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_B 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 0.000 176.188 176.117 0.118 0.000 1.063 14 I CA 0.000 61.369 61.300 0.115 0.000 1.566 14 I CB 0.000 38.055 38.000 0.092 0.000 1.214 15 Q N 4.498 124.345 119.800 0.077 0.000 2.083 15 Q HA 0.175 4.514 4.340 -0.000 0.000 0.198 15 Q C -0.107 175.938 176.000 0.075 0.000 0.969 15 Q CA 0.908 56.749 55.803 0.064 0.000 0.838 15 Q CB 0.481 29.248 28.738 0.049 0.000 0.900 15 Q HN 0.577 nan 8.270 nan 0.000 0.436 16 K N -0.079 120.372 120.400 0.085 0.000 2.568 16 K HA 0.498 4.818 4.320 -0.000 0.000 0.273 16 K C -1.620 175.039 176.600 0.098 0.000 0.951 16 K CA -0.509 55.843 56.287 0.108 0.000 0.854 16 K CB 2.232 34.794 32.500 0.104 0.000 1.424 16 K HN -0.019 nan 8.250 nan 0.000 0.427 17 L N 1.678 122.978 121.223 0.128 0.000 2.313 17 L HA 0.599 4.939 4.340 -0.000 0.000 0.268 17 L C -0.770 176.148 176.870 0.080 0.000 1.010 17 L CA -0.997 53.852 54.840 0.014 0.000 0.814 17 L CB 1.640 43.632 42.059 -0.112 0.000 1.304 17 L HN 0.789 nan 8.230 nan 0.000 0.441 18 N N -0.276 118.365 118.700 -0.099 0.000 2.745 18 N HA 0.460 5.200 4.740 -0.000 0.000 0.256 18 N C -1.127 174.334 175.510 -0.081 0.000 1.268 18 N CA -0.734 52.339 53.050 0.038 0.000 0.887 18 N CB 1.396 39.984 38.487 0.168 0.000 1.575 18 N HN 0.607 nan 8.380 nan 0.000 0.496 19 A N 1.127 123.997 122.820 0.084 0.000 2.476 19 A HA 0.430 4.750 4.320 -0.000 0.000 0.275 19 A C -0.300 177.394 177.584 0.184 0.000 1.133 19 A CA -0.171 51.934 52.037 0.113 0.000 0.797 19 A CB -0.717 18.440 19.000 0.261 0.000 1.081 19 A HN 0.575 nan 8.150 nan 0.000 0.510 20 L N 3.535 124.895 121.223 0.228 0.000 2.295 20 L HA 0.458 4.798 4.340 -0.000 0.000 0.285 20 L C 0.462 177.710 176.870 0.630 0.000 1.035 20 L CA -0.646 54.423 54.840 0.382 0.000 0.806 20 L CB 1.505 43.833 42.059 0.449 0.000 1.214 20 L HN 0.860 nan 8.230 nan 0.000 0.426 21 K N 2.917 123.557 120.400 0.400 0.000 2.166 21 K HA 0.713 5.033 4.320 -0.000 0.000 0.245 21 K C -2.728 173.753 176.600 -0.199 0.000 0.967 21 K CA -1.879 54.541 56.287 0.221 0.000 0.863 21 K CB 1.173 33.743 32.500 0.117 0.000 1.107 21 K HN 0.189 nan 8.250 nan 0.000 0.436 22 P HA 0.026 nan 4.420 nan 0.000 0.276 22 P C -0.694 176.431 177.300 -0.292 0.000 1.252 22 P CA -0.161 62.452 63.100 -0.812 0.000 0.802 22 P CB 0.835 31.818 31.700 -1.195 0.000 1.035 23 D N -0.522 119.781 120.400 -0.160 0.000 2.423 23 D HA 0.018 4.658 4.640 -0.000 0.000 0.212 23 D C -0.214 176.075 176.300 -0.019 0.000 1.060 23 D CA 0.256 54.240 54.000 -0.027 0.000 0.872 23 D CB 0.014 40.862 40.800 0.079 0.000 1.012 23 D HN 0.204 nan 8.370 nan 0.000 0.503 24 N N 0.429 119.117 118.700 -0.020 0.000 2.284 24 N HA 0.357 5.097 4.740 -0.000 0.000 0.300 24 N C -1.549 173.919 175.510 -0.070 0.000 1.047 24 N CA -0.622 52.404 53.050 -0.040 0.000 0.821 24 N CB 2.051 40.527 38.487 -0.019 0.000 1.337 24 N HN 0.018 nan 8.380 nan 0.000 0.482 25 R N 3.693 124.149 120.500 -0.075 0.000 2.584 25 R HA 0.545 4.885 4.340 -0.000 0.000 0.276 25 R C -1.560 174.702 176.300 -0.063 0.000 1.046 25 R CA -0.532 55.527 56.100 -0.068 0.000 0.906 25 R CB 0.987 31.249 30.300 -0.063 0.000 1.215 25 R HN 0.567 nan 8.270 nan 0.000 0.449 26 I N 3.129 123.665 120.570 -0.058 0.000 2.439 26 I HA 0.233 4.403 4.170 -0.000 0.000 0.285 26 I C -0.729 175.361 176.117 -0.044 0.000 1.021 26 I CA -0.831 60.434 61.300 -0.058 0.000 1.091 26 I CB 2.200 40.157 38.000 -0.071 0.000 1.242 26 I HN 0.580 nan 8.210 nan 0.000 0.439 27 E N 4.138 124.314 120.200 -0.040 0.000 2.105 27 E HA 0.229 4.579 4.350 -0.000 0.000 0.285 27 E C -0.452 176.127 176.600 -0.036 0.000 1.055 27 E CA 0.115 56.497 56.400 -0.030 0.000 0.843 27 E CB 1.121 30.807 29.700 -0.024 0.000 1.067 27 E HN 0.387 nan 8.360 nan 0.000 0.398 28 S N 2.322 118.001 115.700 -0.034 0.000 2.617 28 S HA 0.078 4.548 4.470 -0.000 0.000 0.283 28 S C 1.189 175.773 174.600 -0.027 0.000 1.189 28 S CA -0.628 57.546 58.200 -0.042 0.000 1.036 28 S CB 1.110 64.280 63.200 -0.050 0.000 1.014 28 S HN 0.746 nan 8.310 nan 0.000 0.522 29 E N 2.789 122.971 120.200 -0.030 0.000 2.095 29 E HA -0.219 4.131 4.350 -0.000 0.000 0.212 29 E C 0.939 177.537 176.600 -0.003 0.000 1.044 29 E CA 1.680 58.069 56.400 -0.017 0.000 0.857 29 E CB -0.479 29.209 29.700 -0.020 0.000 0.764 29 E HN 0.752 nan 8.360 nan 0.000 0.462 30 G N -0.323 108.479 108.800 0.004 0.000 4.486 30 G HA2 0.510 4.470 3.960 -0.000 0.000 0.306 30 G HA3 0.510 4.470 3.960 -0.000 0.000 0.306 30 G C -0.119 174.795 174.900 0.023 0.000 1.331 30 G CA 0.247 45.359 45.100 0.019 0.000 1.113 30 G HN 0.582 nan 8.290 nan 0.000 0.594 31 G N -0.602 108.207 108.800 0.015 0.000 2.339 31 G HA2 0.433 4.393 3.960 -0.000 0.000 0.275 31 G HA3 0.433 4.393 3.960 -0.000 0.000 0.275 31 G C -2.153 172.755 174.900 0.012 0.000 1.323 31 G CA -0.337 44.776 45.100 0.022 0.000 0.927 31 G HN 0.944 nan 8.290 nan 0.000 0.486 32 L N -0.739 120.496 121.223 0.019 0.000 2.469 32 L HA 0.925 5.264 4.340 -0.000 0.000 0.256 32 L C -1.355 175.523 176.870 0.013 0.000 1.006 32 L CA -0.815 54.030 54.840 0.009 0.000 0.832 32 L CB 2.102 44.168 42.059 0.012 0.000 1.421 32 L HN 0.698 nan 8.230 nan 0.000 0.410 33 I N 2.091 122.657 120.570 -0.006 0.000 2.534 33 I HA 0.441 4.611 4.170 -0.000 0.000 0.288 33 I C -1.007 175.094 176.117 -0.028 0.000 1.077 33 I CA -0.471 60.825 61.300 -0.007 0.000 1.051 33 I CB 2.106 40.092 38.000 -0.025 0.000 1.234 33 I HN 0.589 nan 8.210 nan 0.000 0.425 34 E N 3.751 123.945 120.200 -0.010 0.000 2.195 34 E HA 0.656 5.006 4.350 -0.000 0.000 0.271 34 E C -0.883 175.721 176.600 0.007 0.000 0.923 34 E CA -0.780 55.591 56.400 -0.048 0.000 0.790 34 E CB 2.405 32.050 29.700 -0.092 0.000 1.155 34 E HN 0.625 nan 8.360 nan 0.000 0.402 35 T N -1.213 113.345 114.554 0.006 0.000 2.991 35 T HA 0.305 4.654 4.350 -0.000 0.000 0.303 35 T C -0.826 173.971 174.700 0.162 0.000 1.015 35 T CA -0.886 61.317 62.100 0.171 0.000 1.007 35 T CB 0.505 69.517 68.868 0.240 0.000 1.034 35 T HN 0.369 nan 8.240 nan 0.000 0.446 36 W N 3.083 124.373 121.300 -0.017 0.000 2.238 36 W HA 0.223 4.883 4.660 -0.000 0.000 0.321 36 W C 0.968 177.275 176.519 -0.352 0.000 1.293 36 W CA -0.472 56.808 57.345 -0.109 0.000 1.204 36 W CB 0.736 30.092 29.460 -0.173 0.000 1.167 36 W HN 0.739 nan 8.180 nan 0.000 0.553 37 N N 6.000 124.664 118.700 -0.060 0.000 2.418 37 N HA -0.063 4.677 4.740 -0.000 0.000 0.277 37 N C -1.279 173.996 175.510 -0.391 0.000 1.317 37 N CA -0.431 52.420 53.050 -0.331 0.000 0.922 37 N CB 0.917 39.449 38.487 0.075 0.000 1.194 37 N HN 0.120 nan 8.380 nan 0.000 0.485 38 P HA -0.001 nan 4.420 nan 0.000 0.242 38 P C -0.178 177.052 177.300 -0.117 0.000 1.197 38 P CA 0.571 63.433 63.100 -0.398 0.000 0.765 38 P CB 0.339 31.759 31.700 -0.467 0.000 0.936 39 N N -0.116 118.543 118.700 -0.068 0.000 2.273 39 N HA 0.094 4.834 4.740 -0.000 0.000 0.231 39 N C 0.300 175.856 175.510 0.077 0.000 1.134 39 N CA -0.117 52.947 53.050 0.024 0.000 0.856 39 N CB -0.149 38.361 38.487 0.038 0.000 1.068 39 N HN 0.241 nan 8.380 nan 0.000 0.510 40 N N 0.904 119.684 118.700 0.133 0.000 2.482 40 N HA 0.004 4.744 4.740 -0.000 0.000 0.260 40 N C 1.259 176.831 175.510 0.103 0.000 1.236 40 N CA 0.056 53.196 53.050 0.149 0.000 0.938 40 N CB 1.626 40.258 38.487 0.241 0.000 1.128 40 N HN 0.062 nan 8.380 nan 0.000 0.448 41 K N 2.229 122.664 120.400 0.059 0.000 2.026 41 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 41 K C -0.977 175.612 176.600 -0.018 0.000 1.048 41 K CA 1.266 57.568 56.287 0.025 0.000 0.929 41 K CB -0.678 31.833 32.500 0.019 0.000 0.713 41 K HN 0.337 nan 8.250 nan 0.000 0.439 42 P HA -0.184 nan 4.420 nan 0.000 0.216 42 P C 0.728 177.862 177.300 -0.277 0.000 1.154 42 P CA 1.375 64.348 63.100 -0.212 0.000 0.865 42 P CB -0.005 31.520 31.700 -0.292 0.000 0.789 43 F N -0.732 119.183 119.950 -0.059 0.000 2.293 43 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 43 F C 2.394 178.147 175.800 -0.078 0.000 1.089 43 F CA 1.090 59.045 58.000 -0.075 0.000 1.377 43 F CB -0.794 38.164 39.000 -0.070 0.000 1.051 43 F HN -0.094 nan 8.300 nan 0.000 0.511 44 Q N -1.151 118.709 119.800 0.099 0.000 2.167 44 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 44 Q C 2.556 178.555 176.000 -0.002 0.000 0.970 44 Q CA 1.486 57.312 55.803 0.038 0.000 0.855 44 Q CB -1.236 27.517 28.738 0.025 0.000 0.911 44 Q HN 0.485 nan 8.270 nan 0.000 0.438 45 C N 0.499 119.776 119.300 -0.038 0.000 2.476 45 C HA 0.066 4.526 4.460 -0.000 0.000 0.278 45 C C 2.888 177.825 174.990 -0.089 0.000 1.274 45 C CA 0.966 59.939 59.018 -0.076 0.000 1.713 45 C CB -0.934 26.730 27.740 -0.125 0.000 2.039 45 C HN 0.583 nan 8.230 nan 0.000 0.484 46 A N -0.766 121.990 122.820 -0.107 0.000 1.969 46 A HA 0.278 4.598 4.320 -0.000 0.000 0.218 46 A C 1.914 179.479 177.584 -0.031 0.000 1.169 46 A CA 1.846 53.827 52.037 -0.093 0.000 0.635 46 A CB -1.155 17.766 19.000 -0.132 0.000 0.810 46 A HN 1.682 nan 8.150 nan 0.000 0.445 47 G N -1.426 107.376 108.800 0.005 0.000 2.182 47 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.248 47 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.248 47 G C 0.154 175.055 174.900 0.003 0.000 1.042 47 G CA 0.684 45.786 45.100 0.002 0.000 0.775 47 G HN 1.770 nan 8.290 nan 0.000 0.501 48 V N -3.809 116.143 119.914 0.062 0.000 3.102 48 V HA 1.011 5.131 4.120 -0.000 0.000 0.312 48 V C 0.112 176.168 176.094 -0.063 0.000 1.135 48 V CA -0.885 61.420 62.300 0.008 0.000 1.022 48 V CB 2.023 33.862 31.823 0.028 0.000 1.056 48 V HN 1.815 nan 8.190 nan 0.000 0.436 49 A N 2.632 125.325 122.820 -0.212 0.000 2.319 49 A HA 0.840 5.160 4.320 -0.000 0.000 0.310 49 A C -0.871 176.560 177.584 -0.254 0.000 1.152 49 A CA -0.583 51.231 52.037 -0.372 0.000 0.783 49 A CB 1.019 19.737 19.000 -0.471 0.000 1.184 49 A HN 0.931 nan 8.150 nan 0.000 0.474 50 L N 2.299 123.322 121.223 -0.333 0.000 2.295 50 L HA 0.619 4.959 4.340 -0.000 0.000 0.285 50 L C 0.459 177.434 176.870 0.175 0.000 1.035 50 L CA -0.347 54.409 54.840 -0.139 0.000 0.806 50 L CB 1.883 43.766 42.059 -0.294 0.000 1.214 50 L HN 0.768 nan 8.230 nan 0.000 0.426 51 S N 4.805 120.608 115.700 0.172 0.000 2.521 51 S HA 0.537 5.007 4.470 -0.000 0.000 0.295 51 S C -0.790 173.928 174.600 0.196 0.000 1.098 51 S CA -0.858 57.480 58.200 0.231 0.000 0.999 51 S CB 1.803 65.094 63.200 0.152 0.000 1.034 51 S HN 0.694 nan 8.310 nan 0.000 0.483 52 R N 3.813 124.468 120.500 0.258 0.000 2.310 52 R HA 0.523 4.863 4.340 -0.000 0.000 0.316 52 R C -0.929 175.442 176.300 0.119 0.000 1.004 52 R CA -0.482 55.730 56.100 0.188 0.000 0.900 52 R CB -0.156 30.330 30.300 0.309 0.000 1.152 52 R HN 0.823 nan 8.270 nan 0.000 0.513 53 C N 1.345 120.702 119.300 0.095 0.000 2.500 53 C HA 0.625 5.085 4.460 -0.000 0.000 0.367 53 C C 0.591 175.631 174.990 0.083 0.000 1.283 53 C CA -0.328 58.740 59.018 0.084 0.000 2.456 53 C CB 1.309 29.111 27.740 0.104 0.000 2.457 53 C HN 0.766 nan 8.230 nan 0.000 0.632 54 T N 1.611 116.210 114.554 0.075 0.000 3.172 54 T HA 0.495 4.845 4.350 -0.000 0.000 0.320 54 T C -1.435 173.307 174.700 0.069 0.000 1.085 54 T CA -0.507 61.639 62.100 0.075 0.000 1.052 54 T CB 0.258 69.169 68.868 0.073 0.000 1.107 54 T HN 0.553 nan 8.240 nan 0.000 0.458 55 L N 4.965 126.235 121.223 0.079 0.000 2.272 55 L HA 0.559 4.899 4.340 -0.000 0.000 0.289 55 L C 0.568 177.464 176.870 0.043 0.000 1.032 55 L CA -1.007 53.875 54.840 0.069 0.000 0.810 55 L CB 1.108 43.225 42.059 0.097 0.000 1.205 55 L HN 0.644 nan 8.230 nan 0.000 0.422 56 N N 1.656 120.373 118.700 0.028 0.000 2.366 56 N HA 0.305 5.045 4.740 -0.000 0.000 0.277 56 N C 0.035 175.537 175.510 -0.013 0.000 1.275 56 N CA -0.768 52.290 53.050 0.013 0.000 0.964 56 N CB 0.613 39.110 38.487 0.017 0.000 1.167 56 N HN 0.488 nan 8.380 nan 0.000 0.568 57 R N 0.620 121.109 120.500 -0.019 0.000 2.698 57 R HA -0.096 4.244 4.340 -0.000 0.000 0.266 57 R C -0.291 175.989 176.300 -0.033 0.000 1.026 57 R CA 0.576 56.649 56.100 -0.045 0.000 1.102 57 R CB -0.138 30.150 30.300 -0.019 0.000 0.978 57 R HN 0.735 nan 8.270 nan 0.000 0.436 58 N N -0.314 118.338 118.700 -0.079 0.000 2.778 58 N HA -0.267 4.473 4.740 -0.000 0.000 0.249 58 N C -1.172 174.437 175.510 0.165 0.000 1.069 58 N CA 0.849 53.943 53.050 0.072 0.000 0.831 58 N CB -0.665 37.908 38.487 0.144 0.000 1.142 58 N HN 0.697 nan 8.380 nan 0.000 0.573 59 A N 0.292 123.109 122.820 -0.005 0.000 2.354 59 A HA 0.625 4.945 4.320 -0.000 0.000 0.269 59 A C 0.064 177.794 177.584 0.243 0.000 1.109 59 A CA -0.197 51.902 52.037 0.103 0.000 0.800 59 A CB 0.668 19.700 19.000 0.054 0.000 1.045 59 A HN 0.258 nan 8.150 nan 0.000 0.489 60 L N 2.028 123.425 121.223 0.290 0.000 2.346 60 L HA 0.543 4.883 4.340 -0.000 0.000 0.276 60 L C 0.198 177.200 176.870 0.219 0.000 1.006 60 L CA -0.673 54.379 54.840 0.352 0.000 0.817 60 L CB 1.537 43.742 42.059 0.244 0.000 1.272 60 L HN 0.868 nan 8.230 nan 0.000 0.421 61 R N 4.371 125.024 120.500 0.255 0.000 2.255 61 R HA 0.402 4.742 4.340 -0.000 0.000 0.326 61 R C -0.543 175.836 176.300 0.133 0.000 0.986 61 R CA -0.636 55.551 56.100 0.146 0.000 0.847 61 R CB 0.921 31.302 30.300 0.135 0.000 1.111 61 R HN 0.639 nan 8.270 nan 0.000 0.452 62 R N 4.336 124.874 120.500 0.062 0.000 2.594 62 R HA 0.138 4.478 4.340 -0.000 0.000 0.272 62 R C -2.168 174.192 176.300 0.101 0.000 1.074 62 R CA -1.562 54.580 56.100 0.069 0.000 1.105 62 R CB 0.140 30.440 30.300 -0.000 0.000 1.008 62 R HN 0.429 nan 8.270 nan 0.000 0.472 63 P HA -0.103 nan 4.420 nan 0.000 0.261 63 P C -0.703 176.644 177.300 0.077 0.000 1.173 63 P CA 0.801 63.966 63.100 0.109 0.000 0.760 63 P CB 0.640 32.455 31.700 0.191 0.000 0.783 64 S N 2.645 118.271 115.700 -0.124 0.000 2.671 64 S HA 0.882 5.352 4.470 -0.000 0.000 0.277 64 S C -1.380 173.197 174.600 -0.039 0.000 1.165 64 S CA -0.752 57.331 58.200 -0.194 0.000 0.822 64 S CB 1.685 64.594 63.200 -0.485 0.000 1.150 64 S HN 0.479 nan 8.310 nan 0.000 0.479 65 Y N -2.021 118.269 120.300 -0.017 0.000 2.641 65 Y HA 0.799 5.349 4.550 -0.000 0.000 0.333 65 Y C -0.829 175.127 175.900 0.093 0.000 1.174 65 Y CA -0.657 57.492 58.100 0.081 0.000 1.057 65 Y CB 0.837 39.314 38.460 0.027 0.000 1.322 65 Y HN 1.063 nan 8.280 nan 0.000 0.457 66 T N -1.412 113.304 114.554 0.269 0.000 2.887 66 T HA 0.334 4.684 4.350 -0.000 0.000 0.292 66 T C -0.422 174.331 174.700 0.088 0.000 1.087 66 T CA -1.015 61.186 62.100 0.169 0.000 1.009 66 T CB 1.474 70.443 68.868 0.168 0.000 1.203 66 T HN 0.874 nan 8.240 nan 0.000 0.518 67 N N 0.276 119.002 118.700 0.043 0.000 2.683 67 N HA 0.339 5.079 4.740 -0.000 0.000 0.256 67 N C 0.339 175.858 175.510 0.014 0.000 1.270 67 N CA -0.355 52.700 53.050 0.008 0.000 0.954 67 N CB -0.206 38.304 38.487 0.037 0.000 1.289 67 N HN 1.071 nan 8.380 nan 0.000 0.508 68 G N 0.064 108.877 108.800 0.022 0.000 2.489 68 G HA2 0.357 4.317 3.960 -0.000 0.000 0.291 68 G HA3 0.357 4.317 3.960 -0.000 0.000 0.291 68 G C -3.584 171.323 174.900 0.012 0.000 1.487 68 G CA -0.942 44.162 45.100 0.005 0.000 0.795 68 G HN -0.019 nan 8.290 nan 0.000 0.513 69 P HA 0.344 nan 4.420 nan 0.000 0.287 69 P C -0.577 176.698 177.300 -0.042 0.000 1.294 69 P CA -0.154 62.943 63.100 -0.007 0.000 0.776 69 P CB 1.450 33.147 31.700 -0.004 0.000 0.889 70 Q N 2.012 121.775 119.800 -0.061 0.000 2.297 70 Q HA 0.456 4.796 4.340 -0.000 0.000 0.268 70 Q C -1.001 174.903 176.000 -0.161 0.000 1.045 70 Q CA -0.752 54.983 55.803 -0.113 0.000 0.861 70 Q CB 1.645 30.325 28.738 -0.097 0.000 1.344 70 Q HN 0.350 nan 8.270 nan 0.000 0.452 71 E N 3.246 123.334 120.200 -0.186 0.000 2.343 71 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 71 E C -1.606 174.899 176.600 -0.159 0.000 0.908 71 E CA -0.367 55.948 56.400 -0.142 0.000 0.814 71 E CB 0.884 30.550 29.700 -0.057 0.000 1.302 71 E HN 0.550 nan 8.360 nan 0.000 0.408 72 I N 4.148 124.594 120.570 -0.206 0.000 2.353 72 I HA 0.274 4.444 4.170 -0.000 0.000 0.293 72 I C -0.694 175.400 176.117 -0.038 0.000 0.992 72 I CA -0.866 60.310 61.300 -0.207 0.000 1.268 72 I CB 0.822 38.545 38.000 -0.462 0.000 1.387 72 I HN 0.473 nan 8.210 nan 0.000 0.478 73 Y N 7.186 127.481 120.300 -0.007 0.000 2.328 73 Y HA 0.640 5.190 4.550 -0.000 0.000 0.337 73 Y C -0.655 175.222 175.900 -0.038 0.000 0.966 73 Y CA -0.978 57.141 58.100 0.033 0.000 1.136 73 Y CB 1.028 39.595 38.460 0.179 0.000 1.170 73 Y HN 0.438 nan 8.280 nan 0.000 0.470 74 I N 6.614 126.784 120.570 -0.666 0.000 2.363 74 I HA 0.092 4.262 4.170 -0.000 0.000 0.292 74 I C 1.276 176.955 176.117 -0.730 0.000 1.075 74 I CA 0.419 61.397 61.300 -0.536 0.000 1.333 74 I CB 1.302 39.092 38.000 -0.352 0.000 1.415 74 I HN 0.808 nan 8.210 nan 0.000 0.502 75 Q N 6.272 125.914 119.800 -0.264 0.000 1.990 75 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 75 Q C 0.261 176.247 176.000 -0.023 0.000 0.980 75 Q CA 1.332 57.143 55.803 0.013 0.000 0.832 75 Q CB 0.324 29.212 28.738 0.250 0.000 0.897 75 Q HN 0.786 nan 8.270 nan 0.000 0.427 76 Q N -1.925 117.882 119.800 0.013 0.000 2.416 76 Q HA 0.604 4.944 4.340 -0.000 0.000 0.281 76 Q C -0.741 175.296 176.000 0.060 0.000 1.067 76 Q CA -0.607 55.212 55.803 0.026 0.000 0.809 76 Q CB 2.229 30.997 28.738 0.050 0.000 1.418 76 Q HN 0.320 nan 8.270 nan 0.000 0.411 77 G N 1.077 109.904 108.800 0.045 0.000 2.525 77 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.685 77 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.685 77 G C -1.621 173.292 174.900 0.023 0.000 1.290 77 G CA -0.676 44.453 45.100 0.048 0.000 0.915 77 G HN 0.639 nan 8.290 nan 0.000 0.548 78 K N -0.476 119.874 120.400 -0.084 0.000 2.375 78 K HA 0.830 5.150 4.320 -0.000 0.000 0.249 78 K C 0.339 176.623 176.600 -0.526 0.000 0.942 78 K CA -0.223 55.894 56.287 -0.284 0.000 0.806 78 K CB 2.299 34.680 32.500 -0.198 0.000 1.227 78 K HN 1.625 nan 8.250 nan 0.000 0.430 79 G N 0.925 109.054 108.800 -1.118 0.000 2.427 79 G HA2 0.505 4.465 3.960 -0.000 0.000 0.306 79 G HA3 0.505 4.465 3.960 -0.000 0.000 0.306 79 G C -1.739 172.640 174.900 -0.867 0.000 1.280 79 G CA -0.810 43.709 45.100 -0.969 0.000 0.837 79 G HN 0.650 nan 8.290 nan 0.000 0.482 80 I N -2.205 118.286 120.570 -0.132 0.000 3.042 80 I HA 0.973 5.143 4.170 -0.000 0.000 0.310 80 I C -1.175 175.213 176.117 0.451 0.000 1.117 80 I CA -1.460 59.950 61.300 0.182 0.000 1.003 80 I CB 2.527 40.594 38.000 0.113 0.000 1.228 80 I HN 0.807 nan 8.210 nan 0.000 0.443 81 F N 0.970 120.958 119.950 0.064 0.000 2.631 81 F HA 0.938 5.465 4.527 0.000 0.000 0.308 81 F C -0.599 174.890 175.800 -0.517 0.000 1.097 81 F CA -0.864 56.984 58.000 -0.254 0.000 0.952 81 F CB 1.258 40.284 39.000 0.043 0.000 1.307 81 F HN 0.699 nan 8.300 nan 0.000 0.450 82 G N 2.895 111.015 108.800 -1.134 0.000 2.448 82 G HA2 0.637 4.597 3.960 -0.000 0.000 0.324 82 G HA3 0.637 4.597 3.960 -0.000 0.000 0.324 82 G C -1.477 173.345 174.900 -0.130 0.000 1.203 82 G CA -1.104 43.539 45.100 -0.763 0.000 0.954 82 G HN 0.575 nan 8.290 nan 0.000 0.480 83 M N 2.666 122.348 119.600 0.138 0.000 2.085 83 M HA 0.320 4.800 4.480 -0.000 0.000 0.309 83 M C -0.527 175.943 176.300 0.284 0.000 0.947 83 M CA -0.433 55.045 55.300 0.298 0.000 0.918 83 M CB 1.466 34.256 32.600 0.316 0.000 1.504 83 M HN 0.352 nan 8.290 nan 0.000 0.420 84 I N 3.545 124.289 120.570 0.289 0.000 2.227 84 I HA 0.117 4.287 4.170 -0.000 0.000 0.297 84 I C -0.362 175.867 176.117 0.187 0.000 1.173 84 I CA -0.423 61.024 61.300 0.244 0.000 1.356 84 I CB -0.586 37.553 38.000 0.232 0.000 1.485 84 I HN 0.465 nan 8.210 nan 0.000 0.604 85 Y N 7.886 128.251 120.300 0.108 0.000 2.402 85 Y HA 0.176 4.726 4.550 -0.000 0.000 0.333 85 Y C -1.463 174.470 175.900 0.055 0.000 1.076 85 Y CA -1.461 56.678 58.100 0.066 0.000 1.299 85 Y CB 0.864 39.350 38.460 0.044 0.000 1.197 85 Y HN 0.358 nan 8.280 nan 0.000 0.517 86 P HA -0.276 nan 4.420 nan 0.000 0.212 86 P C 1.297 178.682 177.300 0.141 0.000 1.128 86 P CA 3.039 66.092 63.100 -0.078 0.000 0.961 86 P CB -0.004 31.537 31.700 -0.265 0.000 0.782 87 G N -1.956 107.035 108.800 0.318 0.000 2.471 87 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.219 87 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.219 87 G C 0.373 175.396 174.900 0.205 0.000 1.125 87 G CA 0.143 45.394 45.100 0.251 0.000 0.775 87 G HN 0.334 nan 8.290 nan 0.000 0.548 88 c N 1.654 120.417 118.600 0.273 0.000 2.676 88 c HA 0.339 4.909 4.570 -0.000 0.000 0.416 88 c C -1.629 172.529 174.090 0.112 0.000 1.299 88 c CA -1.251 55.169 56.329 0.152 0.000 2.048 88 c CB 0.999 43.610 42.510 0.168 0.000 2.713 88 c HN 0.287 nan 8.230 nan 0.000 0.624 89 P HA 0.253 nan 4.420 nan 0.000 0.284 89 P C -0.821 176.512 177.300 0.055 0.000 1.253 89 P CA -0.111 63.022 63.100 0.054 0.000 0.800 89 P CB 0.569 32.288 31.700 0.033 0.000 0.961 90 S N 1.830 117.558 115.700 0.047 0.000 2.489 90 S HA 0.442 4.912 4.470 -0.000 0.000 0.277 90 S C 0.077 174.671 174.600 -0.012 0.000 1.230 90 S CA 0.050 58.273 58.200 0.038 0.000 1.053 90 S CB -0.355 62.870 63.200 0.042 0.000 0.955 90 S HN 0.836 nan 8.310 nan 0.000 0.488 111 H N -1.477 117.611 119.070 0.031 0.000 2.895 111 H HA 0.238 4.794 4.556 -0.000 0.000 0.254 111 H C -1.262 174.101 175.328 0.059 0.000 1.361 111 H CA -0.777 55.304 56.048 0.056 0.000 1.396 111 H CB -0.081 29.722 29.762 0.067 0.000 1.848 111 H HN -0.154 nan 8.280 nan 0.000 0.468 112 Q N 0.905 120.886 119.800 0.301 0.000 2.492 112 Q HA 0.129 4.469 4.340 -0.000 0.000 0.238 112 Q C 0.040 176.161 176.000 0.202 0.000 1.045 112 Q CA -0.535 55.393 55.803 0.209 0.000 0.934 112 Q CB 0.730 29.580 28.738 0.187 0.000 1.276 112 Q HN 0.448 nan 8.270 nan 0.000 0.521 113 K N 1.942 122.369 120.400 0.045 0.000 2.472 113 K HA 0.017 4.337 4.320 -0.000 0.000 0.280 113 K C -0.591 175.765 176.600 -0.407 0.000 1.028 113 K CA 0.295 56.489 56.287 -0.155 0.000 1.045 113 K CB 0.115 32.471 32.500 -0.240 0.000 0.902 113 K HN 0.416 nan 8.250 nan 0.000 0.478 114 I N 4.479 124.800 120.570 -0.415 0.000 2.566 114 I HA 0.209 4.379 4.170 -0.000 0.000 0.303 114 I C -0.499 175.106 176.117 -0.854 0.000 0.983 114 I CA -0.892 60.093 61.300 -0.524 0.000 1.235 114 I CB 0.776 38.651 38.000 -0.209 0.000 1.386 114 I HN 0.470 nan 8.210 nan 0.000 0.494 115 Y N 2.184 122.160 120.300 -0.540 0.000 2.485 115 Y HA 0.379 4.929 4.550 -0.000 0.000 0.345 115 Y C -0.358 175.332 175.900 -0.351 0.000 0.998 115 Y CA -0.897 56.910 58.100 -0.488 0.000 1.059 115 Y CB 1.311 39.362 38.460 -0.682 0.000 1.234 115 Y HN 0.477 nan 8.280 nan 0.000 0.461 116 N N 2.214 120.966 118.700 0.086 0.000 2.473 116 N HA 0.545 5.285 4.740 -0.000 0.000 0.291 116 N C -1.427 174.276 175.510 0.322 0.000 1.083 116 N CA -0.722 52.401 53.050 0.122 0.000 0.951 116 N CB 1.224 39.722 38.487 0.019 0.000 1.164 116 N HN 0.468 nan 8.380 nan 0.000 0.480 117 F N -1.142 118.946 119.950 0.231 0.000 2.538 117 F HA 0.816 5.343 4.527 -0.000 0.000 0.325 117 F C -0.601 175.220 175.800 0.035 0.000 1.066 117 F CA -1.275 56.808 58.000 0.138 0.000 0.946 117 F CB 1.282 40.341 39.000 0.099 0.000 1.199 117 F HN 0.323 nan 8.300 nan 0.000 0.473 118 R N 0.159 120.746 120.500 0.145 0.000 2.837 118 R HA 0.414 4.754 4.340 -0.000 0.000 0.271 118 R C -1.185 175.151 176.300 0.059 0.000 0.993 118 R CA -1.078 55.040 56.100 0.030 0.000 0.931 118 R CB 0.650 30.926 30.300 -0.040 0.000 1.206 118 R HN 0.824 nan 8.270 nan 0.000 0.474 119 E N 0.714 120.917 120.200 0.005 0.000 2.459 119 E HA 0.219 4.569 4.350 -0.000 0.000 0.264 119 E C 0.261 176.754 176.600 -0.178 0.000 1.055 119 E CA 0.262 56.608 56.400 -0.090 0.000 0.957 119 E CB 0.101 29.757 29.700 -0.074 0.000 0.952 119 E HN 0.879 nan 8.360 nan 0.000 0.448 120 G N 1.833 110.434 108.800 -0.331 0.000 2.179 120 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 120 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 120 G C -0.344 174.398 174.900 -0.263 0.000 0.977 120 G CA 0.262 45.170 45.100 -0.320 0.000 0.641 120 G HN 0.661 nan 8.290 nan 0.000 0.533 121 D N -0.498 119.720 120.400 -0.304 0.000 2.312 121 D HA 0.645 5.285 4.640 -0.000 0.000 0.248 121 D C 0.055 176.249 176.300 -0.176 0.000 1.086 121 D CA -0.151 53.733 54.000 -0.192 0.000 0.948 121 D CB 1.707 42.438 40.800 -0.116 0.000 1.162 121 D HN 0.218 nan 8.370 nan 0.000 0.446 122 L N 1.922 123.120 121.223 -0.041 0.000 2.406 122 L HA 0.466 4.806 4.340 -0.000 0.000 0.272 122 L C -1.216 175.671 176.870 0.029 0.000 0.980 122 L CA -0.329 54.564 54.840 0.088 0.000 0.831 122 L CB 1.127 43.347 42.059 0.269 0.000 1.253 122 L HN 0.292 nan 8.230 nan 0.000 0.406 123 I N 4.329 124.836 120.570 -0.105 0.000 2.412 123 I HA 0.691 4.861 4.170 -0.000 0.000 0.296 123 I C 0.026 176.059 176.117 -0.140 0.000 0.987 123 I CA -0.691 60.478 61.300 -0.218 0.000 1.180 123 I CB 1.945 39.526 38.000 -0.698 0.000 1.340 123 I HN 0.735 nan 8.210 nan 0.000 0.455 124 A N 6.269 129.056 122.820 -0.056 0.000 2.287 124 A HA 0.696 5.016 4.320 -0.000 0.000 0.317 124 A C -0.685 176.785 177.584 -0.189 0.000 1.220 124 A CA -0.445 51.502 52.037 -0.149 0.000 0.835 124 A CB 0.981 19.830 19.000 -0.253 0.000 1.180 124 A HN 0.461 nan 8.150 nan 0.000 0.500 125 V N 5.674 125.463 119.914 -0.208 0.000 2.284 125 V HA 0.257 4.377 4.120 -0.000 0.000 0.274 125 V C -2.343 173.721 176.094 -0.050 0.000 1.023 125 V CA -1.604 60.598 62.300 -0.162 0.000 0.808 125 V CB 1.055 32.675 31.823 -0.338 0.000 1.035 125 V HN 0.767 nan 8.190 nan 0.000 0.445 126 P HA -0.011 nan 4.420 nan 0.000 0.266 126 P C 0.361 177.722 177.300 0.102 0.000 1.186 126 P CA 0.379 63.545 63.100 0.109 0.000 0.767 126 P CB 0.225 32.032 31.700 0.178 0.000 0.820 127 T N 2.695 117.312 114.554 0.106 0.000 2.831 127 T HA 0.272 4.622 4.350 -0.000 0.000 0.291 127 T C 1.477 176.197 174.700 0.033 0.000 0.981 127 T CA 1.525 63.663 62.100 0.064 0.000 1.174 127 T CB -0.516 68.380 68.868 0.047 0.000 0.929 127 T HN 0.818 nan 8.240 nan 0.000 0.532 128 G N 2.801 111.620 108.800 0.030 0.000 2.317 128 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.227 128 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.227 128 G C 0.344 175.207 174.900 -0.062 0.000 1.042 128 G CA -0.181 44.885 45.100 -0.056 0.000 0.623 128 G HN 0.805 nan 8.290 nan 0.000 0.509 129 V N 2.663 122.580 119.914 0.004 0.000 2.584 129 V HA 0.361 4.481 4.120 -0.000 0.000 0.303 129 V C 1.238 177.481 176.094 0.248 0.000 1.035 129 V CA 0.642 62.974 62.300 0.054 0.000 1.172 129 V CB 0.624 32.520 31.823 0.122 0.000 0.896 129 V HN 1.298 nan 8.190 nan 0.000 0.486 130 A N 7.811 130.755 122.820 0.208 0.000 2.340 130 A HA 0.746 5.066 4.320 -0.000 0.000 0.268 130 A C -0.308 177.516 177.584 0.400 0.000 1.100 130 A CA -0.500 51.730 52.037 0.320 0.000 0.803 130 A CB 0.601 19.755 19.000 0.257 0.000 1.043 130 A HN 1.105 nan 8.150 nan 0.000 0.488 131 W N 1.858 123.296 121.300 0.230 0.000 3.372 131 W HA 0.614 5.274 4.660 -0.000 0.000 0.315 131 W C -1.439 175.242 176.519 0.270 0.000 1.223 131 W CA -1.511 55.952 57.345 0.196 0.000 1.202 131 W CB 0.193 29.737 29.460 0.140 0.000 1.367 131 W HN 0.904 nan 8.180 nan 0.000 0.531 132 W N 3.285 124.719 121.300 0.224 0.000 2.736 132 W HA 0.848 5.508 4.660 -0.000 0.000 0.355 132 W C -1.686 175.060 176.519 0.377 0.000 1.102 132 W CA -1.995 55.424 57.345 0.123 0.000 1.164 132 W CB 1.584 31.105 29.460 0.102 0.000 1.422 132 W HN 0.447 nan 8.180 nan 0.000 0.572 133 M N 3.408 123.341 119.600 0.556 0.000 2.224 133 M HA 0.324 4.804 4.480 -0.000 0.000 0.281 133 M C -2.403 174.272 176.300 0.624 0.000 1.025 133 M CA -0.594 55.034 55.300 0.546 0.000 0.954 133 M CB 2.495 35.394 32.600 0.498 0.000 1.639 133 M HN 0.563 nan 8.290 nan 0.000 0.461 134 Y N 3.787 124.399 120.300 0.520 0.000 2.487 134 Y HA 0.653 5.203 4.550 -0.000 0.000 0.337 134 Y C -1.190 174.890 175.900 0.300 0.000 1.076 134 Y CA -0.540 57.801 58.100 0.401 0.000 1.115 134 Y CB 1.448 40.175 38.460 0.444 0.000 1.235 134 Y HN 0.761 nan 8.280 nan 0.000 0.468 135 N N 3.285 121.528 118.700 -0.762 0.000 2.410 135 N HA 0.186 4.926 4.740 -0.000 0.000 0.287 135 N C -0.998 174.012 175.510 -0.833 0.000 1.044 135 N CA -0.369 52.353 53.050 -0.548 0.000 0.881 135 N CB 1.213 39.583 38.487 -0.195 0.000 1.405 135 N HN 0.786 nan 8.380 nan 0.000 0.490 136 N N 1.424 119.850 118.700 -0.455 0.000 2.294 136 N HA 0.081 4.821 4.740 -0.000 0.000 0.186 136 N C -0.638 174.820 175.510 -0.086 0.000 1.107 136 N CA 0.215 53.150 53.050 -0.191 0.000 0.884 136 N CB 0.409 38.936 38.487 0.067 0.000 1.030 136 N HN 0.524 nan 8.380 nan 0.000 0.482 137 E N 0.358 120.504 120.200 -0.091 0.000 2.371 137 E HA 0.021 4.371 4.350 -0.000 0.000 0.257 137 E C 0.124 176.701 176.600 -0.039 0.000 1.134 137 E CA 0.052 56.422 56.400 -0.051 0.000 0.919 137 E CB 0.368 30.038 29.700 -0.050 0.000 1.025 137 E HN 0.217 nan 8.360 nan 0.000 0.438 138 D N -0.010 120.378 120.400 -0.019 0.000 2.178 138 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 138 D C -0.133 176.164 176.300 -0.005 0.000 0.980 138 D CA 1.118 55.113 54.000 -0.009 0.000 0.842 138 D CB -0.081 40.718 40.800 -0.001 0.000 0.948 138 D HN 0.312 nan 8.370 nan 0.000 0.472 139 T N 3.271 117.822 114.554 -0.006 0.000 2.765 139 T HA 0.100 4.450 4.350 -0.000 0.000 0.284 139 T C -2.322 172.385 174.700 0.012 0.000 0.946 139 T CA -0.937 61.165 62.100 0.004 0.000 1.185 139 T CB 0.640 69.508 68.868 0.000 0.000 0.887 139 T HN 0.065 nan 8.240 nan 0.000 0.532 140 P HA 0.162 nan 4.420 nan 0.000 0.276 140 P C -0.112 177.225 177.300 0.061 0.000 1.264 140 P CA -0.358 62.765 63.100 0.038 0.000 0.769 140 P CB 0.470 32.194 31.700 0.040 0.000 0.840 141 V N 5.455 125.418 119.914 0.080 0.000 2.540 141 V HA 0.001 4.121 4.120 -0.000 0.000 0.297 141 V C 0.743 176.897 176.094 0.099 0.000 1.024 141 V CA 0.463 62.839 62.300 0.127 0.000 1.105 141 V CB 0.927 32.886 31.823 0.226 0.000 0.938 141 V HN 0.306 nan 8.190 nan 0.000 0.482 142 V N 5.152 125.119 119.914 0.088 0.000 2.443 142 V HA 0.779 4.899 4.120 -0.000 0.000 0.293 142 V C 0.121 176.247 176.094 0.053 0.000 1.021 142 V CA -0.390 61.963 62.300 0.089 0.000 0.848 142 V CB 1.570 33.467 31.823 0.122 0.000 0.998 142 V HN 0.983 nan 8.190 nan 0.000 0.424 143 A N 4.313 127.151 122.820 0.030 0.000 2.371 143 A HA 0.886 5.206 4.320 -0.000 0.000 0.311 143 A C -1.065 176.538 177.584 0.032 0.000 1.068 143 A CA -0.671 51.356 52.037 -0.016 0.000 0.744 143 A CB 2.076 20.997 19.000 -0.132 0.000 1.239 143 A HN 0.806 nan 8.150 nan 0.000 0.435 144 V N 2.517 122.478 119.914 0.077 0.000 2.513 144 V HA 0.830 4.950 4.120 -0.000 0.000 0.299 144 V C -0.199 175.905 176.094 0.016 0.000 1.035 144 V CA 0.408 62.710 62.300 0.003 0.000 0.889 144 V CB 1.817 33.506 31.823 -0.223 0.000 0.988 144 V HN 1.530 nan 8.190 nan 0.000 0.440 145 S N 6.659 122.265 115.700 -0.157 0.000 2.556 145 S HA 0.733 5.203 4.470 -0.000 0.000 0.271 145 S C -0.801 173.530 174.600 -0.449 0.000 1.135 145 S CA -0.830 57.168 58.200 -0.338 0.000 0.858 145 S CB 1.679 64.765 63.200 -0.190 0.000 1.114 145 S HN 1.107 nan 8.310 nan 0.000 0.468 146 I N -0.928 119.273 120.570 -0.614 0.000 2.707 146 I HA 0.750 4.920 4.170 -0.000 0.000 0.309 146 I C -1.167 174.808 176.117 -0.236 0.000 1.001 146 I CA -1.464 59.575 61.300 -0.435 0.000 1.129 146 I CB 1.363 39.045 38.000 -0.529 0.000 1.308 146 I HN 0.656 nan 8.210 nan 0.000 0.466 147 I N 2.786 123.257 120.570 -0.166 0.000 2.439 147 I HA 0.210 4.379 4.170 -0.000 0.000 0.285 147 I C -1.118 174.931 176.117 -0.114 0.000 1.021 147 I CA -0.271 60.960 61.300 -0.115 0.000 1.091 147 I CB 1.785 39.724 38.000 -0.102 0.000 1.242 147 I HN 0.610 nan 8.210 nan 0.000 0.439 148 D N 4.291 124.640 120.400 -0.085 0.000 2.483 148 D HA 0.058 4.698 4.640 -0.000 0.000 0.220 148 D C 1.463 177.727 176.300 -0.059 0.000 1.173 148 D CA -0.121 53.839 54.000 -0.066 0.000 0.964 148 D CB 0.733 41.503 40.800 -0.050 0.000 1.046 148 D HN 0.627 nan 8.370 nan 0.000 0.517 149 T N 0.023 114.531 114.554 -0.077 0.000 3.155 149 T HA -0.116 4.234 4.350 -0.000 0.000 0.264 149 T C 1.228 175.899 174.700 -0.048 0.000 1.160 149 T CA 0.497 62.553 62.100 -0.073 0.000 1.075 149 T CB -0.244 68.560 68.868 -0.106 0.000 0.921 149 T HN 0.213 nan 8.240 nan 0.000 0.533 150 N N 0.461 119.137 118.700 -0.040 0.000 2.238 150 N HA 0.276 5.016 4.740 -0.000 0.000 0.222 150 N C 0.144 175.637 175.510 -0.027 0.000 1.133 150 N CA -0.214 52.818 53.050 -0.030 0.000 0.854 150 N CB 0.451 38.922 38.487 -0.028 0.000 1.041 150 N HN 0.242 nan 8.380 nan 0.000 0.510 151 S N -0.215 115.468 115.700 -0.028 0.000 2.608 151 S HA 0.120 4.590 4.470 -0.000 0.000 0.261 151 S C 1.029 175.615 174.600 -0.023 0.000 1.314 151 S CA -0.386 57.799 58.200 -0.025 0.000 0.992 151 S CB 0.488 63.675 63.200 -0.023 0.000 0.935 151 S HN 0.174 nan 8.310 nan 0.000 0.564 152 L N 1.944 123.152 121.223 -0.025 0.000 2.446 152 L HA 0.239 4.579 4.340 -0.000 0.000 0.219 152 L C 2.126 178.981 176.870 -0.024 0.000 1.116 152 L CA 1.131 55.956 54.840 -0.025 0.000 0.844 152 L CB -0.560 41.481 42.059 -0.031 0.000 0.970 152 L HN 0.643 nan 8.230 nan 0.000 0.457 153 E N -0.781 119.406 120.200 -0.021 0.000 2.158 153 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 153 E C 0.680 177.273 176.600 -0.012 0.000 0.982 153 E CA 0.111 56.502 56.400 -0.015 0.000 0.823 153 E CB -0.402 29.296 29.700 -0.004 0.000 0.766 153 E HN 0.320 nan 8.360 nan 0.000 0.468 154 N N 2.237 120.929 118.700 -0.012 0.000 2.400 154 N HA -0.076 4.664 4.740 -0.000 0.000 0.278 154 N C 0.437 175.943 175.510 -0.007 0.000 1.247 154 N CA 0.288 53.332 53.050 -0.009 0.000 0.970 154 N CB 0.438 38.917 38.487 -0.014 0.000 1.312 154 N HN -0.000 nan 8.380 nan 0.000 0.488 155 Q N 2.330 122.128 119.800 -0.004 0.000 2.403 155 Q HA 0.192 4.532 4.340 -0.000 0.000 0.203 155 Q C 0.716 176.721 176.000 0.008 0.000 0.932 155 Q CA 0.215 56.017 55.803 -0.001 0.000 0.945 155 Q CB 0.394 29.131 28.738 -0.003 0.000 1.045 155 Q HN 0.646 nan 8.270 nan 0.000 0.511 156 L N -0.326 120.907 121.223 0.016 0.000 2.511 156 L HA 0.179 4.519 4.340 -0.000 0.000 0.184 156 L C 0.260 177.139 176.870 0.016 0.000 1.382 156 L CA 0.249 55.105 54.840 0.027 0.000 3.034 156 L CB -0.151 41.941 42.059 0.055 0.000 2.913 156 L HN 0.221 nan 8.230 nan 0.000 1.071 157 D N -2.861 117.547 120.400 0.014 0.000 2.566 157 D HA 0.206 4.846 4.640 -0.000 0.000 0.254 157 D C -0.326 175.967 176.300 -0.012 0.000 1.090 157 D CA -0.716 53.285 54.000 0.002 0.000 1.034 157 D CB 0.665 41.468 40.800 0.005 0.000 1.434 157 D HN 0.343 nan 8.370 nan 0.000 0.509 158 Q N -0.480 119.308 119.800 -0.019 0.000 2.624 158 Q HA -0.011 4.329 4.340 -0.000 0.000 0.219 158 Q C -0.014 175.951 176.000 -0.060 0.000 0.973 158 Q CA 0.646 56.427 55.803 -0.037 0.000 0.983 158 Q CB -0.290 28.432 28.738 -0.026 0.000 0.992 158 Q HN 0.281 nan 8.270 nan 0.000 0.574 159 M N 2.011 121.578 119.600 -0.055 0.000 2.209 159 M HA 0.378 4.858 4.480 -0.000 0.000 0.355 159 M C -2.468 173.742 176.300 -0.150 0.000 1.171 159 M CA -2.790 52.462 55.300 -0.081 0.000 1.069 159 M CB 1.081 33.663 32.600 -0.029 0.000 1.622 159 M HN -0.052 nan 8.290 nan 0.000 0.459 160 P HA 0.300 nan 4.420 nan 0.000 0.276 160 P C -1.336 175.757 177.300 -0.345 0.000 1.243 160 P CA -0.168 62.566 63.100 -0.611 0.000 0.768 160 P CB 0.267 31.148 31.700 -1.365 0.000 0.856 161 R N 1.429 121.879 120.500 -0.083 0.000 2.542 161 R HA 0.519 4.859 4.340 -0.000 0.000 0.284 161 R C -1.006 175.414 176.300 0.199 0.000 1.167 161 R CA -0.949 55.219 56.100 0.114 0.000 1.000 161 R CB 1.468 31.774 30.300 0.011 0.000 1.229 161 R HN 0.204 nan 8.270 nan 0.000 0.416 162 R N 2.902 123.501 120.500 0.165 0.000 2.349 162 R HA 0.362 4.702 4.340 -0.000 0.000 0.299 162 R C -1.112 175.002 176.300 -0.310 0.000 1.027 162 R CA -0.462 55.619 56.100 -0.031 0.000 0.958 162 R CB 0.702 30.874 30.300 -0.212 0.000 1.047 162 R HN 0.527 nan 8.270 nan 0.000 0.468 163 F N 4.899 124.500 119.950 -0.582 0.000 2.303 163 F HA 0.269 4.796 4.527 -0.000 0.000 0.368 163 F C -0.584 174.829 175.800 -0.645 0.000 1.105 163 F CA -0.641 56.966 58.000 -0.655 0.000 1.153 163 F CB 0.414 38.739 39.000 -1.125 0.000 1.362 163 F HN 0.405 nan 8.300 nan 0.000 0.511 164 Y N 3.063 123.287 120.300 -0.126 0.000 2.402 164 Y HA 0.122 4.672 4.550 -0.000 0.000 0.333 164 Y C 1.127 177.023 175.900 -0.007 0.000 1.076 164 Y CA -0.286 57.770 58.100 -0.074 0.000 1.299 164 Y CB 0.879 39.297 38.460 -0.070 0.000 1.197 164 Y HN 0.500 nan 8.280 nan 0.000 0.517 165 L N 2.905 124.264 121.223 0.227 0.000 2.376 165 L HA 0.202 4.542 4.340 -0.000 0.000 0.219 165 L C 0.656 177.631 176.870 0.176 0.000 1.133 165 L CA 0.939 55.912 54.840 0.222 0.000 0.816 165 L CB -0.399 41.800 42.059 0.235 0.000 0.933 165 L HN 0.710 nan 8.230 nan 0.000 0.449 166 A N -2.500 120.404 122.820 0.140 0.000 2.610 166 A HA 0.673 4.993 4.320 -0.000 0.000 0.291 166 A C -0.141 177.444 177.584 0.002 0.000 1.086 166 A CA -0.161 51.914 52.037 0.065 0.000 0.677 166 A CB 0.413 19.434 19.000 0.035 0.000 1.278 166 A HN 0.510 nan 8.150 nan 0.000 0.414 167 G N 0.479 109.264 108.800 -0.026 0.000 2.721 167 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 167 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 167 G C -1.042 173.813 174.900 -0.074 0.000 1.236 167 G CA -0.418 44.639 45.100 -0.072 0.000 0.786 167 G HN 1.106 nan 8.290 nan 0.000 0.616 168 N N 2.392 121.048 118.700 -0.074 0.000 2.678 168 N HA 0.437 5.177 4.740 -0.000 0.000 0.231 168 N C 0.176 175.634 175.510 -0.087 0.000 1.038 168 N CA -0.110 52.902 53.050 -0.064 0.000 0.932 168 N CB 1.219 39.679 38.487 -0.046 0.000 1.176 168 N HN 0.885 nan 8.380 nan 0.000 0.511 169 Q N 0.171 119.909 119.800 -0.103 0.000 2.426 169 Q HA 0.224 4.564 4.340 -0.000 0.000 0.278 169 Q C -1.157 174.796 176.000 -0.080 0.000 1.007 169 Q CA -0.761 54.971 55.803 -0.118 0.000 0.850 169 Q CB 1.276 29.894 28.738 -0.200 0.000 1.427 169 Q HN 0.476 nan 8.270 nan 0.000 0.391 170 E N 1.684 121.846 120.200 -0.064 0.000 2.259 170 E HA 0.157 4.507 4.350 -0.000 0.000 0.281 170 E C -0.174 176.423 176.600 -0.005 0.000 1.037 170 E CA -0.583 55.796 56.400 -0.035 0.000 0.854 170 E CB 1.127 30.797 29.700 -0.051 0.000 1.051 170 E HN 0.595 nan 8.360 nan 0.000 0.409 171 Q N 3.016 122.854 119.800 0.063 0.000 2.304 171 Q HA -0.149 4.191 4.340 -0.000 0.000 0.315 171 Q C -0.050 175.948 176.000 -0.003 0.000 1.075 171 Q CA 0.426 56.300 55.803 0.118 0.000 0.988 171 Q CB 0.642 29.407 28.738 0.044 0.000 1.146 171 Q HN 0.658 nan 8.270 nan 0.000 0.383 172 E N 3.082 123.233 120.200 -0.081 0.000 2.113 172 E HA -0.240 4.110 4.350 -0.000 0.000 0.210 172 E C 1.046 177.508 176.600 -0.230 0.000 1.040 172 E CA 2.418 58.653 56.400 -0.276 0.000 0.847 172 E CB -0.281 29.041 29.700 -0.631 0.000 0.755 172 E HN 0.701 nan 8.360 nan 0.000 0.459 173 F N -0.025 119.977 119.950 0.087 0.000 2.780 173 F HA 0.089 4.616 4.527 -0.000 0.000 0.299 173 F C 1.921 177.756 175.800 0.057 0.000 1.146 173 F CA 0.002 58.114 58.000 0.186 0.000 1.428 173 F CB -0.269 38.838 39.000 0.178 0.000 1.115 173 F HN 0.036 nan 8.300 nan 0.000 0.583 174 L N 1.130 122.414 121.223 0.102 0.000 2.089 174 L HA -0.278 4.061 4.340 -0.000 0.000 0.213 174 L C 2.517 179.353 176.870 -0.056 0.000 1.079 174 L CA 1.957 56.804 54.840 0.011 0.000 0.758 174 L CB -0.692 41.348 42.059 -0.031 0.000 0.891 174 L HN 0.179 nan 8.230 nan 0.000 0.433 175 K N -0.441 119.843 120.400 -0.194 0.000 2.103 175 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 175 K C 2.067 178.486 176.600 -0.302 0.000 1.048 175 K CA 1.736 57.828 56.287 -0.325 0.000 0.930 175 K CB -0.317 31.869 32.500 -0.522 0.000 0.716 175 K HN 0.387 nan 8.250 nan 0.000 0.444 176 Y N 0.878 121.214 120.300 0.059 0.000 2.286 176 Y HA -0.036 4.514 4.550 -0.000 0.000 0.293 176 Y C 2.662 178.580 175.900 0.029 0.000 1.124 176 Y CA 0.934 59.065 58.100 0.050 0.000 1.178 176 Y CB -0.506 37.996 38.460 0.071 0.000 1.010 176 Y HN 0.197 nan 8.280 nan 0.000 0.536 177 Q N 0.708 120.597 119.800 0.148 0.000 2.050 177 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 177 Q C 1.189 177.213 176.000 0.039 0.000 0.980 177 Q CA 1.188 57.038 55.803 0.077 0.000 0.840 177 Q CB 0.026 28.794 28.738 0.050 0.000 0.898 177 Q HN 0.625 nan 8.270 nan 0.000 0.424 199 G N -1.288 107.493 108.800 -0.032 0.000 2.353 199 G HA2 0.574 4.534 3.960 -0.000 0.000 0.308 199 G HA3 0.574 4.534 3.960 -0.000 0.000 0.308 199 G C -0.183 174.716 174.900 -0.003 0.000 1.418 199 G CA 0.717 45.804 45.100 -0.022 0.000 0.966 199 G HN 1.972 nan 8.290 nan 0.000 0.638 200 S N -0.972 114.740 115.700 0.021 0.000 2.686 200 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 200 S C 2.011 176.640 174.600 0.047 0.000 1.194 200 S CA -0.008 58.229 58.200 0.061 0.000 0.990 200 S CB 0.957 64.212 63.200 0.092 0.000 1.029 200 S HN 1.800 nan 8.310 nan 0.000 0.560 201 I N -1.981 118.640 120.570 0.086 0.000 2.700 201 I HA -0.001 4.169 4.170 -0.000 0.000 0.261 201 I C 1.635 177.836 176.117 0.140 0.000 1.219 201 I CA 1.155 62.509 61.300 0.090 0.000 1.463 201 I CB -0.324 37.800 38.000 0.207 0.000 1.092 201 I HN 0.431 nan 8.210 nan 0.000 0.452 202 L N 1.269 122.614 121.223 0.203 0.000 2.202 202 L HA 0.002 4.342 4.340 -0.000 0.000 0.205 202 L C 2.785 179.805 176.870 0.250 0.000 1.083 202 L CA 1.724 56.751 54.840 0.312 0.000 0.790 202 L CB -0.290 41.924 42.059 0.258 0.000 0.942 202 L HN 0.440 nan 8.230 nan 0.000 0.452 203 S N -1.624 114.153 115.700 0.127 0.000 2.453 203 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 203 S C 2.047 176.685 174.600 0.065 0.000 1.005 203 S CA 0.625 58.878 58.200 0.089 0.000 0.949 203 S CB -0.953 62.272 63.200 0.041 0.000 0.774 203 S HN 0.367 nan 8.310 nan 0.000 0.510 204 G N 0.767 109.568 108.800 0.002 0.000 2.443 204 G HA2 0.063 4.023 3.960 -0.000 0.000 0.219 204 G HA3 0.063 4.023 3.960 -0.000 0.000 0.219 204 G C 0.309 175.181 174.900 -0.046 0.000 1.131 204 G CA 0.011 45.068 45.100 -0.071 0.000 0.775 204 G HN 0.414 nan 8.290 nan 0.000 0.547 205 F N 1.183 121.159 119.950 0.043 0.000 2.539 205 F HA 0.278 4.805 4.527 0.000 0.000 0.340 205 F C 1.409 177.232 175.800 0.038 0.000 1.185 205 F CA -0.446 57.580 58.000 0.044 0.000 1.333 205 F CB 0.334 39.413 39.000 0.131 0.000 1.152 205 F HN -0.227 nan 8.300 nan 0.000 0.602 206 T N 3.858 118.600 114.554 0.314 0.000 2.860 206 T HA 0.107 4.457 4.350 -0.000 0.000 0.299 206 T C 1.566 176.388 174.700 0.204 0.000 1.045 206 T CA -0.669 61.536 62.100 0.175 0.000 1.071 206 T CB 0.607 69.514 68.868 0.065 0.000 0.985 206 T HN 0.282 nan 8.240 nan 0.000 0.537 207 L N 1.979 123.291 121.223 0.148 0.000 2.017 207 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 207 L C 2.656 179.619 176.870 0.156 0.000 1.073 207 L CA 1.820 56.739 54.840 0.132 0.000 0.745 207 L CB -1.250 40.863 42.059 0.090 0.000 0.894 207 L HN 0.757 nan 8.230 nan 0.000 0.432 208 E N -1.181 119.124 120.200 0.175 0.000 2.274 208 E HA -0.189 4.160 4.350 -0.000 0.000 0.194 208 E C 2.237 178.985 176.600 0.247 0.000 0.996 208 E CA 0.776 57.288 56.400 0.187 0.000 0.840 208 E CB -0.580 29.227 29.700 0.179 0.000 0.772 208 E HN 0.276 nan 8.360 nan 0.000 0.491 209 F N 1.219 121.194 119.950 0.042 0.000 2.163 209 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 209 F C 2.095 177.854 175.800 -0.067 0.000 1.094 209 F CA 0.632 58.604 58.000 -0.047 0.000 1.290 209 F CB -0.204 38.727 39.000 -0.114 0.000 1.017 209 F HN -0.018 nan 8.300 nan 0.000 0.483 210 L N 0.120 121.461 121.223 0.196 0.000 2.083 210 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 210 L C 2.246 179.273 176.870 0.261 0.000 1.083 210 L CA 1.546 56.530 54.840 0.240 0.000 0.752 210 L CB -1.161 41.040 42.059 0.238 0.000 0.899 210 L HN 0.179 nan 8.230 nan 0.000 0.433 211 E N -1.462 118.845 120.200 0.178 0.000 2.007 211 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 211 E C 2.185 178.872 176.600 0.146 0.000 0.999 211 E CA 1.228 57.713 56.400 0.142 0.000 0.811 211 E CB -0.175 29.585 29.700 0.101 0.000 0.762 211 E HN 0.440 nan 8.360 nan 0.000 0.450 212 H N 0.368 119.431 119.070 -0.012 0.000 2.421 212 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 212 H C 1.711 176.967 175.328 -0.121 0.000 1.087 212 H CA 1.594 57.593 56.048 -0.082 0.000 1.330 212 H CB -0.171 29.500 29.762 -0.153 0.000 1.388 212 H HN 0.194 nan 8.280 nan 0.000 0.526 213 A N -0.104 122.707 122.820 -0.016 0.000 1.841 213 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 213 A C 2.195 179.657 177.584 -0.204 0.000 1.195 213 A CA 1.355 53.263 52.037 -0.216 0.000 0.611 213 A CB -1.120 17.672 19.000 -0.346 0.000 0.835 213 A HN 0.344 nan 8.150 nan 0.000 0.443 214 F N -0.330 119.605 119.950 -0.024 0.000 2.780 214 F HA 0.152 4.679 4.527 -0.000 0.000 0.299 214 F C 1.562 177.361 175.800 -0.001 0.000 1.146 214 F CA 0.924 58.919 58.000 -0.008 0.000 1.428 214 F CB 0.090 39.090 39.000 -0.000 0.000 1.115 214 F HN 0.224 nan 8.300 nan 0.000 0.583 215 S N 0.149 115.941 115.700 0.154 0.000 3.748 215 S HA -0.138 4.332 4.470 -0.000 0.000 0.329 215 S C 0.022 174.668 174.600 0.077 0.000 1.104 215 S CA 0.275 58.524 58.200 0.083 0.000 0.954 215 S CB -1.808 61.423 63.200 0.052 0.000 0.910 215 S HN 0.308 nan 8.310 nan 0.000 0.494 216 V N -0.816 119.156 119.914 0.097 0.000 3.345 216 V HA 0.815 4.935 4.120 -0.000 0.000 0.308 216 V C 0.437 176.550 176.094 0.032 0.000 1.168 216 V CA -0.357 61.977 62.300 0.056 0.000 1.024 216 V CB 1.222 33.073 31.823 0.046 0.000 1.211 216 V HN 0.503 nan 8.190 nan 0.000 0.461 217 D N -0.250 120.159 120.400 0.014 0.000 2.329 217 D HA 0.130 4.770 4.640 -0.000 0.000 0.246 217 D C 0.316 176.621 176.300 0.009 0.000 1.111 217 D CA -0.596 53.408 54.000 0.007 0.000 0.941 217 D CB 2.095 42.894 40.800 -0.001 0.000 1.169 217 D HN 0.666 nan 8.370 nan 0.000 0.441 218 K N -0.085 120.322 120.400 0.011 0.000 2.442 218 K HA -0.173 4.147 4.320 -0.000 0.000 0.198 218 K C 2.022 178.626 176.600 0.005 0.000 1.042 218 K CA 0.723 57.019 56.287 0.015 0.000 0.958 218 K CB 0.113 32.624 32.500 0.019 0.000 0.766 218 K HN 0.445 nan 8.250 nan 0.000 0.474 219 Q N 0.575 120.373 119.800 -0.003 0.000 2.123 219 Q HA -0.084 4.256 4.340 -0.000 0.000 0.199 219 Q C 1.876 177.864 176.000 -0.021 0.000 0.966 219 Q CA 1.345 57.142 55.803 -0.010 0.000 0.845 219 Q CB 0.074 28.805 28.738 -0.011 0.000 0.907 219 Q HN 0.546 nan 8.270 nan 0.000 0.439 220 I N -3.533 117.020 120.570 -0.029 0.000 3.603 220 I HA 0.286 4.456 4.170 -0.000 0.000 0.297 220 I C 1.800 177.873 176.117 -0.073 0.000 1.269 220 I CA 0.654 61.922 61.300 -0.052 0.000 1.361 220 I CB -0.027 37.938 38.000 -0.058 0.000 1.063 220 I HN 0.013 nan 8.210 nan 0.000 0.448 221 A N 1.915 124.708 122.820 -0.044 0.000 2.016 221 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 221 A C 2.413 179.986 177.584 -0.018 0.000 1.162 221 A CA 1.343 53.358 52.037 -0.037 0.000 0.662 221 A CB -0.350 18.664 19.000 0.024 0.000 0.812 221 A HN 0.479 nan 8.150 nan 0.000 0.450 222 K N -0.635 119.759 120.400 -0.010 0.000 2.305 222 K HA -0.040 4.280 4.320 -0.000 0.000 0.199 222 K C 1.580 178.170 176.600 -0.017 0.000 1.047 222 K CA 1.006 57.292 56.287 -0.001 0.000 0.976 222 K CB -0.098 32.404 32.500 0.004 0.000 0.765 222 K HN 0.401 nan 8.250 nan 0.000 0.474 223 N N 0.678 119.357 118.700 -0.036 0.000 2.135 223 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 223 N C 1.475 176.949 175.510 -0.059 0.000 1.027 223 N CA 0.708 53.731 53.050 -0.046 0.000 0.849 223 N CB -0.101 38.352 38.487 -0.056 0.000 1.002 223 N HN 0.067 nan 8.380 nan 0.000 0.425 224 L N 1.184 122.351 121.223 -0.094 0.000 2.127 224 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 224 L C 1.262 178.101 176.870 -0.053 0.000 1.089 224 L CA 1.624 56.381 54.840 -0.137 0.000 0.757 224 L CB -0.483 41.413 42.059 -0.272 0.000 0.899 224 L HN 0.289 nan 8.230 nan 0.000 0.434 225 Q N -0.613 119.182 119.800 -0.008 0.000 2.292 225 Q HA 0.128 4.468 4.340 -0.000 0.000 0.247 225 Q C 1.205 177.220 176.000 0.026 0.000 0.911 225 Q CA 0.462 56.291 55.803 0.044 0.000 0.948 225 Q CB -0.577 28.197 28.738 0.060 0.000 1.093 225 Q HN 0.655 nan 8.270 nan 0.000 0.428 226 G N 0.534 109.338 108.800 0.007 0.000 2.257 226 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 226 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 226 G C 0.111 175.002 174.900 -0.016 0.000 0.984 226 G CA 0.802 45.898 45.100 -0.006 0.000 0.626 226 G HN 0.477 nan 8.290 nan 0.000 0.540 234 G N 1.557 110.295 108.800 -0.104 0.000 3.086 234 G HA2 0.405 4.365 3.960 -0.000 0.000 0.159 234 G HA3 0.405 4.365 3.960 -0.000 0.000 0.159 234 G C 1.019 175.776 174.900 -0.238 0.000 1.654 234 G CA 0.106 45.108 45.100 -0.163 0.000 1.078 234 G HN 0.604 nan 8.290 nan 0.000 0.558 235 A N -0.619 122.018 122.820 -0.304 0.000 1.933 235 A HA 0.184 4.504 4.320 -0.000 0.000 0.218 235 A C 1.121 178.602 177.584 -0.172 0.000 1.175 235 A CA 0.905 52.696 52.037 -0.411 0.000 0.628 235 A CB -0.556 18.256 19.000 -0.313 0.000 0.814 235 A HN 0.436 nan 8.150 nan 0.000 0.444 236 I N 0.142 120.659 120.570 -0.089 0.000 2.354 236 I HA 0.435 4.605 4.170 -0.000 0.000 0.286 236 I C -1.061 175.049 176.117 -0.012 0.000 1.007 236 I CA -0.585 60.707 61.300 -0.013 0.000 1.167 236 I CB 1.840 39.851 38.000 0.018 0.000 1.320 236 I HN -0.170 nan 8.210 nan 0.000 0.458 237 V N 4.589 124.509 119.914 0.009 0.000 2.448 237 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 237 V C 0.328 176.452 176.094 0.050 0.000 1.025 237 V CA -0.597 61.709 62.300 0.009 0.000 0.859 237 V CB 2.276 34.089 31.823 -0.017 0.000 0.988 237 V HN 0.848 nan 8.190 nan 0.000 0.431 238 T N 2.589 117.169 114.554 0.043 0.000 2.769 238 T HA 0.329 4.679 4.350 -0.000 0.000 0.293 238 T C -0.084 174.655 174.700 0.066 0.000 0.931 238 T CA -0.494 61.646 62.100 0.067 0.000 1.139 238 T CB 0.556 69.451 68.868 0.046 0.000 0.881 238 T HN 0.310 nan 8.240 nan 0.000 0.532 239 V N 5.652 125.634 119.914 0.113 0.000 2.390 239 V HA 0.076 4.196 4.120 -0.000 0.000 0.260 239 V C 1.980 178.113 176.094 0.066 0.000 1.043 239 V CA -0.344 62.001 62.300 0.075 0.000 1.047 239 V CB 0.130 32.006 31.823 0.089 0.000 1.066 239 V HN 0.917 nan 8.190 nan 0.000 0.481 240 K N 4.607 125.025 120.400 0.031 0.000 2.020 240 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 240 K C 1.978 178.597 176.600 0.030 0.000 1.050 240 K CA 2.208 58.511 56.287 0.026 0.000 0.929 240 K CB -0.402 32.104 32.500 0.009 0.000 0.714 240 K HN 0.785 nan 8.250 nan 0.000 0.443 241 G N -0.477 108.333 108.800 0.018 0.000 2.408 241 G HA2 0.129 4.089 3.960 -0.000 0.000 0.215 241 G HA3 0.129 4.089 3.960 -0.000 0.000 0.215 241 G C 0.366 175.289 174.900 0.039 0.000 1.156 241 G CA 0.708 45.818 45.100 0.018 0.000 0.793 241 G HN 0.672 nan 8.290 nan 0.000 0.535 242 G N -0.558 108.266 108.800 0.040 0.000 3.190 242 G HA2 0.049 4.009 3.960 -0.000 0.000 0.686 242 G HA3 0.049 4.009 3.960 -0.000 0.000 0.686 242 G C -0.342 174.524 174.900 -0.057 0.000 1.033 242 G CA -0.685 44.463 45.100 0.080 0.000 0.797 242 G HN 0.574 nan 8.290 nan 0.000 0.567 243 L N 1.529 122.579 121.223 -0.288 0.000 2.693 243 L HA 0.128 4.468 4.340 -0.000 0.000 0.292 243 L C 2.037 178.806 176.870 -0.169 0.000 1.243 243 L CA 1.663 56.301 54.840 -0.336 0.000 0.903 243 L CB 0.935 42.610 42.059 -0.640 0.000 1.160 243 L HN 0.908 nan 8.230 nan 0.000 0.496 244 S N 2.319 117.947 115.700 -0.120 0.000 2.561 244 S HA 0.044 4.514 4.470 -0.000 0.000 0.225 244 S C 0.628 175.199 174.600 -0.048 0.000 0.977 244 S CA -0.284 57.879 58.200 -0.061 0.000 0.926 244 S CB 0.043 63.214 63.200 -0.048 0.000 0.769 244 S HN 0.323 nan 8.310 nan 0.000 0.533 245 V N 3.379 123.243 119.914 -0.083 0.000 2.485 245 V HA 0.086 4.206 4.120 -0.000 0.000 0.287 245 V C 1.023 177.124 176.094 0.012 0.000 1.022 245 V CA -0.332 61.948 62.300 -0.034 0.000 1.067 245 V CB -0.364 31.419 31.823 -0.066 0.000 0.967 245 V HN 0.387 nan 8.190 nan 0.000 0.479 246 I N 4.898 125.488 120.570 0.033 0.000 3.520 246 I HA -0.013 4.157 4.170 -0.000 0.000 0.204 246 I C 0.789 176.935 176.117 0.047 0.000 1.391 246 I CA 0.840 62.162 61.300 0.037 0.000 0.970 246 I CB 0.116 38.135 38.000 0.033 0.000 1.599 246 I HN 0.638 nan 8.210 nan 0.000 0.908 247 K N 2.527 122.944 120.400 0.029 0.000 2.790 247 K HA 0.385 4.704 4.320 -0.000 0.000 0.253 247 K C -2.603 173.998 176.600 0.000 0.000 1.082 247 K CA -1.300 54.999 56.287 0.019 0.000 1.067 247 K CB 0.477 32.992 32.500 0.024 0.000 1.284 247 K HN 0.345 nan 8.250 nan 0.000 0.529 298 c N 1.114 119.539 118.600 -0.292 0.000 2.514 298 c HA 0.219 4.789 4.570 -0.000 0.000 0.271 298 c C 2.222 176.279 174.090 -0.055 0.000 1.399 298 c CA 1.274 57.500 56.329 -0.171 0.000 1.765 298 c CB -1.372 41.083 42.510 -0.092 0.000 1.893 298 c HN 0.723 nan 8.230 nan 0.000 0.531 299 T N -3.183 111.337 114.554 -0.056 0.000 2.975 299 T HA 0.190 4.540 4.350 -0.000 0.000 0.257 299 T C 0.541 175.240 174.700 -0.002 0.000 1.003 299 T CA -0.107 61.994 62.100 0.003 0.000 0.932 299 T CB -0.130 68.741 68.868 0.005 0.000 1.087 299 T HN 0.400 nan 8.240 nan 0.000 0.512 300 M N 2.582 122.144 119.600 -0.064 0.000 2.252 300 M HA 0.190 4.670 4.480 -0.000 0.000 0.329 300 M C 0.246 176.504 176.300 -0.070 0.000 1.101 300 M CA -0.181 55.077 55.300 -0.071 0.000 1.117 300 M CB 0.605 33.114 32.600 -0.152 0.000 1.563 300 M HN 0.119 nan 8.290 nan 0.000 0.445 301 R N 5.757 126.251 120.500 -0.010 0.000 2.351 301 R HA 0.137 4.477 4.340 -0.000 0.000 0.318 301 R C -0.117 176.210 176.300 0.045 0.000 1.055 301 R CA -0.262 55.836 56.100 -0.002 0.000 0.968 301 R CB 0.221 30.557 30.300 0.061 0.000 0.974 301 R HN 0.689 nan 8.270 nan 0.000 0.439 302 L N 3.350 124.507 121.223 -0.110 0.000 3.094 302 L HA 0.470 4.810 4.340 -0.000 0.000 0.254 302 L C -0.224 176.739 176.870 0.154 0.000 1.298 302 L CA 0.068 54.950 54.840 0.071 0.000 1.050 302 L CB -0.799 41.201 42.059 -0.099 0.000 1.420 302 L HN 0.623 nan 8.230 nan 0.000 0.548 303 R N 0.350 120.876 120.500 0.044 0.000 2.566 303 R HA 0.552 4.892 4.340 -0.000 0.000 0.271 303 R C -1.953 174.087 176.300 -0.433 0.000 1.071 303 R CA -0.540 55.490 56.100 -0.117 0.000 0.915 303 R CB 2.275 32.592 30.300 0.028 0.000 1.228 303 R HN 0.436 nan 8.270 nan 0.000 0.449 304 H N 1.455 120.101 119.070 -0.707 0.000 3.038 304 H HA 0.286 4.842 4.556 -0.000 0.000 0.362 304 H C -1.514 173.603 175.328 -0.351 0.000 1.167 304 H CA -0.596 55.036 56.048 -0.694 0.000 1.197 304 H CB 1.762 30.730 29.762 -1.324 0.000 1.840 304 H HN 0.492 nan 8.280 nan 0.000 0.540 305 N N 4.520 123.005 118.700 -0.359 0.000 2.457 305 N HA 0.143 4.883 4.740 -0.000 0.000 0.250 305 N C 0.246 175.692 175.510 -0.106 0.000 0.982 305 N CA -0.231 52.703 53.050 -0.194 0.000 0.941 305 N CB 0.656 39.019 38.487 -0.207 0.000 1.120 305 N HN 0.699 nan 8.380 nan 0.000 0.505 306 I N 0.697 121.279 120.570 0.021 0.000 3.914 306 I HA 0.452 4.622 4.170 -0.000 0.000 0.333 306 I C 0.943 177.023 176.117 -0.061 0.000 1.449 306 I CA -0.739 60.602 61.300 0.068 0.000 1.135 306 I CB 0.371 38.474 38.000 0.172 0.000 1.073 306 I HN 0.198 nan 8.210 nan 0.000 0.401 307 G N 0.718 109.380 108.800 -0.230 0.000 2.516 307 G HA2 0.106 4.066 3.960 -0.000 0.000 0.276 307 G HA3 0.106 4.066 3.960 -0.000 0.000 0.276 307 G C 0.344 174.978 174.900 -0.443 0.000 1.390 307 G CA -0.272 44.461 45.100 -0.612 0.000 1.050 307 G HN 0.358 nan 8.290 nan 0.000 0.519 308 Q N -1.717 117.849 119.800 -0.389 0.000 2.291 308 Q HA -0.057 4.283 4.340 -0.000 0.000 0.205 308 Q C 2.717 178.683 176.000 -0.057 0.000 0.970 308 Q CA 1.342 57.112 55.803 -0.056 0.000 0.876 308 Q CB -0.113 28.638 28.738 0.022 0.000 0.935 308 Q HN 0.571 nan 8.270 nan 0.000 0.455 309 T N -0.155 114.338 114.554 -0.101 0.000 2.833 309 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 309 T C 0.909 175.558 174.700 -0.085 0.000 1.054 309 T CA 0.620 62.668 62.100 -0.088 0.000 1.135 309 T CB -0.100 68.708 68.868 -0.099 0.000 0.869 309 T HN 0.204 nan 8.240 nan 0.000 0.466 310 S N 1.402 117.049 115.700 -0.088 0.000 2.576 310 S HA 0.159 4.629 4.470 -0.000 0.000 0.272 310 S C 0.316 174.885 174.600 -0.052 0.000 1.352 310 S CA -0.510 57.644 58.200 -0.078 0.000 1.021 310 S CB 0.315 63.476 63.200 -0.065 0.000 0.887 310 S HN 0.529 nan 8.310 nan 0.000 0.542 311 S N 4.302 119.973 115.700 -0.049 0.000 2.474 311 S HA 0.431 4.901 4.470 -0.000 0.000 0.276 311 S C -2.304 172.295 174.600 -0.002 0.000 1.227 311 S CA -1.179 56.999 58.200 -0.037 0.000 1.050 311 S CB 0.664 63.844 63.200 -0.034 0.000 0.939 311 S HN 0.657 nan 8.310 nan 0.000 0.490 312 P HA 0.308 nan 4.420 nan 0.000 0.274 312 P C -0.389 176.942 177.300 0.052 0.000 1.237 312 P CA -0.283 62.850 63.100 0.056 0.000 0.793 312 P CB 0.790 32.548 31.700 0.098 0.000 0.977 313 D N 0.171 120.596 120.400 0.041 0.000 2.149 313 D HA 0.054 4.694 4.640 -0.000 0.000 0.206 313 D C 0.363 176.690 176.300 0.046 0.000 0.967 313 D CA 1.259 55.272 54.000 0.022 0.000 0.848 313 D CB -0.174 40.612 40.800 -0.023 0.000 0.998 313 D HN 0.290 nan 8.370 nan 0.000 0.474 314 I N -0.352 120.252 120.570 0.057 0.000 2.441 314 I HA 0.288 4.458 4.170 -0.000 0.000 0.295 314 I C -1.312 174.913 176.117 0.181 0.000 0.994 314 I CA -0.898 60.462 61.300 0.100 0.000 1.144 314 I CB 1.673 39.725 38.000 0.086 0.000 1.314 314 I HN -0.106 nan 8.210 nan 0.000 0.445 315 Y N 6.777 127.102 120.300 0.043 0.000 2.307 315 Y HA 0.448 4.998 4.550 -0.000 0.000 0.323 315 Y C -1.291 174.628 175.900 0.031 0.000 1.100 315 Y CA -0.913 57.208 58.100 0.035 0.000 1.140 315 Y CB 1.073 39.552 38.460 0.032 0.000 1.159 315 Y HN 0.568 nan 8.280 nan 0.000 0.436 316 N N 8.335 126.715 118.700 -0.535 0.000 2.443 316 N HA 0.357 5.097 4.740 -0.000 0.000 0.269 316 N C -2.353 172.705 175.510 -0.753 0.000 0.985 316 N CA -2.248 50.473 53.050 -0.547 0.000 0.921 316 N CB 2.665 40.928 38.487 -0.374 0.000 1.195 316 N HN 0.383 nan 8.380 nan 0.000 0.492 317 P HA -0.055 nan 4.420 nan 0.000 0.226 317 P C 0.459 177.618 177.300 -0.235 0.000 1.153 317 P CA 1.159 63.977 63.100 -0.471 0.000 0.777 317 P CB 0.682 32.254 31.700 -0.214 0.000 0.794 318 Q N -1.279 118.367 119.800 -0.256 0.000 2.396 318 Q HA 0.222 4.562 4.340 -0.000 0.000 0.220 318 Q C 1.991 177.871 176.000 -0.199 0.000 0.900 318 Q CA 0.736 56.425 55.803 -0.191 0.000 0.925 318 Q CB 0.125 28.743 28.738 -0.199 0.000 1.065 318 Q HN 0.176 nan 8.270 nan 0.000 0.535 319 A N 0.118 122.781 122.820 -0.260 0.000 1.938 319 A HA 0.572 4.892 4.320 -0.000 0.000 0.207 319 A C 1.012 178.531 177.584 -0.108 0.000 1.292 319 A CA 1.152 53.072 52.037 -0.194 0.000 0.700 319 A CB 0.303 19.151 19.000 -0.254 0.000 0.947 319 A HN 0.374 nan 8.150 nan 0.000 0.476 320 G N -1.497 107.230 108.800 -0.121 0.000 2.566 320 G HA2 0.495 4.455 3.960 -0.000 0.000 0.138 320 G HA3 0.495 4.455 3.960 -0.000 0.000 0.138 320 G C -0.765 174.155 174.900 0.033 0.000 1.133 320 G CA 0.599 45.690 45.100 -0.015 0.000 1.037 320 G HN 1.634 nan 8.290 nan 0.000 0.491 321 S N -1.695 114.064 115.700 0.097 0.000 2.558 321 S HA 0.665 5.135 4.470 -0.000 0.000 0.277 321 S C -1.657 172.968 174.600 0.041 0.000 1.143 321 S CA -0.469 57.819 58.200 0.148 0.000 0.865 321 S CB 1.763 65.130 63.200 0.278 0.000 1.102 321 S HN 1.522 nan 8.310 nan 0.000 0.454 322 V N 1.991 121.927 119.914 0.037 0.000 2.525 322 V HA 0.683 4.803 4.120 -0.000 0.000 0.299 322 V C -0.467 175.607 176.094 -0.035 0.000 1.034 322 V CA -0.324 61.937 62.300 -0.066 0.000 0.863 322 V CB 1.808 33.560 31.823 -0.119 0.000 0.999 322 V HN 1.071 nan 8.190 nan 0.000 0.423 323 T N 2.880 117.435 114.554 0.001 0.000 2.856 323 T HA 0.751 5.101 4.350 -0.000 0.000 0.283 323 T C -0.098 174.613 174.700 0.017 0.000 1.008 323 T CA -0.603 61.528 62.100 0.051 0.000 0.997 323 T CB 1.766 70.717 68.868 0.138 0.000 0.992 323 T HN 0.881 nan 8.240 nan 0.000 0.454 324 T N -1.067 113.492 114.554 0.009 0.000 2.952 324 T HA 0.729 5.079 4.350 -0.000 0.000 0.305 324 T C -0.901 173.817 174.700 0.030 0.000 1.064 324 T CA -1.008 61.089 62.100 -0.006 0.000 1.008 324 T CB 1.597 70.423 68.868 -0.070 0.000 1.078 324 T HN 0.722 nan 8.240 nan 0.000 0.459 325 A N 3.287 126.131 122.820 0.041 0.000 2.322 325 A HA 0.701 5.021 4.320 -0.000 0.000 0.327 325 A C 0.802 178.389 177.584 0.005 0.000 1.394 325 A CA -0.503 51.538 52.037 0.005 0.000 0.921 325 A CB -0.176 18.822 19.000 -0.003 0.000 1.153 325 A HN 1.245 nan 8.150 nan 0.000 0.523 326 T N -0.816 113.730 114.554 -0.014 0.000 2.867 326 T HA 0.375 4.725 4.350 -0.000 0.000 0.286 326 T C 1.353 176.040 174.700 -0.022 0.000 1.022 326 T CA 0.276 62.365 62.100 -0.018 0.000 0.933 326 T CB 0.729 69.586 68.868 -0.019 0.000 1.280 326 T HN 1.047 nan 8.240 nan 0.000 0.566 327 S N -0.353 115.329 115.700 -0.031 0.000 2.603 327 S HA 0.044 4.514 4.470 -0.000 0.000 0.220 327 S C 1.740 176.343 174.600 0.004 0.000 0.967 327 S CA -0.269 57.913 58.200 -0.031 0.000 0.920 327 S CB -0.606 62.574 63.200 -0.034 0.000 0.773 327 S HN 0.515 nan 8.310 nan 0.000 0.529 328 L N 2.595 123.822 121.223 0.007 0.000 2.095 328 L HA 0.057 4.397 4.340 -0.000 0.000 0.204 328 L C 1.720 178.614 176.870 0.040 0.000 1.080 328 L CA 2.049 56.901 54.840 0.021 0.000 0.759 328 L CB -1.484 40.583 42.059 0.014 0.000 0.914 328 L HN 0.527 nan 8.230 nan 0.000 0.439 329 D N -2.790 117.633 120.400 0.039 0.000 2.360 329 D HA -0.069 4.571 4.640 -0.000 0.000 0.210 329 D C 0.468 176.812 176.300 0.073 0.000 1.047 329 D CA 0.028 54.069 54.000 0.069 0.000 0.854 329 D CB 0.101 40.952 40.800 0.085 0.000 0.936 329 D HN 0.065 nan 8.370 nan 0.000 0.514 330 F N 1.542 121.380 119.950 -0.187 0.000 2.794 330 F HA 0.350 4.877 4.527 -0.000 0.000 0.353 330 F C -2.243 173.502 175.800 -0.090 0.000 1.371 330 F CA -3.064 54.807 58.000 -0.215 0.000 1.173 330 F CB 1.224 39.940 39.000 -0.475 0.000 1.693 330 F HN -0.244 nan 8.300 nan 0.000 0.606 331 P HA -0.184 nan 4.420 nan 0.000 0.220 331 P C 1.299 178.589 177.300 -0.016 0.000 1.144 331 P CA 1.573 64.695 63.100 0.038 0.000 0.800 331 P CB 0.144 31.893 31.700 0.082 0.000 0.772 332 A N -0.589 122.135 122.820 -0.161 0.000 2.125 332 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 332 A C 2.064 179.462 177.584 -0.311 0.000 1.156 332 A CA 0.888 52.751 52.037 -0.289 0.000 0.671 332 A CB -1.318 17.455 19.000 -0.378 0.000 0.794 332 A HN 0.126 nan 8.150 nan 0.000 0.459 333 L N 0.339 121.266 121.223 -0.494 0.000 2.395 333 L HA -0.046 4.294 4.340 -0.000 0.000 0.218 333 L C 2.679 179.482 176.870 -0.112 0.000 1.130 333 L CA 1.834 56.444 54.840 -0.384 0.000 0.826 333 L CB -0.400 41.354 42.059 -0.508 0.000 0.941 333 L HN 0.548 nan 8.230 nan 0.000 0.451 334 S N -2.600 113.094 115.700 -0.010 0.000 2.481 334 S HA -0.177 4.293 4.470 -0.000 0.000 0.231 334 S C 1.708 176.327 174.600 0.032 0.000 0.996 334 S CA 0.282 58.492 58.200 0.017 0.000 0.942 334 S CB -0.666 62.548 63.200 0.024 0.000 0.768 334 S HN 0.473 nan 8.310 nan 0.000 0.520 335 W N 1.657 122.886 121.300 -0.117 0.000 2.441 335 W HA 0.344 5.004 4.660 -0.000 0.000 0.302 335 W C 2.133 178.598 176.519 -0.090 0.000 1.191 335 W CA 0.184 57.477 57.345 -0.086 0.000 1.327 335 W CB -0.541 28.870 29.460 -0.082 0.000 1.128 335 W HN 0.246 nan 8.180 nan 0.000 0.522 336 L N -0.116 121.178 121.223 0.118 0.000 2.291 336 L HA -0.008 4.332 4.340 -0.000 0.000 0.214 336 L C 1.234 178.098 176.870 -0.011 0.000 1.120 336 L CA 0.605 55.457 54.840 0.021 0.000 0.799 336 L CB -0.523 41.501 42.059 -0.059 0.000 0.925 336 L HN -0.108 nan 8.230 nan 0.000 0.446 337 R N -0.124 120.364 120.500 -0.021 0.000 3.741 337 R HA -0.164 4.176 4.340 -0.000 0.000 0.292 337 R C -0.786 175.496 176.300 -0.031 0.000 1.176 337 R CA 0.713 56.794 56.100 -0.032 0.000 0.794 337 R CB -1.877 28.403 30.300 -0.033 0.000 1.213 337 R HN 0.291 nan 8.270 nan 0.000 0.494 338 L N -1.291 119.910 121.223 -0.038 0.000 2.279 338 L HA 0.770 5.110 4.340 -0.000 0.000 0.262 338 L C 0.418 177.274 176.870 -0.024 0.000 1.019 338 L CA -0.335 54.492 54.840 -0.022 0.000 0.823 338 L CB 2.331 44.378 42.059 -0.021 0.000 1.358 338 L HN 0.272 nan 8.230 nan 0.000 0.432 339 S N -0.256 115.456 115.700 0.021 0.000 2.672 339 S HA 0.951 5.421 4.470 -0.000 0.000 0.271 339 S C -1.164 173.487 174.600 0.085 0.000 1.171 339 S CA -0.365 57.854 58.200 0.031 0.000 0.817 339 S CB 2.084 65.287 63.200 0.005 0.000 1.150 339 S HN 0.926 nan 8.310 nan 0.000 0.478 340 A N -0.058 122.801 122.820 0.066 0.000 2.593 340 A HA 0.903 5.223 4.320 -0.000 0.000 0.290 340 A C -1.374 176.187 177.584 -0.038 0.000 1.126 340 A CA -0.549 51.493 52.037 0.009 0.000 0.695 340 A CB 1.697 20.718 19.000 0.036 0.000 1.290 340 A HN 1.056 nan 8.150 nan 0.000 0.414 341 E N 0.339 120.473 120.200 -0.110 0.000 2.313 341 E HA 0.454 4.804 4.350 -0.000 0.000 0.280 341 E C -2.062 174.458 176.600 -0.134 0.000 0.898 341 E CA -0.431 55.919 56.400 -0.083 0.000 0.803 341 E CB 1.155 30.811 29.700 -0.073 0.000 1.286 341 E HN 0.605 nan 8.360 nan 0.000 0.401 342 F N 3.100 122.889 119.950 -0.269 0.000 2.379 342 F HA 0.752 5.279 4.527 -0.000 0.000 0.332 342 F C -0.051 175.431 175.800 -0.531 0.000 1.096 342 F CA -0.032 57.723 58.000 -0.408 0.000 1.105 342 F CB 1.670 40.525 39.000 -0.242 0.000 1.189 342 F HN 0.422 nan 8.300 nan 0.000 0.515 343 G N 2.695 110.240 108.800 -2.092 0.000 2.732 343 G HA2 0.471 4.431 3.960 -0.000 0.000 0.295 343 G HA3 0.471 4.431 3.960 -0.000 0.000 0.295 343 G C -1.923 172.109 174.900 -1.446 0.000 1.456 343 G CA -0.713 43.343 45.100 -1.739 0.000 1.050 343 G HN 0.765 nan 8.290 nan 0.000 0.525 344 S N 1.552 116.810 115.700 -0.737 0.000 2.519 344 S HA 0.780 5.250 4.470 -0.000 0.000 0.309 344 S C -0.627 173.963 174.600 -0.017 0.000 1.100 344 S CA -0.636 57.393 58.200 -0.286 0.000 1.059 344 S CB 0.439 63.593 63.200 -0.077 0.000 1.008 344 S HN 0.509 nan 8.310 nan 0.000 0.478 345 L N 5.053 126.338 121.223 0.102 0.000 2.438 345 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 345 L C 0.124 177.054 176.870 0.102 0.000 0.972 345 L CA -1.164 53.755 54.840 0.133 0.000 0.831 345 L CB 1.683 43.871 42.059 0.215 0.000 1.273 345 L HN 0.479 nan 8.230 nan 0.000 0.405 346 R N 1.633 122.159 120.500 0.044 0.000 2.784 346 R HA 0.136 4.476 4.340 -0.000 0.000 0.266 346 R C 0.066 176.373 176.300 0.012 0.000 1.044 346 R CA -0.399 55.716 56.100 0.025 0.000 1.151 346 R CB 0.474 30.769 30.300 -0.009 0.000 1.037 346 R HN 0.533 nan 8.270 nan 0.000 0.478 347 K N 1.666 122.072 120.400 0.010 0.000 2.524 347 K HA -0.153 4.167 4.320 -0.000 0.000 0.279 347 K C 0.077 176.655 176.600 -0.037 0.000 0.993 347 K CA 0.764 57.045 56.287 -0.010 0.000 1.030 347 K CB 0.048 32.545 32.500 -0.005 0.000 0.891 347 K HN 0.611 nan 8.250 nan 0.000 0.488 348 N N -0.196 118.469 118.700 -0.059 0.000 2.732 348 N HA -0.299 4.441 4.740 -0.000 0.000 0.250 348 N C -0.469 174.988 175.510 -0.088 0.000 1.097 348 N CA 0.506 53.511 53.050 -0.076 0.000 0.812 348 N CB -0.652 37.798 38.487 -0.061 0.000 1.148 348 N HN 0.643 nan 8.380 nan 0.000 0.572 349 A N 0.414 123.181 122.820 -0.087 0.000 2.250 349 A HA 0.730 5.050 4.320 -0.000 0.000 0.283 349 A C 0.244 177.752 177.584 -0.128 0.000 1.206 349 A CA -0.016 51.961 52.037 -0.100 0.000 0.840 349 A CB 0.679 19.629 19.000 -0.084 0.000 1.220 349 A HN 0.265 nan 8.150 nan 0.000 0.505 350 M N 0.425 119.945 119.600 -0.134 0.000 2.322 350 M HA 0.548 5.028 4.480 -0.000 0.000 0.285 350 M C -1.868 174.330 176.300 -0.170 0.000 1.119 350 M CA -0.686 54.502 55.300 -0.186 0.000 0.953 350 M CB 1.490 33.987 32.600 -0.170 0.000 1.701 350 M HN 0.709 nan 8.290 nan 0.000 0.479 351 F N 4.369 124.163 119.950 -0.260 0.000 2.411 351 F HA 0.634 5.161 4.527 -0.000 0.000 0.350 351 F C -0.003 175.535 175.800 -0.438 0.000 1.114 351 F CA -1.190 56.474 58.000 -0.561 0.000 1.135 351 F CB -0.268 38.242 39.000 -0.816 0.000 1.120 351 F HN 0.390 nan 8.300 nan 0.000 0.495 352 V N 1.255 121.046 119.914 -0.206 0.000 3.209 352 V HA 0.192 4.312 4.120 -0.000 0.000 0.305 352 V C -2.105 174.075 176.094 0.144 0.000 1.127 352 V CA -1.601 60.669 62.300 -0.051 0.000 1.235 352 V CB -0.435 31.357 31.823 -0.052 0.000 0.987 352 V HN 0.798 nan 8.190 nan 0.000 0.499 353 P HA 0.110 nan 4.420 nan 0.000 0.261 353 P C -0.589 176.898 177.300 0.312 0.000 1.183 353 P CA 0.921 64.144 63.100 0.206 0.000 0.761 353 P CB -0.044 31.724 31.700 0.114 0.000 0.785 354 H N 1.733 120.918 119.070 0.191 0.000 2.932 354 H HA 0.506 5.062 4.556 -0.000 0.000 0.307 354 H C -1.536 173.950 175.328 0.263 0.000 1.391 354 H CA -0.925 55.244 56.048 0.200 0.000 1.130 354 H CB 0.846 30.712 29.762 0.174 0.000 1.836 354 H HN 0.503 nan 8.280 nan 0.000 0.522 355 Y N -0.411 119.890 120.300 0.002 0.000 2.534 355 Y HA 0.480 5.030 4.550 0.000 0.000 0.345 355 Y C -1.299 174.618 175.900 0.028 0.000 1.031 355 Y CA -1.142 56.928 58.100 -0.051 0.000 1.022 355 Y CB 1.373 39.847 38.460 0.025 0.000 1.292 355 Y HN 0.525 nan 8.280 nan 0.000 0.459 356 N N 3.323 122.071 118.700 0.080 0.000 2.422 356 N HA 0.146 4.886 4.740 -0.000 0.000 0.264 356 N C 0.263 175.846 175.510 0.122 0.000 1.063 356 N CA -0.165 52.903 53.050 0.031 0.000 0.959 356 N CB 1.946 40.452 38.487 0.032 0.000 1.087 356 N HN 0.760 nan 8.380 nan 0.000 0.483 357 L N 2.690 123.935 121.223 0.038 0.000 2.017 357 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 357 L C 1.410 178.346 176.870 0.111 0.000 1.073 357 L CA 1.497 56.425 54.840 0.146 0.000 0.745 357 L CB -0.285 41.816 42.059 0.070 0.000 0.894 357 L HN 0.642 nan 8.230 nan 0.000 0.432 358 N N -1.206 117.526 118.700 0.053 0.000 2.480 358 N HA 0.493 5.233 4.740 -0.000 0.000 0.281 358 N C -0.538 174.981 175.510 0.016 0.000 1.381 358 N CA 0.369 53.439 53.050 0.033 0.000 0.903 358 N CB 0.736 39.234 38.487 0.019 0.000 1.274 358 N HN 0.098 nan 8.380 nan 0.000 0.505 359 A N -0.188 122.643 122.820 0.017 0.000 2.605 359 A HA 0.501 4.821 4.320 -0.000 0.000 0.294 359 A C -1.264 176.312 177.584 -0.013 0.000 1.062 359 A CA -0.848 51.188 52.037 -0.001 0.000 0.682 359 A CB 0.990 19.990 19.000 -0.001 0.000 1.278 359 A HN 0.138 nan 8.150 nan 0.000 0.410 360 N N 0.440 119.122 118.700 -0.031 0.000 2.445 360 N HA 0.601 5.341 4.740 -0.000 0.000 0.264 360 N C -0.485 175.001 175.510 -0.040 0.000 1.227 360 N CA 0.159 53.172 53.050 -0.062 0.000 0.963 360 N CB 1.364 39.804 38.487 -0.078 0.000 1.188 360 N HN 0.587 nan 8.380 nan 0.000 0.491 361 S N 0.854 116.516 115.700 -0.063 0.000 2.557 361 S HA 0.544 5.014 4.470 -0.000 0.000 0.291 361 S C -0.345 174.231 174.600 -0.039 0.000 1.116 361 S CA -0.592 57.589 58.200 -0.031 0.000 0.992 361 S CB 1.099 64.277 63.200 -0.036 0.000 1.028 361 S HN 0.326 nan 8.310 nan 0.000 0.484 362 I N 2.988 123.580 120.570 0.036 0.000 2.428 362 I HA 0.364 4.534 4.170 -0.000 0.000 0.279 362 I C -0.659 175.505 176.117 0.079 0.000 1.040 362 I CA -0.115 61.219 61.300 0.056 0.000 1.171 362 I CB 0.703 38.814 38.000 0.184 0.000 1.312 362 I HN 0.562 nan 8.210 nan 0.000 0.470 363 I N 5.961 126.540 120.570 0.015 0.000 2.322 363 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 363 I C -0.644 175.539 176.117 0.109 0.000 1.060 363 I CA -0.627 60.696 61.300 0.038 0.000 1.309 363 I CB 0.277 38.281 38.000 0.006 0.000 1.415 363 I HN 0.434 nan 8.210 nan 0.000 0.492 364 Y N 6.852 127.143 120.300 -0.014 0.000 2.341 364 Y HA 0.548 5.098 4.550 -0.000 0.000 0.340 364 Y C 0.212 176.138 175.900 0.044 0.000 0.997 364 Y CA -1.352 56.757 58.100 0.016 0.000 1.149 364 Y CB 1.253 39.730 38.460 0.028 0.000 1.171 364 Y HN 0.610 nan 8.280 nan 0.000 0.494 365 A N 8.236 130.835 122.820 -0.369 0.000 2.539 365 A HA 0.279 4.599 4.320 -0.000 0.000 0.306 365 A C 0.642 177.874 177.584 -0.587 0.000 1.392 365 A CA -0.326 51.500 52.037 -0.352 0.000 1.060 365 A CB -0.674 18.311 19.000 -0.025 0.000 1.134 365 A HN 1.094 nan 8.150 nan 0.000 0.542 366 L N 1.381 122.322 121.223 -0.471 0.000 1.961 366 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 366 L C 1.159 177.950 176.870 -0.132 0.000 1.072 366 L CA 1.365 56.059 54.840 -0.244 0.000 0.749 366 L CB -0.246 41.810 42.059 -0.003 0.000 0.889 366 L HN 0.778 nan 8.230 nan 0.000 0.432 367 N N -1.726 116.892 118.700 -0.138 0.000 2.229 367 N HA 0.504 5.244 4.740 -0.000 0.000 0.298 367 N C -0.242 175.280 175.510 0.019 0.000 1.114 367 N CA 0.496 53.529 53.050 -0.028 0.000 0.776 367 N CB 1.854 40.355 38.487 0.024 0.000 1.501 367 N HN 0.350 nan 8.380 nan 0.000 0.474 368 G N 1.600 110.467 108.800 0.112 0.000 2.542 368 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.235 368 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.235 368 G C -1.004 174.083 174.900 0.311 0.000 1.286 368 G CA 0.081 45.311 45.100 0.216 0.000 0.904 368 G HN 0.869 nan 8.290 nan 0.000 0.577 369 R N -0.646 120.090 120.500 0.392 0.000 2.560 369 R HA 0.651 4.991 4.340 -0.000 0.000 0.267 369 R C -0.088 176.150 176.300 -0.103 0.000 1.150 369 R CA 0.367 56.601 56.100 0.223 0.000 0.997 369 R CB 0.720 31.083 30.300 0.106 0.000 1.250 369 R HN 2.054 nan 8.270 nan 0.000 0.433 370 A N 3.816 126.334 122.820 -0.503 0.000 2.616 370 A HA 0.789 5.109 4.320 -0.000 0.000 0.253 370 A C -1.407 175.949 177.584 -0.379 0.000 1.239 370 A CA -0.900 50.718 52.037 -0.697 0.000 0.914 370 A CB 1.332 19.476 19.000 -1.427 0.000 1.454 370 A HN 0.623 nan 8.150 nan 0.000 0.460 371 L N 0.777 121.780 121.223 -0.366 0.000 2.406 371 L HA 0.591 4.931 4.340 -0.000 0.000 0.270 371 L C -1.635 175.076 176.870 -0.265 0.000 0.982 371 L CA -0.309 54.377 54.840 -0.258 0.000 0.843 371 L CB 0.826 42.754 42.059 -0.219 0.000 1.225 371 L HN 0.616 nan 8.230 nan 0.000 0.412 372 I N 3.722 124.185 120.570 -0.179 0.000 2.525 372 I HA 0.409 4.579 4.170 -0.000 0.000 0.301 372 I C -0.507 175.573 176.117 -0.061 0.000 0.992 372 I CA -0.637 60.614 61.300 -0.082 0.000 1.162 372 I CB 1.995 40.068 38.000 0.121 0.000 1.332 372 I HN 0.561 nan 8.210 nan 0.000 0.458 373 Q N 4.240 124.037 119.800 -0.005 0.000 2.309 373 Q HA 0.531 4.871 4.340 -0.000 0.000 0.270 373 Q C -1.418 174.650 176.000 0.114 0.000 1.023 373 Q CA -0.464 55.350 55.803 0.018 0.000 0.758 373 Q CB 3.288 32.000 28.738 -0.044 0.000 1.247 373 Q HN 0.478 nan 8.270 nan 0.000 0.455 374 V N 3.562 123.591 119.914 0.192 0.000 2.588 374 V HA 0.699 4.819 4.120 -0.000 0.000 0.304 374 V C -1.422 174.744 176.094 0.121 0.000 1.042 374 V CA -0.569 61.834 62.300 0.172 0.000 0.877 374 V CB 1.920 33.876 31.823 0.222 0.000 0.996 374 V HN 0.534 nan 8.190 nan 0.000 0.425 375 V N 7.645 127.586 119.914 0.045 0.000 2.604 375 V HA 0.690 4.810 4.120 -0.000 0.000 0.305 375 V C -0.232 175.738 176.094 -0.206 0.000 1.043 375 V CA -0.377 61.891 62.300 -0.053 0.000 0.888 375 V CB 2.083 33.882 31.823 -0.041 0.000 0.995 375 V HN 1.166 nan 8.190 nan 0.000 0.429 376 N N 4.462 122.943 118.700 -0.365 0.000 2.593 376 N HA 0.201 4.940 4.740 -0.000 0.000 0.304 376 N C 1.224 176.449 175.510 -0.475 0.000 1.296 376 N CA 0.204 52.802 53.050 -0.753 0.000 0.950 376 N CB 0.041 38.029 38.487 -0.831 0.000 1.127 376 N HN 0.841 nan 8.380 nan 0.000 0.587 377 C N -2.347 116.672 119.300 -0.469 0.000 2.472 377 C HA 0.193 4.653 4.460 -0.000 0.000 0.278 377 C C 1.293 176.181 174.990 -0.170 0.000 1.447 377 C CA 0.059 58.924 59.018 -0.255 0.000 1.773 377 C CB -1.942 25.688 27.740 -0.182 0.000 1.793 377 C HN 0.691 nan 8.230 nan 0.000 0.544 378 N N 0.538 119.136 118.700 -0.169 0.000 2.409 378 N HA 0.358 5.098 4.740 -0.000 0.000 0.174 378 N C 1.462 176.917 175.510 -0.093 0.000 1.037 378 N CA 0.982 53.967 53.050 -0.108 0.000 0.898 378 N CB 0.079 38.513 38.487 -0.089 0.000 1.010 378 N HN 0.683 nan 8.380 nan 0.000 0.445 379 G N 0.565 109.299 108.800 -0.110 0.000 2.205 379 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.180 379 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.180 379 G C -0.557 174.302 174.900 -0.069 0.000 1.004 379 G CA -0.577 44.475 45.100 -0.079 0.000 0.670 379 G HN 0.253 nan 8.290 nan 0.000 0.496 380 E N 0.571 120.723 120.200 -0.080 0.000 2.290 380 E HA 0.367 4.717 4.350 -0.000 0.000 0.277 380 E C 0.526 177.097 176.600 -0.048 0.000 1.035 380 E CA -0.515 55.852 56.400 -0.055 0.000 0.873 380 E CB 0.925 30.596 29.700 -0.049 0.000 1.029 380 E HN 0.280 nan 8.360 nan 0.000 0.419 381 R N 3.519 124.005 120.500 -0.022 0.000 2.893 381 R HA 0.012 4.352 4.340 -0.000 0.000 0.243 381 R C 0.762 177.085 176.300 0.038 0.000 1.481 381 R CA -0.177 55.923 56.100 -0.000 0.000 1.250 381 R CB -0.167 30.125 30.300 -0.014 0.000 1.213 381 R HN 0.511 nan 8.270 nan 0.000 0.609 382 V N 1.566 121.521 119.914 0.068 0.000 3.383 382 V HA 0.084 4.204 4.120 -0.000 0.000 0.272 382 V C 0.235 176.470 176.094 0.235 0.000 1.181 382 V CA 0.623 62.998 62.300 0.126 0.000 1.171 382 V CB -1.143 30.767 31.823 0.145 0.000 0.800 382 V HN 0.476 nan 8.190 nan 0.000 0.515 383 F N 0.395 120.359 119.950 0.023 0.000 2.622 383 F HA 0.673 5.200 4.527 -0.000 0.000 0.318 383 F C -1.827 173.970 175.800 -0.005 0.000 1.135 383 F CA -1.231 56.778 58.000 0.015 0.000 1.015 383 F CB 1.862 40.877 39.000 0.024 0.000 1.275 383 F HN 0.008 nan 8.300 nan 0.000 0.457 384 D N 3.679 123.738 120.400 -0.567 0.000 2.764 384 D HA 0.614 5.254 4.640 -0.000 0.000 0.227 384 D C -0.340 175.552 176.300 -0.680 0.000 1.347 384 D CA 0.805 54.496 54.000 -0.515 0.000 0.953 384 D CB 1.693 42.353 40.800 -0.233 0.000 1.476 384 D HN 1.099 nan 8.370 nan 0.000 0.585 385 G N 2.895 111.282 108.800 -0.688 0.000 2.332 385 G HA2 0.297 4.257 3.960 -0.000 0.000 0.265 385 G HA3 0.297 4.257 3.960 -0.000 0.000 0.265 385 G C -1.621 173.052 174.900 -0.379 0.000 1.329 385 G CA -0.348 44.459 45.100 -0.489 0.000 0.949 385 G HN 0.549 nan 8.290 nan 0.000 0.476 386 E N -0.555 119.543 120.200 -0.169 0.000 2.210 386 E HA 0.626 4.976 4.350 -0.000 0.000 0.266 386 E C -1.271 175.413 176.600 0.140 0.000 0.883 386 E CA -0.993 55.388 56.400 -0.032 0.000 0.761 386 E CB 2.675 32.349 29.700 -0.045 0.000 1.156 386 E HN 0.608 nan 8.360 nan 0.000 0.412 387 L N 3.450 124.782 121.223 0.182 0.000 2.260 387 L HA 0.200 4.540 4.340 -0.000 0.000 0.289 387 L C -0.406 176.595 176.870 0.218 0.000 1.057 387 L CA 0.251 55.238 54.840 0.244 0.000 0.811 387 L CB 0.688 42.908 42.059 0.268 0.000 1.184 387 L HN 0.687 nan 8.230 nan 0.000 0.429 388 Q N 2.461 122.379 119.800 0.197 0.000 2.252 388 Q HA 0.521 4.861 4.340 -0.000 0.000 0.256 388 Q C -0.670 175.425 176.000 0.158 0.000 1.020 388 Q CA -0.949 54.963 55.803 0.183 0.000 0.913 388 Q CB 0.869 29.686 28.738 0.132 0.000 1.286 388 Q HN 0.548 nan 8.270 nan 0.000 0.480 389 E N 0.065 120.337 120.200 0.120 0.000 2.653 389 E HA 0.049 4.399 4.350 -0.000 0.000 0.264 389 E C 0.437 177.081 176.600 0.073 0.000 0.949 389 E CA 1.236 57.664 56.400 0.047 0.000 0.953 389 E CB -0.087 29.648 29.700 0.059 0.000 0.925 389 E HN 0.884 nan 8.360 nan 0.000 0.475 390 G N 2.544 111.340 108.800 -0.006 0.000 2.225 390 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.267 390 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.267 390 G C 0.101 175.258 174.900 0.427 0.000 1.024 390 G CA 0.763 46.006 45.100 0.238 0.000 0.784 390 G HN 0.457 nan 8.290 nan 0.000 0.507 391 R N -1.463 119.205 120.500 0.279 0.000 2.803 391 R HA 0.741 5.081 4.340 -0.000 0.000 0.276 391 R C -1.016 175.466 176.300 0.304 0.000 0.978 391 R CA -0.684 55.647 56.100 0.384 0.000 0.939 391 R CB 2.413 32.873 30.300 0.268 0.000 1.179 391 R HN 0.337 nan 8.270 nan 0.000 0.472 392 V N 4.966 125.049 119.914 0.281 0.000 2.531 392 V HA 0.480 4.600 4.120 -0.000 0.000 0.301 392 V C -1.550 174.528 176.094 -0.027 0.000 1.034 392 V CA -0.845 61.504 62.300 0.082 0.000 0.865 392 V CB 1.725 33.450 31.823 -0.165 0.000 0.995 392 V HN 0.623 nan 8.190 nan 0.000 0.424 393 L N 8.068 129.241 121.223 -0.083 0.000 2.287 393 L HA 0.667 5.007 4.340 -0.000 0.000 0.287 393 L C -0.574 176.154 176.870 -0.237 0.000 1.022 393 L CA 0.264 54.967 54.840 -0.228 0.000 0.814 393 L CB 1.253 43.175 42.059 -0.228 0.000 1.217 393 L HN 0.615 nan 8.230 nan 0.000 0.420 394 I N 5.584 125.953 120.570 -0.335 0.000 2.365 394 I HA 0.377 4.547 4.170 -0.000 0.000 0.291 394 I C -0.651 175.299 176.117 -0.279 0.000 1.004 394 I CA -0.585 60.512 61.300 -0.338 0.000 1.311 394 I CB 1.607 39.315 38.000 -0.487 0.000 1.401 394 I HN 0.328 nan 8.210 nan 0.000 0.491 395 V N 8.388 128.169 119.914 -0.222 0.000 2.398 395 V HA 0.262 4.382 4.120 -0.000 0.000 0.282 395 V C -2.053 173.893 176.094 -0.247 0.000 1.014 395 V CA -1.540 60.648 62.300 -0.187 0.000 0.838 395 V CB 1.271 33.046 31.823 -0.079 0.000 1.018 395 V HN 0.575 nan 8.190 nan 0.000 0.432 396 P HA -0.049 nan 4.420 nan 0.000 0.279 396 P C 0.945 178.063 177.300 -0.304 0.000 1.278 396 P CA 0.307 63.060 63.100 -0.578 0.000 0.846 396 P CB 0.696 31.631 31.700 -1.275 0.000 1.218 397 Q N -0.291 119.391 119.800 -0.196 0.000 1.946 397 Q HA -0.084 4.256 4.340 -0.000 0.000 0.199 397 Q C 1.141 177.223 176.000 0.135 0.000 0.979 397 Q CA 1.538 57.337 55.803 -0.005 0.000 0.834 397 Q CB -0.297 28.448 28.738 0.012 0.000 0.899 397 Q HN 0.385 nan 8.270 nan 0.000 0.431 398 N N -0.559 118.279 118.700 0.230 0.000 2.268 398 N HA 0.090 4.830 4.740 -0.000 0.000 0.204 398 N C -0.827 174.823 175.510 0.234 0.000 1.124 398 N CA -0.533 52.648 53.050 0.220 0.000 0.838 398 N CB 0.392 38.923 38.487 0.073 0.000 0.994 398 N HN 0.027 nan 8.380 nan 0.000 0.489 399 F N 1.348 121.292 119.950 -0.010 0.000 2.545 399 F HA 0.055 4.582 4.527 -0.000 0.000 0.348 399 F C 0.850 176.653 175.800 0.004 0.000 1.163 399 F CA -0.576 57.414 58.000 -0.017 0.000 1.331 399 F CB 0.365 39.354 39.000 -0.019 0.000 1.138 399 F HN -0.302 nan 8.300 nan 0.000 0.602 400 V N 3.365 123.363 119.914 0.139 0.000 2.435 400 V HA 0.595 4.715 4.120 -0.000 0.000 0.290 400 V C -0.488 175.658 176.094 0.088 0.000 1.030 400 V CA -0.871 61.490 62.300 0.101 0.000 0.881 400 V CB 1.606 33.473 31.823 0.072 0.000 0.983 400 V HN 0.572 nan 8.190 nan 0.000 0.445 401 V N 1.587 121.529 119.914 0.046 0.000 2.680 401 V HA 1.038 5.158 4.120 -0.000 0.000 0.309 401 V C -0.101 176.136 176.094 0.239 0.000 1.052 401 V CA -0.817 61.562 62.300 0.131 0.000 0.908 401 V CB 1.431 33.367 31.823 0.190 0.000 1.001 401 V HN 1.096 nan 8.190 nan 0.000 0.431 402 A N 2.702 125.596 122.820 0.125 0.000 2.475 402 A HA 1.065 5.385 4.320 -0.000 0.000 0.301 402 A C -0.341 177.060 177.584 -0.304 0.000 1.059 402 A CA -0.237 51.793 52.037 -0.012 0.000 0.710 402 A CB 1.927 20.905 19.000 -0.037 0.000 1.288 402 A HN 2.398 nan 8.150 nan 0.000 0.408 403 A N 1.459 123.845 122.820 -0.722 0.000 2.488 403 A HA 0.767 5.087 4.320 -0.000 0.000 0.298 403 A C -0.638 176.548 177.584 -0.663 0.000 1.044 403 A CA -0.549 51.003 52.037 -0.808 0.000 0.693 403 A CB 1.230 19.469 19.000 -1.268 0.000 1.272 403 A HN 0.937 nan 8.150 nan 0.000 0.402 404 R N 1.925 122.150 120.500 -0.457 0.000 2.295 404 R HA 0.514 4.854 4.340 -0.000 0.000 0.324 404 R C -0.264 175.821 176.300 -0.359 0.000 0.968 404 R CA -0.110 55.788 56.100 -0.337 0.000 0.837 404 R CB 1.288 31.445 30.300 -0.238 0.000 1.133 404 R HN 0.788 nan 8.270 nan 0.000 0.450 405 S N 2.724 118.248 115.700 -0.293 0.000 2.533 405 S HA 0.014 4.484 4.470 -0.000 0.000 0.282 405 S C 0.567 175.066 174.600 -0.169 0.000 1.304 405 S CA 0.071 58.117 58.200 -0.256 0.000 1.063 405 S CB 1.045 64.204 63.200 -0.068 0.000 0.881 405 S HN 0.793 nan 8.310 nan 0.000 0.493 406 Q N 2.428 122.132 119.800 -0.159 0.000 2.247 406 Q HA 0.286 4.626 4.340 -0.000 0.000 0.211 406 Q C -0.280 175.708 176.000 -0.020 0.000 0.861 406 Q CA -0.082 55.669 55.803 -0.087 0.000 0.949 406 Q CB 0.764 29.445 28.738 -0.095 0.000 1.115 406 Q HN 0.577 nan 8.270 nan 0.000 0.507 407 S N -0.154 115.562 115.700 0.027 0.000 2.632 407 S HA 0.249 4.719 4.470 -0.000 0.000 0.289 407 S C -1.254 173.392 174.600 0.077 0.000 1.115 407 S CA -0.736 57.504 58.200 0.066 0.000 0.889 407 S CB 1.494 64.762 63.200 0.114 0.000 1.116 407 S HN 0.078 nan 8.310 nan 0.000 0.486 408 D N 2.623 123.063 120.400 0.065 0.000 2.402 408 D HA 0.221 4.861 4.640 -0.000 0.000 0.235 408 D C -0.837 175.514 176.300 0.085 0.000 1.226 408 D CA 0.325 54.364 54.000 0.064 0.000 0.918 408 D CB -0.272 40.556 40.800 0.047 0.000 1.043 408 D HN 0.511 nan 8.370 nan 0.000 0.506 409 N N 1.669 120.432 118.700 0.105 0.000 2.371 409 N HA -0.248 4.492 4.740 -0.000 0.000 0.286 409 N C -0.779 174.825 175.510 0.156 0.000 1.438 409 N CA 0.193 53.319 53.050 0.126 0.000 0.640 409 N CB -1.135 37.410 38.487 0.098 0.000 0.914 409 N HN 0.390 nan 8.380 nan 0.000 0.495 410 F N 2.578 122.553 119.950 0.041 0.000 2.467 410 F HA 0.302 4.829 4.527 0.000 0.000 0.362 410 F C 0.482 176.315 175.800 0.054 0.000 1.090 410 F CA -0.136 57.900 58.000 0.060 0.000 1.202 410 F CB 0.605 39.644 39.000 0.065 0.000 1.113 410 F HN 0.224 nan 8.300 nan 0.000 0.541 411 E N 6.980 126.865 120.200 -0.525 0.000 2.222 411 E HA 0.292 4.642 4.350 -0.000 0.000 0.267 411 E C -1.669 174.574 176.600 -0.595 0.000 0.884 411 E CA -0.745 55.392 56.400 -0.438 0.000 0.764 411 E CB 2.439 32.127 29.700 -0.021 0.000 1.169 411 E HN 0.667 nan 8.360 nan 0.000 0.413 412 Y N -1.617 118.373 120.300 -0.516 0.000 2.571 412 Y HA 0.592 5.142 4.550 0.000 0.000 0.341 412 Y C -1.156 174.588 175.900 -0.261 0.000 1.076 412 Y CA -1.372 56.489 58.100 -0.397 0.000 1.029 412 Y CB 0.764 39.013 38.460 -0.351 0.000 1.308 412 Y HN 0.191 nan 8.280 nan 0.000 0.461 413 V N -0.086 119.770 119.914 -0.097 0.000 2.495 413 V HA 0.729 4.849 4.120 -0.000 0.000 0.298 413 V C -0.359 175.548 176.094 -0.312 0.000 1.031 413 V CA -0.774 61.301 62.300 -0.374 0.000 0.871 413 V CB 1.241 32.531 31.823 -0.889 0.000 0.988 413 V HN 0.848 nan 8.190 nan 0.000 0.432 414 S N 4.126 119.668 115.700 -0.264 0.000 2.498 414 S HA 0.701 5.170 4.470 -0.000 0.000 0.324 414 S C -0.815 173.618 174.600 -0.278 0.000 1.071 414 S CA -0.365 57.735 58.200 -0.167 0.000 1.113 414 S CB 0.005 63.215 63.200 0.016 0.000 0.976 414 S HN 0.521 nan 8.310 nan 0.000 0.462 415 F N 4.446 124.393 119.950 -0.006 0.000 2.413 415 F HA 0.414 4.941 4.527 -0.000 0.000 0.359 415 F C 1.010 176.794 175.800 -0.027 0.000 1.122 415 F CA -0.702 57.285 58.000 -0.022 0.000 1.160 415 F CB 0.625 39.607 39.000 -0.030 0.000 1.146 415 F HN 0.156 nan 8.300 nan 0.000 0.514 416 K N 1.169 121.646 120.400 0.128 0.000 2.087 416 K HA 0.386 4.706 4.320 -0.000 0.000 0.255 416 K C 0.235 176.868 176.600 0.056 0.000 0.988 416 K CA -0.451 55.872 56.287 0.060 0.000 0.915 416 K CB 1.304 33.818 32.500 0.022 0.000 1.043 416 K HN 0.564 nan 8.250 nan 0.000 0.457 417 T N -0.334 114.234 114.554 0.022 0.000 3.400 417 T HA 0.340 4.690 4.350 -0.000 0.000 0.362 417 T C -0.242 174.455 174.700 -0.005 0.000 1.823 417 T CA -0.764 61.339 62.100 0.005 0.000 1.374 417 T CB -0.558 68.305 68.868 -0.008 0.000 1.130 417 T HN 0.465 nan 8.240 nan 0.000 0.744 418 N N 1.765 120.462 118.700 -0.005 0.000 4.711 418 N HA 0.012 4.752 4.740 -0.000 0.000 0.175 418 N C -0.089 175.410 175.510 -0.017 0.000 1.031 418 N CA -0.332 52.710 53.050 -0.013 0.000 1.143 418 N CB 1.535 40.016 38.487 -0.012 0.000 1.585 418 N HN 0.493 nan 8.380 nan 0.000 0.817 419 D N 0.439 120.823 120.400 -0.027 0.000 2.219 419 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 419 D C 0.154 176.436 176.300 -0.030 0.000 0.970 419 D CA 1.077 55.055 54.000 -0.037 0.000 0.851 419 D CB 0.020 40.792 40.800 -0.046 0.000 0.943 419 D HN 0.506 nan 8.370 nan 0.000 0.488 420 T N -0.476 114.063 114.554 -0.025 0.000 3.327 420 T HA 0.373 4.723 4.350 -0.000 0.000 0.373 420 T C -2.770 171.917 174.700 -0.022 0.000 1.589 420 T CA -1.606 60.480 62.100 -0.023 0.000 1.497 420 T CB 1.583 70.439 68.868 -0.021 0.000 1.032 420 T HN -0.059 nan 8.240 nan 0.000 0.640 421 P HA 0.403 nan 4.420 nan 0.000 0.279 421 P C -0.638 176.641 177.300 -0.034 0.000 1.239 421 P CA -0.546 62.539 63.100 -0.024 0.000 0.789 421 P CB 0.992 32.679 31.700 -0.022 0.000 0.933 422 M N 3.678 123.257 119.600 -0.034 0.000 2.294 422 M HA 0.483 4.963 4.480 -0.000 0.000 0.335 422 M C 0.404 176.657 176.300 -0.078 0.000 1.079 422 M CA -0.886 54.384 55.300 -0.051 0.000 0.982 422 M CB 1.605 34.180 32.600 -0.041 0.000 1.651 422 M HN 0.291 nan 8.290 nan 0.000 0.437 423 I N -0.862 119.650 120.570 -0.097 0.000 2.648 423 I HA 0.968 5.138 4.170 -0.000 0.000 0.304 423 I C -0.056 175.937 176.117 -0.208 0.000 1.009 423 I CA -0.727 60.499 61.300 -0.123 0.000 1.114 423 I CB 2.024 40.019 38.000 -0.007 0.000 1.293 423 I HN 0.704 nan 8.210 nan 0.000 0.449 424 G N 2.529 111.069 108.800 -0.433 0.000 2.866 424 G HA2 0.418 4.378 3.960 -0.000 0.000 0.318 424 G HA3 0.418 4.378 3.960 -0.000 0.000 0.318 424 G C -0.506 174.258 174.900 -0.227 0.000 1.336 424 G CA -0.360 44.419 45.100 -0.535 0.000 1.067 424 G HN 0.747 nan 8.290 nan 0.000 0.515 425 T N 2.026 116.591 114.554 0.017 0.000 2.907 425 T HA 0.232 4.582 4.350 -0.000 0.000 0.298 425 T C 1.111 175.911 174.700 0.166 0.000 1.017 425 T CA -0.485 61.712 62.100 0.162 0.000 1.118 425 T CB 0.562 69.521 68.868 0.151 0.000 0.948 425 T HN 0.139 nan 8.240 nan 0.000 0.531 426 L N 3.457 124.798 121.223 0.196 0.000 2.585 426 L HA 0.485 4.825 4.340 -0.000 0.000 0.226 426 L C 0.911 177.840 176.870 0.100 0.000 1.113 426 L CA 0.392 55.332 54.840 0.168 0.000 0.876 426 L CB -0.674 41.493 42.059 0.181 0.000 1.072 426 L HN 0.810 nan 8.230 nan 0.000 0.468 427 A N -1.301 121.568 122.820 0.081 0.000 2.456 427 A HA 0.701 5.021 4.320 -0.000 0.000 0.288 427 A C -0.064 177.551 177.584 0.051 0.000 1.042 427 A CA 0.222 52.284 52.037 0.042 0.000 0.738 427 A CB 1.195 20.207 19.000 0.021 0.000 1.266 427 A HN 0.285 nan 8.150 nan 0.000 0.407 428 G N -0.359 108.467 108.800 0.043 0.000 2.359 428 G HA2 0.578 4.538 3.960 -0.000 0.000 0.293 428 G HA3 0.578 4.538 3.960 -0.000 0.000 0.293 428 G C 0.667 175.589 174.900 0.037 0.000 1.300 428 G CA 0.293 45.426 45.100 0.055 0.000 0.888 428 G HN 1.847 nan 8.290 nan 0.000 0.541 429 A N 0.030 122.873 122.820 0.039 0.000 1.908 429 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 429 A C 1.994 179.593 177.584 0.026 0.000 1.181 429 A CA 2.582 54.630 52.037 0.017 0.000 0.627 429 A CB -0.581 18.431 19.000 0.020 0.000 0.818 429 A HN 1.369 nan 8.150 nan 0.000 0.445 430 N N 0.397 119.123 118.700 0.043 0.000 2.353 430 N HA -0.008 4.732 4.740 -0.000 0.000 0.185 430 N C 0.647 176.186 175.510 0.047 0.000 1.098 430 N CA 0.744 53.819 53.050 0.042 0.000 0.872 430 N CB -0.846 37.668 38.487 0.046 0.000 0.970 430 N HN 0.447 nan 8.380 nan 0.000 0.467 431 S N 0.371 116.104 115.700 0.056 0.000 2.563 431 S HA 0.003 4.473 4.470 -0.000 0.000 0.269 431 S C 1.374 176.018 174.600 0.072 0.000 1.364 431 S CA -0.495 57.746 58.200 0.069 0.000 1.010 431 S CB 0.556 63.797 63.200 0.068 0.000 0.877 431 S HN -0.000 nan 8.310 nan 0.000 0.549 432 L N 1.136 122.417 121.223 0.098 0.000 2.046 432 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 432 L C 2.493 179.430 176.870 0.111 0.000 1.077 432 L CA 1.352 56.260 54.840 0.113 0.000 0.747 432 L CB -1.361 40.795 42.059 0.163 0.000 0.896 432 L HN 0.715 nan 8.230 nan 0.000 0.432 433 L N -0.706 120.587 121.223 0.116 0.000 2.042 433 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 433 L C 2.300 179.218 176.870 0.080 0.000 1.076 433 L CA 1.556 56.466 54.840 0.117 0.000 0.749 433 L CB -0.902 41.205 42.059 0.079 0.000 0.893 433 L HN 0.500 nan 8.230 nan 0.000 0.432 434 N N 0.121 118.854 118.700 0.056 0.000 2.137 434 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 434 N C 1.626 177.162 175.510 0.044 0.000 1.017 434 N CA 1.396 54.470 53.050 0.040 0.000 0.859 434 N CB 0.053 38.558 38.487 0.030 0.000 1.002 434 N HN 0.315 nan 8.380 nan 0.000 0.428 435 A N 0.737 123.589 122.820 0.052 0.000 2.208 435 A HA 0.145 4.465 4.320 -0.000 0.000 0.209 435 A C 0.832 178.448 177.584 0.052 0.000 1.161 435 A CA 0.027 52.093 52.037 0.048 0.000 0.782 435 A CB 0.006 19.035 19.000 0.048 0.000 0.816 435 A HN 0.130 nan 8.150 nan 0.000 0.477 436 L N 1.188 122.451 121.223 0.067 0.000 2.319 436 L HA 0.259 4.599 4.340 -0.000 0.000 0.280 436 L C -2.348 174.560 176.870 0.063 0.000 1.099 436 L CA -2.105 52.778 54.840 0.072 0.000 0.828 436 L CB 0.883 43.003 42.059 0.103 0.000 1.150 436 L HN 0.009 nan 8.230 nan 0.000 0.442 437 P HA -0.082 nan 4.420 nan 0.000 0.265 437 P C 0.548 177.880 177.300 0.055 0.000 1.187 437 P CA 0.187 63.315 63.100 0.047 0.000 0.766 437 P CB 0.565 32.291 31.700 0.044 0.000 0.820 438 E N 2.015 122.241 120.200 0.042 0.000 2.147 438 E HA -0.310 4.040 4.350 -0.000 0.000 0.199 438 E C 1.544 178.167 176.600 0.038 0.000 1.005 438 E CA 1.454 57.876 56.400 0.037 0.000 0.810 438 E CB 0.092 29.805 29.700 0.021 0.000 0.736 438 E HN 0.543 nan 8.360 nan 0.000 0.460 439 E N -0.376 119.852 120.200 0.046 0.000 2.047 439 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 439 E C 2.224 178.889 176.600 0.108 0.000 0.987 439 E CA 1.537 57.975 56.400 0.063 0.000 0.799 439 E CB 0.068 29.819 29.700 0.086 0.000 0.752 439 E HN 0.285 nan 8.360 nan 0.000 0.449 440 V N -0.173 119.806 119.914 0.108 0.000 2.515 440 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 440 V C 2.182 178.338 176.094 0.103 0.000 1.058 440 V CA 1.687 64.057 62.300 0.116 0.000 1.064 440 V CB -0.499 31.366 31.823 0.069 0.000 0.675 440 V HN 0.369 nan 8.190 nan 0.000 0.461 441 I N -0.195 120.445 120.570 0.116 0.000 2.830 441 I HA -0.158 4.012 4.170 -0.000 0.000 0.263 441 I C 2.519 178.759 176.117 0.204 0.000 1.230 441 I CA 1.146 62.572 61.300 0.211 0.000 1.480 441 I CB 0.001 38.133 38.000 0.220 0.000 1.095 441 I HN 0.424 nan 8.210 nan 0.000 0.455 442 Q N -0.268 119.563 119.800 0.051 0.000 2.046 442 Q HA -0.224 4.116 4.340 -0.000 0.000 0.200 442 Q C 1.838 177.755 176.000 -0.139 0.000 0.975 442 Q CA 1.879 57.636 55.803 -0.078 0.000 0.836 442 Q CB -0.142 28.447 28.738 -0.248 0.000 0.896 442 Q HN 0.637 nan 8.270 nan 0.000 0.428 443 H N -0.977 118.111 119.070 0.030 0.000 2.470 443 H HA -0.036 4.520 4.556 -0.000 0.000 0.289 443 H C 2.281 177.568 175.328 -0.067 0.000 1.033 443 H CA 1.557 57.599 56.048 -0.010 0.000 1.331 443 H CB 0.291 30.042 29.762 -0.018 0.000 1.414 443 H HN 0.348 nan 8.280 nan 0.000 0.545 444 T N -2.079 112.445 114.554 -0.050 0.000 2.937 444 T HA -0.078 4.272 4.350 -0.000 0.000 0.260 444 T C 1.317 175.771 174.700 -0.411 0.000 1.051 444 T CA 0.698 62.620 62.100 -0.296 0.000 1.141 444 T CB -0.217 68.337 68.868 -0.523 0.000 0.879 444 T HN 0.143 nan 8.240 nan 0.000 0.459 445 F N 1.664 121.621 119.950 0.012 0.000 2.749 445 F HA 0.403 4.930 4.527 -0.000 0.000 0.300 445 F C 0.842 176.636 175.800 -0.010 0.000 1.103 445 F CA -0.963 57.036 58.000 -0.001 0.000 1.342 445 F CB -0.885 38.110 39.000 -0.007 0.000 1.098 445 F HN 0.161 nan 8.300 nan 0.000 0.586 446 N N 1.518 120.285 118.700 0.112 0.000 2.610 446 N HA -0.191 4.549 4.740 -0.000 0.000 0.271 446 N C -1.439 174.098 175.510 0.045 0.000 1.146 446 N CA 0.254 53.336 53.050 0.055 0.000 0.711 446 N CB -0.944 37.575 38.487 0.053 0.000 0.883 446 N HN 0.264 nan 8.380 nan 0.000 0.548 447 L N 0.565 121.795 121.223 0.012 0.000 2.376 447 L HA 0.529 4.869 4.340 -0.000 0.000 0.258 447 L C 0.492 177.332 176.870 -0.051 0.000 1.013 447 L CA -1.175 53.664 54.840 -0.003 0.000 0.822 447 L CB 1.779 43.849 42.059 0.019 0.000 1.388 447 L HN 0.074 nan 8.230 nan 0.000 0.413 448 K N -0.023 120.355 120.400 -0.036 0.000 2.126 448 K HA 0.171 4.491 4.320 -0.000 0.000 0.257 448 K C 0.915 177.491 176.600 -0.039 0.000 1.007 448 K CA -0.206 56.056 56.287 -0.042 0.000 0.928 448 K CB 1.434 33.919 32.500 -0.026 0.000 1.013 448 K HN 0.638 nan 8.250 nan 0.000 0.473 449 S N 0.894 116.571 115.700 -0.038 0.000 2.372 449 S HA -0.245 4.225 4.470 -0.000 0.000 0.227 449 S C 1.804 176.393 174.600 -0.019 0.000 1.044 449 S CA 1.771 59.955 58.200 -0.027 0.000 1.050 449 S CB -0.059 63.130 63.200 -0.018 0.000 0.901 449 S HN 0.648 nan 8.310 nan 0.000 0.447 450 Q N 0.178 119.967 119.800 -0.019 0.000 2.297 450 Q HA -0.031 4.309 4.340 -0.000 0.000 0.204 450 Q C 1.964 177.951 176.000 -0.021 0.000 0.962 450 Q CA 1.284 57.076 55.803 -0.018 0.000 0.879 450 Q CB -0.280 28.449 28.738 -0.016 0.000 0.947 450 Q HN 0.728 nan 8.270 nan 0.000 0.462 451 Q N -0.836 118.950 119.800 -0.023 0.000 2.331 451 Q HA 0.055 4.395 4.340 -0.000 0.000 0.203 451 Q C 1.855 177.835 176.000 -0.032 0.000 0.944 451 Q CA 0.730 56.516 55.803 -0.029 0.000 0.892 451 Q CB 0.172 28.895 28.738 -0.027 0.000 0.983 451 Q HN 0.427 nan 8.270 nan 0.000 0.482 452 A N 1.187 123.993 122.820 -0.022 0.000 1.897 452 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 452 A C 1.939 179.510 177.584 -0.021 0.000 1.181 452 A CA 0.947 52.975 52.037 -0.015 0.000 0.620 452 A CB -0.284 18.719 19.000 0.004 0.000 0.821 452 A HN 0.181 nan 8.150 nan 0.000 0.443 453 R N -0.512 119.977 120.500 -0.018 0.000 2.127 453 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 453 R C 2.425 178.708 176.300 -0.029 0.000 1.134 453 R CA 1.617 57.705 56.100 -0.020 0.000 0.975 453 R CB -0.300 29.989 30.300 -0.018 0.000 0.865 453 R HN 0.678 nan 8.270 nan 0.000 0.447 454 Q N 0.272 120.051 119.800 -0.035 0.000 2.084 454 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 454 Q C 2.176 178.145 176.000 -0.052 0.000 0.978 454 Q CA 1.386 57.164 55.803 -0.042 0.000 0.844 454 Q CB -0.066 28.646 28.738 -0.043 0.000 0.898 454 Q HN 0.406 nan 8.270 nan 0.000 0.426 455 I N 0.616 121.147 120.570 -0.065 0.000 2.179 455 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 455 I C 2.281 178.365 176.117 -0.055 0.000 1.088 455 I CA 1.154 62.404 61.300 -0.083 0.000 1.357 455 I CB -0.309 37.611 38.000 -0.133 0.000 1.051 455 I HN 0.115 nan 8.210 nan 0.000 0.409 456 K N 0.520 120.898 120.400 -0.037 0.000 2.152 456 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 456 K C 1.430 178.012 176.600 -0.029 0.000 1.048 456 K CA 1.324 57.598 56.287 -0.021 0.000 0.933 456 K CB -0.075 32.419 32.500 -0.010 0.000 0.721 456 K HN 0.405 nan 8.250 nan 0.000 0.447 457 N N -0.462 118.215 118.700 -0.038 0.000 2.382 457 N HA 0.003 4.743 4.740 -0.000 0.000 0.200 457 N C 1.102 176.575 175.510 -0.061 0.000 1.122 457 N CA 0.123 53.144 53.050 -0.048 0.000 0.870 457 N CB -0.037 38.425 38.487 -0.042 0.000 1.176 457 N HN 0.049 nan 8.380 nan 0.000 0.474 458 N N 1.819 120.488 118.700 -0.053 0.000 2.011 458 N HA -0.151 4.589 4.740 -0.000 0.000 0.199 458 N C 0.648 176.120 175.510 -0.063 0.000 1.047 458 N CA 1.134 54.153 53.050 -0.052 0.000 0.863 458 N CB -0.805 37.658 38.487 -0.040 0.000 1.056 458 N HN 0.233 nan 8.380 nan 0.000 0.427 459 N N 1.518 120.191 118.700 -0.046 0.000 2.405 459 N HA 0.072 4.811 4.740 -0.000 0.000 0.260 459 N C -2.048 173.398 175.510 -0.106 0.000 1.152 459 N CA -1.431 51.600 53.050 -0.032 0.000 0.948 459 N CB 0.970 39.470 38.487 0.022 0.000 1.111 459 N HN 0.162 nan 8.380 nan 0.000 0.485 460 P HA 0.153 nan 4.420 nan 0.000 0.267 460 P C -0.560 176.521 177.300 -0.365 0.000 1.289 460 P CA 0.011 62.881 63.100 -0.384 0.000 0.866 460 P CB 0.164 31.550 31.700 -0.523 0.000 1.309 461 F N 1.102 121.051 119.950 -0.001 0.000 2.375 461 F HA 0.396 4.923 4.527 -0.000 0.000 0.333 461 F C 1.264 177.080 175.800 0.027 0.000 1.104 461 F CA -0.847 57.158 58.000 0.007 0.000 1.149 461 F CB 0.687 39.684 39.000 -0.005 0.000 1.190 461 F HN -0.368 nan 8.300 nan 0.000 0.533 462 K N 3.430 123.983 120.400 0.255 0.000 2.262 462 K HA 0.168 4.488 4.320 -0.000 0.000 0.282 462 K C 0.420 177.176 176.600 0.260 0.000 1.066 462 K CA -0.269 56.135 56.287 0.195 0.000 0.901 462 K CB -0.129 32.457 32.500 0.144 0.000 1.089 462 K HN 0.677 nan 8.250 nan 0.000 0.476 463 F N 2.561 122.534 119.950 0.039 0.000 2.586 463 F HA -0.393 4.134 4.527 -0.000 0.000 0.638 463 F C -0.753 175.075 175.800 0.046 0.000 0.493 463 F CA 1.376 59.376 58.000 -0.000 0.000 0.761 463 F CB -0.800 38.163 39.000 -0.062 0.000 1.635 463 F HN 0.484 nan 8.300 nan 0.000 0.259 464 L N 0.912 122.193 121.223 0.097 0.000 2.296 464 L HA 0.624 4.964 4.340 -0.000 0.000 0.286 464 L C -0.462 176.355 176.870 -0.087 0.000 1.023 464 L CA -0.581 54.248 54.840 -0.018 0.000 0.812 464 L CB 1.382 43.464 42.059 0.037 0.000 1.223 464 L HN 0.027 nan 8.230 nan 0.000 0.421 465 V N 7.156 126.999 119.914 -0.118 0.000 2.495 465 V HA 0.648 4.768 4.120 -0.000 0.000 0.298 465 V C -2.233 173.736 176.094 -0.208 0.000 1.031 465 V CA -2.165 60.057 62.300 -0.129 0.000 0.871 465 V CB 2.290 34.111 31.823 -0.003 0.000 0.988 465 V HN 0.600 nan 8.190 nan 0.000 0.432 466 P HA 0.216 nan 4.420 nan 0.000 0.273 466 P C -2.721 174.499 177.300 -0.133 0.000 1.258 466 P CA -0.700 62.249 63.100 -0.251 0.000 0.802 466 P CB -0.260 31.260 31.700 -0.301 0.000 1.040 467 P HA 0.017 nan 4.420 nan 0.000 0.269 467 P C 0.715 177.984 177.300 -0.052 0.000 1.209 467 P CA 0.192 63.249 63.100 -0.072 0.000 0.776 467 P CB 0.162 31.826 31.700 -0.061 0.000 0.876 468 Q N 1.419 121.191 119.800 -0.046 0.000 2.368 468 Q HA -0.211 4.129 4.340 -0.000 0.000 0.210 468 Q C -0.450 175.538 176.000 -0.020 0.000 0.982 468 Q CA 0.958 56.743 55.803 -0.030 0.000 0.884 468 Q CB -0.280 28.436 28.738 -0.036 0.000 0.933 468 Q HN 0.448 nan 8.270 nan 0.000 0.460 469 E N -0.282 119.904 120.200 -0.023 0.000 5.234 469 E HA -0.114 4.236 4.350 -0.000 0.000 0.170 469 E C -1.464 175.127 176.600 -0.016 0.000 1.556 469 E CA 0.534 56.924 56.400 -0.016 0.000 1.185 469 E CB -0.847 28.850 29.700 -0.006 0.000 1.023 469 E HN 0.187 nan 8.360 nan 0.000 0.337 470 S N 0.000 115.689 115.700 -0.019 0.000 2.498 470 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 470 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 470 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517