 5.666 126.055 120.570 -0.302 0.000 2.342 394 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 394 I C -0.642 175.337 176.117 -0.229 0.000 1.010 394 I CA -0.683 60.443 61.300 -0.290 0.000 1.308 394 I CB 1.555 39.307 38.000 -0.414 0.000 1.400 394 I HN 0.329 nan 8.210 nan 0.000 0.488 395 V N 8.768 128.574 119.914 -0.181 0.000 2.334 395 V HA 0.288 4.408 4.120 -0.000 0.000 0.281 395 V C -2.017 173.932 176.094 -0.242 0.000 1.016 395 V CA -1.672 60.545 62.300 -0.140 0.000 0.832 395 V CB 1.021 32.813 31.823 -0.052 0.000 0.999 395 V HN 0.574 nan 8.190 nan 0.000 0.439 396 P HA 0.010 nan 4.420 nan 0.000 0.282 396 P C 0.966 178.030 177.300 -0.394 0.000 1.273 396 P CA 0.076 62.802 63.100 -0.624 0.000 0.809 396 P CB 0.638 31.599 31.700 -1.231 0.000 1.246 397 Q N -0.109 119.520 119.800 -0.284 0.000 1.858 397 Q HA -0.116 4.224 4.340 -0.000 0.000 0.224 397 Q C 0.905 176.951 176.000 0.076 0.000 0.980 397 Q CA 1.685 57.449 55.803 -0.064 0.000 0.868 397 Q CB -0.469 28.253 28.738 -0.026 0.000 0.920 397 Q HN 0.370 nan 8.270 nan 0.000 0.427 398 N N -0.339 118.458 118.700 0.161 0.000 2.322 398 N HA 0.082 4.822 4.740 -0.000 0.000 0.216 398 N C -0.995 174.663 175.510 0.247 0.000 1.144 398 N CA -0.584 52.580 53.050 0.191 0.000 0.830 398 N CB 0.243 38.760 38.487 0.050 0.000 1.034 398 N HN 0.032 nan 8.380 nan 0.000 0.484 399 F N 1.115 121.062 119.950 -0.005 0.000 2.518 399 F HA 0.083 4.610 4.527 -0.000 0.000 0.359 399 F C 0.862 176.666 175.800 0.006 0.000 1.118 399 F CA -1.031 56.959 58.000 -0.016 0.000 1.287 399 F CB 0.337 39.328 39.000 -0.016 0.000 1.132 399 F HN -0.259 nan 8.300 nan 0.000 0.587 400 V N 4.272 124.259 119.914 0.122 0.000 2.509 400 V HA 0.495 4.615 4.120 -0.000 0.000 0.284 400 V C -0.215 175.897 176.094 0.030 0.000 1.047 400 V CA -0.653 61.689 62.300 0.070 0.000 0.952 400 V CB 1.330 33.173 31.823 0.033 0.000 0.988 400 V HN 0.503 nan 8.190 nan 0.000 0.469 401 V N 2.212 122.076 119.914 -0.083 0.000 2.656 401 V HA 0.989 5.109 4.120 -0.000 0.000 0.307 401 V C -0.081 176.056 176.094 0.072 0.000 1.051 401 V CA -0.727 61.554 62.300 -0.031 0.000 0.893 401 V CB 1.488 33.285 31.823 -0.042 0.000 0.999 401 V HN 1.082 nan 8.190 nan 0.000 0.426 402 A N 2.582 125.500 122.820 0.164 0.000 2.520 402 A HA 1.027 5.347 4.320 -0.000 0.000 0.298 402 A C -0.560 176.934 177.584 -0.149 0.000 1.051 402 A CA -0.124 51.989 52.037 0.127 0.000 0.690 402 A CB 1.916 20.929 19.000 0.021 0.000 1.281 402 A HN 2.043 nan 8.150 nan 0.000 0.402 403 A N 1.637 124.051 122.820 -0.675 0.000 2.475 403 A HA 0.865 5.185 4.320 -0.000 0.000 0.301 403 A C -0.516 176.667 177.584 -0.667 0.000 1.059 403 A CA -0.605 50.948 52.037 -0.806 0.000 0.710 403 A CB 1.401 19.636 19.000 -1.275 0.000 1.288 403 A HN 0.831 nan 8.150 nan 0.000 0.408 404 R N 1.049 121.276 120.500 -0.455 0.000 2.514 404 R HA 0.545 4.885 4.340 -0.000 0.000 0.301 404 R C -0.361 175.730 176.300 -0.349 0.000 0.962 404 R CA -0.221 55.677 56.100 -0.336 0.000 0.882 404 R CB 1.760 31.924 30.300 -0.227 0.000 1.143 404 R HN 0.787 nan 8.270 nan 0.000 0.452 405 S N 2.017 117.564 115.700 -0.256 0.000 2.545 405 S HA 0.093 4.563 4.470 -0.000 0.000 0.275 405 S C 0.325 174.847 174.600 -0.131 0.000 1.299 405 S CA -0.126 57.954 58.200 -0.200 0.000 1.048 405 S CB 1.089 64.282 63.200 -0.012 0.000 0.938 405 S HN 0.694 nan 8.310 nan 0.000 0.496 406 Q N 2.086 121.817 119.800 -0.115 0.000 2.159 406 Q HA 0.324 4.664 4.340 -0.000 0.000 0.217 406 Q C -0.637 175.362 176.000 -0.002 0.000 0.818 406 Q CA -0.177 55.587 55.803 -0.065 0.000 1.008 406 Q CB 1.011 29.699 28.738 -0.084 0.000 1.148 406 Q HN 0.568 nan 8.270 nan 0.000 0.491 407 S N -0.232 115.496 115.700 0.045 0.000 2.627 407 S HA 0.263 4.733 4.470 -0.000 0.000 0.283 407 S C -1.290 173.358 174.600 0.080 0.000 1.127 407 S CA -0.791 57.456 58.200 0.079 0.000 0.863 407 S CB 1.863 65.145 63.200 0.136 0.000 1.121 407 S HN 0.086 nan 8.310 nan 0.000 0.479 408 D N 2.227 122.668 120.400 0.067 0.000 2.456 408 D HA 0.266 4.906 4.640 -0.000 0.000 0.219 408 D C -1.002 175.342 176.300 0.074 0.000 1.126 408 D CA 0.057 54.094 54.000 0.063 0.000 0.890 408 D CB -0.129 40.699 40.800 0.046 0.000 1.025 408 D HN 0.485 nan 8.370 nan 0.000 0.511 409 N N 2.288 121.042 118.700 0.090 0.000 2.372 409 N HA -0.240 4.500 4.740 -0.000 0.000 0.282 409 N C -0.894 174.683 175.510 0.111 0.000 1.425 409 N CA 0.158 53.264 53.050 0.093 0.000 0.663 409 N CB -1.301 37.225 38.487 0.064 0.000 0.903 409 N HN 0.403 nan 8.380 nan 0.000 0.495 410 F N 2.465 122.433 119.950 0.030 0.000 2.444 410 F HA 0.349 4.876 4.527 -0.000 0.000 0.360 410 F C 0.518 176.342 175.800 0.041 0.000 1.106 410 F CA -0.325 57.702 58.000 0.045 0.000 1.170 410 F CB 0.536 39.562 39.000 0.045 0.000 1.113 410 F HN 0.246 nan 8.300 nan 0.000 0.521 411 E N 6.427 126.236 120.200 -0.652 0.000 2.199 411 E HA 0.336 4.686 4.350 -0.000 0.000 0.269 411 E C -1.515 174.627 176.600 -0.764 0.000 0.899 411 E CA -0.854 55.142 56.400 -0.672 0.000 0.772 411 E CB 2.041 31.594 29.700 -0.246 0.000 1.155 411 E HN 0.660 nan 8.360 nan 0.000 0.408 412 Y N -1.219 118.655 120.300 -0.709 0.000 2.605 412 Y HA 0.738 5.288 4.550 -0.000 0.000 0.343 412 Y C -1.205 174.527 175.900 -0.280 0.000 1.036 412 Y CA -1.273 56.580 58.100 -0.412 0.000 1.065 412 Y CB 0.797 39.103 38.460 -0.256 0.000 1.288 412 Y HN 0.166 nan 8.280 nan 0.000 0.481 413 V N 1.610 121.482 119.914 -0.071 0.000 2.555 413 V HA 0.564 4.684 4.120 -0.000 0.000 0.302 413 V C -0.657 175.337 176.094 -0.166 0.000 1.038 413 V CA -0.706 61.384 62.300 -0.351 0.000 0.887 413 V CB 1.623 32.963 31.823 -0.806 0.000 0.991 413 V HN 0.830 nan 8.190 nan 0.000 0.434 414 S N 4.175 119.757 115.700 -0.196 0.000 2.622 414 S HA 0.576 5.046 4.470 -0.000 0.000 0.283 414 S C -0.887 173.620 174.600 -0.154 0.000 1.197 414 S CA -0.467 57.696 58.200 -0.062 0.000 1.146 414 S CB -0.113 63.150 63.200 0.106 0.000 1.007 414 S HN 0.403 nan 8.310 nan 0.000 0.478 415 F N 4.761 124.718 119.950 0.013 0.000 2.462 415 F HA 0.353 4.880 4.527 -0.000 0.000 0.360 415 F C 1.201 176.991 175.800 -0.016 0.000 1.134 415 F CA -0.390 57.606 58.000 -0.007 0.000 1.148 415 F CB 0.534 39.523 39.000 -0.019 0.000 1.147 415 F HN 0.204 nan 8.300 nan 0.000 0.550 416 K N 1.432 121.913 120.400 0.135 0.000 2.144 416 K HA 0.306 4.626 4.320 -0.000 0.000 0.270 416 K C 0.343 176.978 176.600 0.059 0.000 1.005 416 K CA -0.401 55.926 56.287 0.066 0.000 0.932 416 K CB 1.197 33.714 32.500 0.028 0.000 1.021 416 K HN 0.532 nan 8.250 nan 0.000 0.462 417 T N -0.147 114.422 114.554 0.025 0.000 3.471 417 T HA 0.254 4.604 4.350 -0.000 0.000 0.355 417 T C -0.163 174.535 174.700 -0.002 0.000 1.775 417 T CA -0.792 61.313 62.100 0.009 0.000 1.305 417 T CB -0.531 68.332 68.868 -0.007 0.000 1.171 417 T HN 0.488 nan 8.240 nan 0.000 0.776 418 N N 1.927 120.626 118.700 -0.002 0.000 2.827 418 N HA 0.021 4.761 4.740 -0.000 0.000 0.248 418 N C -0.105 175.395 175.510 -0.017 0.000 1.074 418 N CA -0.378 52.665 53.050 -0.013 0.000 1.042 418 N CB 1.935 40.415 38.487 -0.012 0.000 1.684 418 N HN 0.517 nan 8.380 nan 0.000 0.542 419 D N 0.789 121.172 120.400 -0.029 0.000 2.378 419 D HA -0.072 4.568 4.640 -0.000 0.000 0.222 419 D C -0.354 175.923 176.300 -0.039 0.000 0.980 419 D CA 0.787 54.763 54.000 -0.041 0.000 0.907 419 D CB 0.034 40.802 40.800 -0.054 0.000 0.899 419 D HN 0.502 nan 8.370 nan 0.000 0.527 420 T N -0.765 113.771 114.554 -0.031 0.000 3.201 420 T HA 0.401 4.751 4.350 -0.000 0.000 0.338 420 T C -3.059 171.624 174.700 -0.029 0.000 1.095 420 T CA -1.462 60.620 62.100 -0.031 0.000 1.426 420 T CB 1.579 70.430 68.868 -0.030 0.000 0.956 420 T HN -0.154 nan 8.240 nan 0.000 0.551 421 P HA 0.582 nan 4.420 nan 0.000 0.282 421 P C -0.633 176.638 177.300 -0.047 0.000 1.249 421 P CA -0.694 62.388 63.100 -0.032 0.000 0.806 421 P CB 0.763 32.446 31.700 -0.028 0.000 0.984 422 M N 3.036 122.608 119.600 -0.047 0.000 2.311 422 M HA 0.507 4.987 4.480 -0.000 0.000 0.325 422 M C -0.054 176.182 176.300 -0.106 0.000 1.061 422 M CA -0.795 54.463 55.300 -0.070 0.000 0.957 422 M CB 1.548 34.115 32.600 -0.054 0.000 1.646 422 M HN 0.249 nan 8.290 nan 0.000 0.434 423 I N -0.489 119.999 120.570 -0.135 0.000 2.441 423 I HA 0.835 5.005 4.170 -0.000 0.000 0.295 423 I C 0.164 176.132 176.117 -0.248 0.000 0.994 423 I CA -0.719 60.478 61.300 -0.172 0.000 1.144 423 I CB 1.743 39.699 38.000 -0.074 0.000 1.314 423 I HN 0.707 nan 8.210 nan 0.000 0.445 424 G N 3.818 112.286 108.800 -0.553 0.000 2.327 424 G HA2 0.438 4.398 3.960 -0.000 0.000 0.302 424 G HA3 0.438 4.398 3.960 -0.000 0.000 0.302 424 G C -0.293 174.529 174.900 -0.129 0.000 1.113 424 G CA -0.284 44.528 45.100 -0.480 0.000 0.921 424 G HN 0.662 nan 8.290 nan 0.000 0.425 425 T N 2.818 117.394 114.554 0.037 0.000 2.817 425 T HA 0.142 4.492 4.350 -0.000 0.000 0.293 425 T C 1.059 175.854 174.700 0.159 0.000 0.964 425 T CA -0.218 61.975 62.100 0.155 0.000 1.085 425 T CB 1.216 70.175 68.868 0.152 0.000 0.921 425 T HN 0.174 nan 8.240 nan 0.000 0.502 426 L N 3.074 124.407 121.223 0.183 0.000 2.585 426 L HA 0.496 4.836 4.340 -0.000 0.000 0.226 426 L C 0.898 177.826 176.870 0.096 0.000 1.113 426 L CA 0.425 55.358 54.840 0.154 0.000 0.876 426 L CB -0.429 41.728 42.059 0.163 0.000 1.072 426 L HN 0.742 nan 8.230 nan 0.000 0.468 427 A N -1.929 120.945 122.820 0.090 0.000 2.517 427 A HA 0.771 5.091 4.320 -0.000 0.000 0.297 427 A C -0.106 177.523 177.584 0.075 0.000 1.050 427 A CA 0.053 52.125 52.037 0.059 0.000 0.694 427 A CB 1.161 20.182 19.000 0.035 0.000 1.277 427 A HN 0.274 nan 8.150 nan 0.000 0.400 428 G N -0.703 108.138 108.800 0.069 0.000 2.354 428 G HA2 0.503 4.463 3.960 -0.000 0.000 0.582 428 G HA3 0.503 4.463 3.960 -0.000 0.000 0.582 428 G C 0.746 175.686 174.900 0.067 0.000 1.316 428 G CA 0.328 45.482 45.100 0.089 0.000 0.995 428 G HN 2.096 nan 8.290 nan 0.000 0.573 429 A N -0.121 122.737 122.820 0.065 0.000 2.032 429 A HA -0.039 4.281 4.320 -0.000 0.000 0.221 429 A C 1.716 179.321 177.584 0.036 0.000 1.165 429 A CA 2.569 54.626 52.037 0.032 0.000 0.645 429 A CB -0.472 18.545 19.000 0.028 0.000 0.807 429 A HN 1.798 nan 8.150 nan 0.000 0.453 430 N N -0.689 118.044 118.700 0.054 0.000 2.299 430 N HA 0.051 4.791 4.740 -0.000 0.000 0.246 430 N C 0.070 175.615 175.510 0.059 0.000 1.254 430 N CA 0.485 53.565 53.050 0.049 0.000 0.879 430 N CB -0.618 37.897 38.487 0.047 0.000 1.214 430 N HN 0.336 nan 8.380 nan 0.000 0.510 431 S N 0.023 115.764 115.700 0.068 0.000 2.580 431 S HA 0.105 4.575 4.470 -0.000 0.000 0.266 431 S C 1.348 175.999 174.600 0.085 0.000 1.354 431 S CA -0.511 57.738 58.200 0.082 0.000 1.008 431 S CB 0.742 63.991 63.200 0.081 0.000 0.898 431 S HN 0.022 nan 8.310 nan 0.000 0.555 432 L N 0.861 122.150 121.223 0.109 0.000 2.083 432 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 432 L C 2.330 179.274 176.870 0.122 0.000 1.083 432 L CA 1.434 56.347 54.840 0.121 0.000 0.752 432 L CB -1.047 41.114 42.059 0.170 0.000 0.899 432 L HN 0.737 nan 8.230 nan 0.000 0.433 433 L N -1.179 120.122 121.223 0.131 0.000 2.141 433 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 433 L C 2.214 179.145 176.870 0.102 0.000 1.094 433 L CA 0.970 55.897 54.840 0.144 0.000 0.763 433 L CB -0.763 41.370 42.059 0.122 0.000 0.908 433 L HN 0.414 nan 8.230 nan 0.000 0.437 434 N N 0.656 119.401 118.700 0.075 0.000 2.309 434 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 434 N C 1.498 177.040 175.510 0.052 0.000 1.018 434 N CA 1.269 54.352 53.050 0.054 0.000 0.876 434 N CB 0.282 38.795 38.487 0.044 0.000 0.972 434 N HN 0.306 nan 8.380 nan 0.000 0.434 435 A N 0.213 123.069 122.820 0.061 0.000 2.308 435 A HA 0.259 4.579 4.320 -0.000 0.000 0.217 435 A C 0.791 178.409 177.584 0.056 0.000 1.216 435 A CA -0.275 51.794 52.037 0.053 0.000 0.864 435 A CB 0.172 19.203 19.000 0.051 0.000 0.902 435 A HN 0.105 nan 8.150 nan 0.000 0.499 436 L N 0.867 122.132 121.223 0.070 0.000 2.395 436 L HA 0.274 4.614 4.340 -0.000 0.000 0.269 436 L C -2.302 174.604 176.870 0.060 0.000 1.133 436 L CA -2.116 52.765 54.840 0.069 0.000 0.812 436 L CB 0.897 43.011 42.059 0.093 0.000 1.125 436 L HN 0.018 nan 8.230 nan 0.000 0.452 437 P HA -0.066 nan 4.420 nan 0.000 0.262 437 P C 0.379 177.714 177.300 0.058 0.000 1.182 437 P CA 0.297 63.426 63.100 0.048 0.000 0.761 437 P CB 0.533 32.259 31.700 0.044 0.000 0.795 438 E N 2.476 122.706 120.200 0.050 0.000 2.097 438 E HA -0.300 4.050 4.350 -0.000 0.000 0.196 438 E C 1.555 178.183 176.600 0.048 0.000 1.000 438 E CA 1.387 57.815 56.400 0.048 0.000 0.804 438 E CB 0.059 29.779 29.700 0.033 0.000 0.740 438 E HN 0.548 nan 8.360 nan 0.000 0.454 439 E N -0.325 119.911 120.200 0.060 0.000 2.106 439 E HA -0.160 4.189 4.350 -0.000 0.000 0.192 439 E C 2.130 178.825 176.600 0.158 0.000 0.984 439 E CA 1.349 57.804 56.400 0.093 0.000 0.806 439 E CB 0.131 29.904 29.700 0.123 0.000 0.750 439 E HN 0.308 nan 8.360 nan 0.000 0.458 440 V N -1.168 118.820 119.914 0.124 0.000 2.809 440 V HA -0.103 4.017 4.120 -0.000 0.000 0.256 440 V C 1.984 178.106 176.094 0.047 0.000 1.080 440 V CA 1.029 63.397 62.300 0.112 0.000 1.102 440 V CB -0.449 31.403 31.823 0.048 0.000 0.705 440 V HN 0.212 nan 8.190 nan 0.000 0.475 441 I N 0.280 120.891 120.570 0.070 0.000 2.439 441 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 441 I C 2.884 179.080 176.117 0.132 0.000 1.139 441 I CA 1.618 63.010 61.300 0.153 0.000 1.438 441 I CB -0.333 37.792 38.000 0.207 0.000 1.085 441 I HN 0.350 nan 8.210 nan 0.000 0.427 442 Q N 0.019 119.813 119.800 -0.010 0.000 2.046 442 Q HA -0.218 4.121 4.340 -0.000 0.000 0.200 442 Q C 2.008 177.867 176.000 -0.235 0.000 0.975 442 Q CA 1.704 57.417 55.803 -0.150 0.000 0.836 442 Q CB -0.230 28.307 28.738 -0.335 0.000 0.896 442 Q HN 0.628 nan 8.270 nan 0.000 0.428 443 H N -0.823 118.237 119.070 -0.016 0.000 2.502 443 H HA -0.027 4.529 4.556 -0.000 0.000 0.283 443 H C 2.295 177.553 175.328 -0.117 0.000 1.015 443 H CA 1.524 57.542 56.048 -0.049 0.000 1.298 443 H CB 0.195 29.930 29.762 -0.045 0.000 1.411 443 H HN 0.358 nan 8.280 nan 0.000 0.556 444 T N -2.141 112.316 114.554 -0.162 0.000 2.976 444 T HA -0.059 4.291 4.350 -0.000 0.000 0.257 444 T C 1.137 175.568 174.700 -0.448 0.000 1.051 444 T CA 0.531 62.401 62.100 -0.383 0.000 1.141 444 T CB -0.141 68.334 68.868 -0.655 0.000 0.881 444 T HN 0.146 nan 8.240 nan 0.000 0.461 445 F N 1.499 121.450 119.950 0.002 0.000 2.664 445 F HA 0.471 4.998 4.527 -0.000 0.000 0.303 445 F C 1.035 176.823 175.800 -0.020 0.000 1.092 445 F CA -1.285 56.710 58.000 -0.009 0.000 1.305 445 F CB -1.025 37.968 39.000 -0.012 0.000 1.054 445 F HN 0.141 nan 8.300 nan 0.000 0.565 446 N N 0.633 119.383 118.700 0.083 0.000 2.741 446 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 446 N C -0.368 175.158 175.510 0.027 0.000 1.115 446 N CA 0.283 53.356 53.050 0.038 0.000 0.724 446 N CB -1.068 37.447 38.487 0.046 0.000 1.090 446 N HN 0.231 nan 8.380 nan 0.000 0.558 447 L N -0.545 120.698 121.223 0.034 0.000 2.488 447 L HA 0.411 4.751 4.340 -0.000 0.000 0.249 447 L C 1.029 177.878 176.870 -0.035 0.000 1.151 447 L CA -0.554 54.294 54.840 0.013 0.000 0.806 447 L CB 0.579 42.662 42.059 0.039 0.000 1.261 447 L HN 0.028 nan 8.230 nan 0.000 0.484 448 K N -0.740 119.645 120.400 -0.026 0.000 2.211 448 K HA 0.248 4.568 4.320 -0.000 0.000 0.237 448 K C 0.771 177.355 176.600 -0.028 0.000 1.002 448 K CA -0.542 55.724 56.287 -0.034 0.000 0.885 448 K CB 1.660 34.148 32.500 -0.019 0.000 1.136 448 K HN 0.497 nan 8.250 nan 0.000 0.448 449 S N 0.527 116.211 115.700 -0.025 0.000 2.380 449 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 449 S C 1.845 176.441 174.600 -0.007 0.000 1.043 449 S CA 1.807 59.999 58.200 -0.013 0.000 1.038 449 S CB -0.079 63.117 63.200 -0.007 0.000 0.872 449 S HN 0.617 nan 8.310 nan 0.000 0.456 450 Q N 0.330 120.125 119.800 -0.008 0.000 2.050 450 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 450 Q C 2.198 178.193 176.000 -0.009 0.000 0.980 450 Q CA 1.868 57.666 55.803 -0.007 0.000 0.840 450 Q CB -0.377 28.357 28.738 -0.008 0.000 0.898 450 Q HN 0.763 nan 8.270 nan 0.000 0.424 451 Q N -0.567 119.227 119.800 -0.010 0.000 2.167 451 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 451 Q C 1.859 177.853 176.000 -0.011 0.000 0.970 451 Q CA 1.148 56.943 55.803 -0.013 0.000 0.855 451 Q CB -0.055 28.675 28.738 -0.013 0.000 0.911 451 Q HN 0.404 nan 8.270 nan 0.000 0.438 452 A N 0.865 123.686 122.820 0.001 0.000 2.119 452 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 452 A C 1.859 179.450 177.584 0.011 0.000 1.152 452 A CA 0.398 52.446 52.037 0.017 0.000 0.708 452 A CB -0.030 18.986 19.000 0.028 0.000 0.805 452 A HN 0.113 nan 8.150 nan 0.000 0.460 453 R N -0.479 120.022 120.500 0.001 0.000 2.153 453 R HA -0.040 4.300 4.340 -0.000 0.000 0.218 453 R C 1.988 178.283 176.300 -0.008 0.000 1.072 453 R CA 1.168 57.267 56.100 -0.001 0.000 0.990 453 R CB -0.199 30.099 30.300 -0.004 0.000 0.889 453 R HN 0.685 nan 8.270 nan 0.000 0.452 454 Q N 0.280 120.072 119.800 -0.013 0.000 2.096 454 Q HA 0.032 4.372 4.340 -0.000 0.000 0.197 454 Q C 2.157 178.142 176.000 -0.026 0.000 0.964 454 Q CA 0.829 56.620 55.803 -0.020 0.000 0.838 454 Q CB 0.076 28.800 28.738 -0.023 0.000 0.906 454 Q HN 0.266 nan 8.270 nan 0.000 0.444 455 I N 0.849 121.398 120.570 -0.035 0.000 2.454 455 I HA -0.278 3.892 4.170 -0.000 0.000 0.254 455 I C 2.126 178.229 176.117 -0.024 0.000 1.156 455 I CA 1.143 62.413 61.300 -0.050 0.000 1.433 455 I CB -0.035 37.911 38.000 -0.090 0.000 1.082 455 I HN 0.142 nan 8.210 nan 0.000 0.432 456 K N 0.248 120.643 120.400 -0.008 0.000 2.137 456 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 456 K C 1.127 177.722 176.600 -0.008 0.000 1.052 456 K CA 0.887 57.176 56.287 0.003 0.000 0.961 456 K CB 0.147 32.653 32.500 0.011 0.000 0.741 456 K HN 0.288 nan 8.250 nan 0.000 0.452 457 N N 0.030 118.719 118.700 -0.017 0.000 2.171 457 N HA 0.031 4.771 4.740 -0.000 0.000 0.212 457 N C 0.608 176.095 175.510 -0.039 0.000 1.184 457 N CA 0.148 53.180 53.050 -0.030 0.000 0.888 457 N CB 0.455 38.925 38.487 -0.027 0.000 1.038 457 N HN 0.052 nan 8.380 nan 0.000 0.517 458 N N 0.921 119.605 118.700 -0.028 0.000 2.270 458 N HA -0.053 4.687 4.740 -0.000 0.000 0.181 458 N C 0.150 175.649 175.510 -0.018 0.000 1.016 458 N CA 0.795 53.831 53.050 -0.023 0.000 0.870 458 N CB -0.003 38.475 38.487 -0.015 0.000 0.979 458 N HN 0.152 nan 8.380 nan 0.000 0.431 459 N N 0.668 119.362 118.700 -0.010 0.000 2.501 459 N HA 0.177 4.917 4.740 -0.000 0.000 0.245 459 N C -2.267 173.205 175.510 -0.064 0.000 0.974 459 N CA -1.641 51.423 53.050 0.023 0.000 0.941 459 N CB 1.549 40.082 38.487 0.077 0.000 1.122 459 N HN 0.049 nan 8.380 nan 0.000 0.507 460 P HA 0.151 nan 4.420 nan 0.000 0.255 460 P C -0.476 176.583 177.300 -0.401 0.000 1.248 460 P CA 0.048 62.913 63.100 -0.391 0.000 0.807 460 P CB 0.003 31.385 31.700 -0.531 0.000 1.150 461 F N 0.747 120.704 119.950 0.011 0.000 2.399 461 F HA 0.480 5.007 4.527 -0.000 0.000 0.328 461 F C 1.137 176.961 175.800 0.042 0.000 1.084 461 F CA -0.930 57.082 58.000 0.020 0.000 1.053 461 F CB 0.920 39.927 39.000 0.011 0.000 1.209 461 F HN -0.391 nan 8.300 nan 0.000 0.502 462 K N 2.826 123.392 120.400 0.278 0.000 2.240 462 K HA 0.269 4.589 4.320 -0.000 0.000 0.271 462 K C 0.343 177.112 176.600 0.282 0.000 1.018 462 K CA -0.578 55.837 56.287 0.214 0.000 0.874 462 K CB 0.261 32.856 32.500 0.158 0.000 1.098 462 K HN 0.592 nan 8.250 nan 0.000 0.458 463 F N 2.125 122.115 119.950 0.067 0.000 2.563 463 F HA -0.425 4.102 4.527 -0.000 0.000 0.696 463 F C -0.306 175.547 175.800 0.088 0.000 0.486 463 F CA 1.645 59.671 58.000 0.043 0.000 0.701 463 F CB -0.915 38.077 39.000 -0.014 0.000 1.595 463 F HN 0.454 nan 8.300 nan 0.000 0.265 464 L N 1.429 122.729 121.223 0.128 0.000 2.319 464 L HA 0.467 4.807 4.340 -0.000 0.000 0.280 464 L C 0.192 177.018 176.870 -0.072 0.000 1.099 464 L CA -0.187 54.650 54.840 -0.004 0.000 0.828 464 L CB 0.562 42.653 42.059 0.053 0.000 1.150 464 L HN 0.177 nan 8.230 nan 0.000 0.442 465 V N 6.747 126.594 119.914 -0.110 0.000 2.435 465 V HA 0.571 4.691 4.120 -0.000 0.000 0.290 465 V C -2.114 173.847 176.094 -0.222 0.000 1.030 465 V CA -2.016 60.192 62.300 -0.153 0.000 0.881 465 V CB 2.112 33.914 31.823 -0.036 0.000 0.983 465 V HN 0.644 nan 8.190 nan 0.000 0.445 466 P HA 0.227 nan 4.420 nan 0.000 0.271 466 P C -2.679 174.534 177.300 -0.146 0.000 1.238 466 P CA -0.738 62.198 63.100 -0.274 0.000 0.794 466 P CB -0.267 31.220 31.700 -0.355 0.000 0.959 467 P HA -0.032 nan 4.420 nan 0.000 0.266 467 P C 0.718 177.985 177.300 -0.056 0.000 1.193 467 P CA 0.330 63.386 63.100 -0.073 0.000 0.770 467 P CB 0.273 31.939 31.700 -0.057 0.000 0.836 468 Q N 1.408 121.181 119.800 -0.046 0.000 2.226 468 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 468 Q C -0.364 175.624 176.000 -0.020 0.000 0.975 468 Q CA 0.892 56.677 55.803 -0.030 0.000 0.866 468 Q CB -0.294 28.425 28.738 -0.032 0.000 0.915 468 Q HN 0.444 nan 8.270 nan 0.000 0.440 469 E N -0.125 120.062 120.200 -0.023 0.000 2.689 469 E HA -0.143 4.207 4.350 -0.000 0.000 0.165 469 E C -1.178 175.415 176.600 -0.012 0.000 1.609 469 E CA 0.337 56.727 56.400 -0.016 0.000 0.674 469 E CB -1.019 28.675 29.700 -0.009 0.000 1.103 469 E HN 0.180 nan 8.360 nan 0.000 0.373 470 S N 0.000 115.691 115.700 -0.015 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 470 S CA 0.000 58.192 58.200 -0.013 0.000 1.107 470 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517