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 1w0k_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.291 176.300 -0.015 0.000 2.045 24 D CA 0.000 53.996 54.000 -0.006 0.000 0.868 24 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 25 L N 0.652 121.863 121.223 -0.021 0.000 2.675 25 L HA 0.081 4.421 4.340 -0.000 0.000 0.238 25 L C 1.881 178.716 176.870 -0.059 0.000 1.155 25 L CA 0.495 55.307 54.840 -0.048 0.000 0.881 25 L CB 0.042 42.059 42.059 -0.071 0.000 1.008 25 L HN 0.181 nan 8.230 nan 0.000 0.443 26 E N 0.121 120.296 120.200 -0.041 0.000 2.140 26 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 26 E C 1.259 177.836 176.600 -0.037 0.000 0.973 26 E CA 0.721 57.099 56.400 -0.038 0.000 0.829 26 E CB 0.321 30.005 29.700 -0.027 0.000 0.781 26 E HN 0.445 nan 8.360 nan 0.000 0.466 27 E N 0.179 120.358 120.200 -0.033 0.000 2.539 27 E HA 0.171 4.521 4.350 -0.000 0.000 0.215 27 E C 0.022 176.597 176.600 -0.041 0.000 0.965 27 E CA 0.218 56.598 56.400 -0.033 0.000 1.019 27 E CB 1.416 31.101 29.700 -0.024 0.000 1.059 27 E HN -0.014 nan 8.360 nan 0.000 0.496 28 T N -0.495 114.034 114.554 -0.042 0.000 2.883 28 T HA 0.721 5.071 4.350 -0.000 0.000 0.296 28 T C -0.377 174.297 174.700 -0.044 0.000 1.117 28 T CA -0.599 61.476 62.100 -0.042 0.000 1.006 28 T CB 2.359 71.213 68.868 -0.024 0.000 1.191 28 T HN 0.104 nan 8.240 nan 0.000 0.508 29 G N 0.783 109.560 108.800 -0.037 0.000 2.698 29 G HA2 0.626 4.586 3.960 -0.000 0.000 0.293 29 G HA3 0.626 4.586 3.960 -0.000 0.000 0.293 29 G C -1.749 173.167 174.900 0.027 0.000 1.437 29 G CA -0.806 44.286 45.100 -0.012 0.000 0.852 29 G HN 0.464 nan 8.290 nan 0.000 0.499 30 R N 0.431 120.982 120.500 0.084 0.000 2.346 30 R HA 0.444 4.784 4.340 -0.000 0.000 0.311 30 R C -0.247 176.117 176.300 0.107 0.000 0.983 30 R CA -0.683 55.473 56.100 0.093 0.000 0.880 30 R CB 1.965 32.324 30.300 0.098 0.000 1.100 30 R HN 0.326 nan 8.270 nan 0.000 0.453 31 V N 5.511 125.486 119.914 0.103 0.000 2.485 31 V HA -0.013 4.107 4.120 -0.000 0.000 0.287 31 V C 1.893 178.033 176.094 0.075 0.000 1.022 31 V CA 0.262 62.630 62.300 0.113 0.000 1.067 31 V CB 0.329 32.238 31.823 0.144 0.000 0.967 31 V HN 0.694 nan 8.190 nan 0.000 0.479 32 L N 3.740 125.005 121.223 0.071 0.000 2.102 32 L HA 0.101 4.441 4.340 -0.000 0.000 0.202 32 L C 1.025 177.910 176.870 0.025 0.000 1.076 32 L CA 1.170 56.033 54.840 0.037 0.000 0.761 32 L CB 0.122 42.207 42.059 0.043 0.000 0.921 32 L HN 0.855 nan 8.230 nan 0.000 0.444 33 S N -1.190 114.529 115.700 0.033 0.000 2.533 33 S HA 0.606 5.076 4.470 -0.000 0.000 0.271 33 S C -1.044 173.567 174.600 0.017 0.000 1.143 33 S CA -0.794 57.417 58.200 0.018 0.000 0.891 33 S CB 2.488 65.694 63.200 0.010 0.000 1.105 33 S HN 0.043 nan 8.310 nan 0.000 0.468 34 I N 1.259 121.830 120.570 0.001 0.000 2.730 34 I HA 0.918 5.088 4.170 -0.000 0.000 0.298 34 I C -0.243 175.859 176.117 -0.026 0.000 1.089 34 I CA 0.559 61.849 61.300 -0.017 0.000 1.041 34 I CB 1.859 39.839 38.000 -0.034 0.000 1.235 34 I HN 1.508 nan 8.210 nan 0.000 0.423 35 G N 4.356 113.135 108.800 -0.035 0.000 2.307 35 G HA2 0.286 4.246 3.960 -0.000 0.000 0.348 35 G HA3 0.286 4.246 3.960 -0.000 0.000 0.348 35 G C -1.003 173.875 174.900 -0.036 0.000 1.603 35 G CA -0.316 44.763 45.100 -0.034 0.000 0.961 35 G HN 0.849 nan 8.290 nan 0.000 0.686 36 D N -0.802 119.576 120.400 -0.038 0.000 2.945 36 D HA -0.119 4.521 4.640 -0.000 0.000 0.225 36 D C 1.754 178.023 176.300 -0.052 0.000 1.158 36 D CA 3.126 57.101 54.000 -0.042 0.000 0.805 36 D CB -1.304 39.473 40.800 -0.038 0.000 1.098 36 D HN 2.438 nan 8.370 nan 0.000 0.426 37 G N -0.948 107.818 108.800 -0.057 0.000 2.168 37 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 37 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 37 G C 0.214 175.066 174.900 -0.079 0.000 0.977 37 G CA 0.485 45.543 45.100 -0.070 0.000 0.659 37 G HN 0.506 nan 8.290 nan 0.000 0.533 38 I N 0.765 121.298 120.570 -0.062 0.000 2.499 38 I HA 0.628 4.798 4.170 -0.000 0.000 0.288 38 I C 0.309 176.414 176.117 -0.020 0.000 1.048 38 I CA -0.619 60.654 61.300 -0.046 0.000 1.062 38 I CB 1.783 39.758 38.000 -0.042 0.000 1.238 38 I HN 0.275 nan 8.210 nan 0.000 0.426 39 A N 7.888 130.716 122.820 0.013 0.000 2.274 39 A HA 0.632 4.952 4.320 -0.000 0.000 0.309 39 A C -0.082 177.548 177.584 0.077 0.000 1.226 39 A CA -0.668 51.406 52.037 0.061 0.000 0.853 39 A CB 0.567 19.654 19.000 0.145 0.000 1.146 39 A HN 0.609 nan 8.150 nan 0.000 0.518 40 R N 2.103 122.640 120.500 0.061 0.000 2.229 40 R HA 0.460 4.800 4.340 -0.000 0.000 0.328 40 R C -1.212 175.135 176.300 0.079 0.000 1.009 40 R CA -0.319 55.816 56.100 0.057 0.000 0.864 40 R CB 1.293 31.617 30.300 0.040 0.000 1.085 40 R HN 0.432 nan 8.270 nan 0.000 0.453 41 V N 3.350 123.309 119.914 0.076 0.000 2.487 41 V HA 0.130 4.250 4.120 -0.000 0.000 0.298 41 V C -0.111 176.037 176.094 0.091 0.000 1.028 41 V CA -0.963 61.388 62.300 0.084 0.000 0.860 41 V CB 1.554 33.406 31.823 0.050 0.000 0.991 41 V HN 0.689 nan 8.190 nan 0.000 0.427 42 H N 3.117 122.193 119.070 0.010 0.000 2.732 42 H HA 0.570 5.126 4.556 -0.000 0.000 0.351 42 H C 0.738 176.064 175.328 -0.004 0.000 1.090 42 H CA 1.762 57.813 56.048 0.004 0.000 1.431 42 H CB 0.959 30.725 29.762 0.006 0.000 1.447 42 H HN 1.071 nan 8.280 nan 0.000 0.582 43 G N 3.010 111.512 108.800 -0.497 0.000 2.509 43 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.256 43 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.256 43 G C 0.025 174.829 174.900 -0.160 0.000 1.152 43 G CA -0.306 44.603 45.100 -0.320 0.000 0.951 43 G HN 1.137 nan 8.290 nan 0.000 0.559 44 L N -0.491 120.669 121.223 -0.106 0.000 3.742 44 L HA -0.211 4.129 4.340 -0.000 0.000 0.431 44 L C 2.075 178.903 176.870 -0.069 0.000 1.220 44 L CA 1.055 55.849 54.840 -0.078 0.000 0.863 44 L CB -0.611 41.404 42.059 -0.073 0.000 1.751 44 L HN 0.719 nan 8.230 nan 0.000 0.922 45 R N 0.532 120.987 120.500 -0.074 0.000 2.237 45 R HA -0.023 4.317 4.340 -0.000 0.000 0.219 45 R C 1.355 177.630 176.300 -0.042 0.000 1.080 45 R CA 1.477 57.539 56.100 -0.064 0.000 0.995 45 R CB -0.039 30.221 30.300 -0.067 0.000 0.875 45 R HN 0.460 nan 8.270 nan 0.000 0.462 46 N N -0.525 118.153 118.700 -0.037 0.000 2.204 46 N HA 0.082 4.822 4.740 -0.000 0.000 0.219 46 N C -0.896 174.600 175.510 -0.023 0.000 1.151 46 N CA -0.012 53.022 53.050 -0.026 0.000 0.867 46 N CB 0.892 39.365 38.487 -0.023 0.000 1.043 46 N HN -0.092 nan 8.380 nan 0.000 0.516 47 V N 1.434 121.332 119.914 -0.027 0.000 2.811 47 V HA 0.077 4.197 4.120 -0.000 0.000 0.302 47 V C 0.874 176.961 176.094 -0.011 0.000 1.063 47 V CA -0.356 61.931 62.300 -0.021 0.000 1.088 47 V CB 1.018 32.824 31.823 -0.028 0.000 0.982 47 V HN 0.129 nan 8.190 nan 0.000 0.485 48 Q N 1.597 121.394 119.800 -0.005 0.000 2.318 48 Q HA 0.602 4.942 4.340 -0.000 0.000 0.222 48 Q C 0.139 176.145 176.000 0.009 0.000 1.003 48 Q CA -0.443 55.362 55.803 0.003 0.000 0.936 48 Q CB 0.825 29.567 28.738 0.006 0.000 1.204 48 Q HN 0.944 nan 8.270 nan 0.000 0.524 49 A N 1.197 124.025 122.820 0.014 0.000 2.409 49 A HA 0.190 4.510 4.320 -0.000 0.000 0.262 49 A C -0.160 177.442 177.584 0.031 0.000 1.113 49 A CA -0.054 51.996 52.037 0.023 0.000 0.790 49 A CB -0.086 18.928 19.000 0.024 0.000 1.046 49 A HN 0.919 nan 8.150 nan 0.000 0.496 50 E N -0.478 119.748 120.200 0.043 0.000 2.694 50 E HA -0.186 4.164 4.350 -0.000 0.000 0.272 50 E C -0.020 176.617 176.600 0.061 0.000 1.040 50 E CA 1.241 57.678 56.400 0.060 0.000 0.809 50 E CB -1.210 28.520 29.700 0.050 0.000 1.389 50 E HN 0.862 nan 8.360 nan 0.000 0.413 51 E N 0.573 120.803 120.200 0.050 0.000 2.231 51 E HA 0.385 4.735 4.350 -0.000 0.000 0.277 51 E C -0.127 176.511 176.600 0.063 0.000 0.999 51 E CA -0.735 55.691 56.400 0.044 0.000 0.827 51 E CB 0.896 30.608 29.700 0.019 0.000 1.101 51 E HN 0.074 nan 8.360 nan 0.000 0.393 52 M N 4.227 123.871 119.600 0.072 0.000 2.243 52 M HA 0.149 4.629 4.480 -0.000 0.000 0.341 52 M C -1.016 175.306 176.300 0.036 0.000 1.130 52 M CA -0.070 55.288 55.300 0.098 0.000 1.162 52 M CB 0.936 33.593 32.600 0.095 0.000 1.497 52 M HN 0.334 nan 8.290 nan 0.000 0.456 53 V N 1.026 120.951 119.914 0.018 0.000 2.962 53 V HA 0.676 4.796 4.120 -0.000 0.000 0.313 53 V C -0.988 175.036 176.094 -0.115 0.000 1.099 53 V CA -0.903 61.336 62.300 -0.102 0.000 0.971 53 V CB 2.034 33.715 31.823 -0.236 0.000 1.028 53 V HN 0.851 nan 8.190 nan 0.000 0.430 54 E N 1.999 122.108 120.200 -0.151 0.000 2.151 54 E HA 0.572 4.922 4.350 -0.000 0.000 0.275 54 E C -1.476 175.022 176.600 -0.170 0.000 0.936 54 E CA -0.446 55.914 56.400 -0.067 0.000 0.777 54 E CB 1.899 31.595 29.700 -0.007 0.000 1.108 54 E HN 0.643 nan 8.360 nan 0.000 0.401 55 F N 0.751 120.723 119.950 0.037 0.000 2.370 55 F HA 0.072 4.599 4.527 -0.000 0.000 0.324 55 F C 1.965 177.781 175.800 0.026 0.000 1.116 55 F CA -0.040 57.978 58.000 0.029 0.000 1.123 55 F CB 1.233 40.249 39.000 0.027 0.000 1.238 55 F HN 0.431 nan 8.300 nan 0.000 0.536 56 S N 0.438 116.271 115.700 0.223 0.000 2.400 56 S HA -0.222 4.248 4.470 -0.000 0.000 0.234 56 S C 1.648 176.315 174.600 0.112 0.000 1.049 56 S CA 2.059 60.336 58.200 0.129 0.000 1.039 56 S CB -0.505 62.763 63.200 0.113 0.000 0.856 56 S HN 0.670 nan 8.310 nan 0.000 0.465 57 S N -0.614 115.167 115.700 0.134 0.000 2.622 57 S HA 0.502 4.972 4.470 -0.000 0.000 0.236 57 S C 1.234 175.889 174.600 0.092 0.000 0.956 57 S CA 0.435 58.688 58.200 0.088 0.000 0.971 57 S CB 0.144 63.379 63.200 0.058 0.000 0.782 57 S HN 0.975 nan 8.310 nan 0.000 0.468 58 G N 0.559 109.429 108.800 0.116 0.000 2.162 58 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 58 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 58 G C -0.155 174.826 174.900 0.135 0.000 0.976 58 G CA 0.194 45.357 45.100 0.106 0.000 0.655 58 G HN 0.520 nan 8.290 nan 0.000 0.533 59 L N 1.033 122.367 121.223 0.186 0.000 2.350 59 L HA 0.574 4.914 4.340 -0.000 0.000 0.275 59 L C 0.499 177.592 176.870 0.372 0.000 1.099 59 L CA -0.515 54.450 54.840 0.208 0.000 0.808 59 L CB 0.857 42.967 42.059 0.084 0.000 1.149 59 L HN 0.069 nan 8.230 nan 0.000 0.442 60 K N 3.025 123.625 120.400 0.334 0.000 2.123 60 K HA 0.775 5.095 4.320 -0.000 0.000 0.259 60 K C -0.123 176.790 176.600 0.521 0.000 0.960 60 K CA -0.557 55.963 56.287 0.387 0.000 0.872 60 K CB 1.674 34.351 32.500 0.296 0.000 1.079 60 K HN 0.771 nan 8.250 nan 0.000 0.440 61 G N 0.688 109.767 108.800 0.465 0.000 2.694 61 G HA2 0.631 4.591 3.960 -0.000 0.000 0.290 61 G HA3 0.631 4.591 3.960 -0.000 0.000 0.290 61 G C -1.496 173.540 174.900 0.227 0.000 1.386 61 G CA -0.763 44.524 45.100 0.311 0.000 0.872 61 G HN 0.506 nan 8.290 nan 0.000 0.475 62 M N 0.901 120.530 119.600 0.049 0.000 2.321 62 M HA 0.558 5.038 4.480 -0.000 0.000 0.315 62 M C -0.589 175.742 176.300 0.052 0.000 1.052 62 M CA -0.501 54.882 55.300 0.137 0.000 0.936 62 M CB 1.811 34.568 32.600 0.262 0.000 1.639 62 M HN 0.348 nan 8.290 nan 0.000 0.433 63 S N 4.812 120.543 115.700 0.052 0.000 2.465 63 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 63 S C 0.341 174.963 174.600 0.037 0.000 1.232 63 S CA -0.530 57.687 58.200 0.028 0.000 1.066 63 S CB 0.812 64.020 63.200 0.013 0.000 0.929 63 S HN 0.739 nan 8.310 nan 0.000 0.494 64 L N 4.398 125.637 121.223 0.028 0.000 2.433 64 L HA 0.432 4.772 4.340 -0.000 0.000 0.200 64 L C -0.395 176.491 176.870 0.026 0.000 1.059 64 L CA 0.899 55.758 54.840 0.033 0.000 0.835 64 L CB 0.162 42.234 42.059 0.022 0.000 1.076 64 L HN 0.422 nan 8.230 nan 0.000 0.481 65 N N 0.737 119.447 118.700 0.017 0.000 2.444 65 N HA 0.510 5.250 4.740 -0.000 0.000 0.262 65 N C -1.468 174.048 175.510 0.011 0.000 0.974 65 N CA -0.178 52.881 53.050 0.015 0.000 0.933 65 N CB 1.357 39.851 38.487 0.011 0.000 1.137 65 N HN 0.071 nan 8.380 nan 0.000 0.498 66 L N 1.486 122.715 121.223 0.010 0.000 2.264 66 L HA 0.495 4.835 4.340 -0.000 0.000 0.289 66 L C 0.236 177.108 176.870 0.004 0.000 1.044 66 L CA -0.358 54.485 54.840 0.004 0.000 0.807 66 L CB 0.911 42.971 42.059 0.002 0.000 1.192 66 L HN 0.439 nan 8.230 nan 0.000 0.425 67 E N 3.078 123.280 120.200 0.003 0.000 2.343 67 E HA 0.313 4.663 4.350 -0.000 0.000 0.270 67 E C -1.845 174.757 176.600 0.002 0.000 0.895 67 E CA -1.685 54.718 56.400 0.005 0.000 0.767 67 E CB 2.564 32.270 29.700 0.010 0.000 1.248 67 E HN 0.255 nan 8.360 nan 0.000 0.440 68 P HA -0.245 nan 4.420 nan 0.000 0.219 68 P C 0.361 177.664 177.300 0.005 0.000 1.153 68 P CA 1.640 64.742 63.100 0.004 0.000 0.865 68 P CB 0.183 31.888 31.700 0.008 0.000 0.788 69 D N -3.090 117.320 120.400 0.017 0.000 2.500 69 D HA 0.061 4.701 4.640 -0.000 0.000 0.218 69 D C 0.245 176.578 176.300 0.055 0.000 1.140 69 D CA -0.055 53.969 54.000 0.040 0.000 0.830 69 D CB -0.426 40.408 40.800 0.057 0.000 1.055 69 D HN 0.371 nan 8.370 nan 0.000 0.512 70 N N -1.325 117.393 118.700 0.029 0.000 2.927 70 N HA 0.417 5.157 4.740 -0.000 0.000 0.248 70 N C -2.030 173.486 175.510 0.011 0.000 1.443 70 N CA -0.946 52.124 53.050 0.032 0.000 0.870 70 N CB 1.847 40.368 38.487 0.057 0.000 1.444 70 N HN -0.211 nan 8.380 nan 0.000 0.519 71 V N 0.000 119.922 119.914 0.012 0.000 2.448 71 V HA 0.746 4.866 4.120 -0.000 0.000 0.295 71 V C 0.386 176.493 176.094 0.021 0.000 1.025 71 V CA -0.579 61.725 62.300 0.006 0.000 0.859 71 V CB 1.293 33.109 31.823 -0.011 0.000 0.988 71 V HN 0.887 nan 8.190 nan 0.000 0.431 72 G N 4.067 112.878 108.800 0.018 0.000 2.338 72 G HA2 0.509 4.469 3.960 -0.000 0.000 0.295 72 G HA3 0.509 4.469 3.960 -0.000 0.000 0.295 72 G C -0.647 174.267 174.900 0.023 0.000 1.132 72 G CA -0.179 44.933 45.100 0.020 0.000 0.922 72 G HN 0.558 nan 8.290 nan 0.000 0.427 73 V N 3.808 123.750 119.914 0.046 0.000 2.384 73 V HA 0.215 4.335 4.120 -0.000 0.000 0.287 73 V C 0.359 176.463 176.094 0.016 0.000 1.020 73 V CA -0.851 61.486 62.300 0.062 0.000 0.850 73 V CB 1.512 33.436 31.823 0.168 0.000 0.987 73 V HN 0.505 nan 8.190 nan 0.000 0.436 74 V N 5.888 125.758 119.914 -0.073 0.000 2.508 74 V HA 0.172 4.292 4.120 -0.000 0.000 0.281 74 V C 0.251 176.135 176.094 -0.351 0.000 1.041 74 V CA -0.148 62.030 62.300 -0.203 0.000 1.016 74 V CB 1.366 33.043 31.823 -0.243 0.000 0.984 74 V HN 0.635 nan 8.190 nan 0.000 0.478 75 V N 6.122 125.860 119.914 -0.294 0.000 2.370 75 V HA 0.343 4.463 4.120 -0.000 0.000 0.279 75 V C 0.005 175.942 176.094 -0.263 0.000 1.029 75 V CA -0.336 61.808 62.300 -0.261 0.000 0.870 75 V CB 1.039 32.714 31.823 -0.247 0.000 0.984 75 V HN 0.729 nan 8.190 nan 0.000 0.451 76 F N 4.340 124.346 119.950 0.093 0.000 2.669 76 F HA 0.612 5.139 4.527 -0.000 0.000 0.353 76 F C 1.171 177.003 175.800 0.053 0.000 1.192 76 F CA 0.282 58.335 58.000 0.089 0.000 1.317 76 F CB 0.281 39.345 39.000 0.107 0.000 1.652 76 F HN 0.738 nan 8.300 nan 0.000 0.608 77 G N 0.551 109.433 108.800 0.135 0.000 2.324 77 G HA2 0.010 3.970 3.960 -0.000 0.000 0.293 77 G HA3 0.010 3.970 3.960 -0.000 0.000 0.293 77 G C -1.811 173.092 174.900 0.006 0.000 1.297 77 G CA -1.296 43.849 45.100 0.075 0.000 0.853 77 G HN 0.109 nan 8.290 nan 0.000 0.535 78 N N 1.152 119.849 118.700 -0.004 0.000 2.406 78 N HA 0.148 4.888 4.740 -0.000 0.000 0.265 78 N C 1.279 176.746 175.510 -0.071 0.000 1.203 78 N CA 0.482 53.516 53.050 -0.027 0.000 0.945 78 N CB 0.664 39.144 38.487 -0.012 0.000 1.165 78 N HN 0.517 nan 8.380 nan 0.000 0.485 79 D N 3.100 123.444 120.400 -0.094 0.000 2.378 79 D HA -0.188 4.452 4.640 -0.000 0.000 0.227 79 D C 1.171 177.402 176.300 -0.115 0.000 1.012 79 D CA 0.329 54.241 54.000 -0.147 0.000 0.905 79 D CB 0.093 40.803 40.800 -0.151 0.000 0.895 79 D HN 0.674 nan 8.370 nan 0.000 0.532 80 K N 1.465 121.821 120.400 -0.074 0.000 2.218 80 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 80 K C 2.116 178.682 176.600 -0.056 0.000 1.046 80 K CA 0.744 56.999 56.287 -0.053 0.000 0.933 80 K CB -0.207 32.272 32.500 -0.034 0.000 0.728 80 K HN 0.206 nan 8.250 nan 0.000 0.454 81 L N 0.938 122.119 121.223 -0.071 0.000 2.093 81 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 81 L C 1.131 177.958 176.870 -0.071 0.000 1.085 81 L CA 0.467 55.270 54.840 -0.061 0.000 0.755 81 L CB -0.248 41.775 42.059 -0.061 0.000 0.904 81 L HN 0.119 nan 8.230 nan 0.000 0.435 82 I N 0.093 120.586 120.570 -0.128 0.000 2.519 82 I HA 0.092 4.262 4.170 -0.000 0.000 0.287 82 I C 0.186 176.273 176.117 -0.051 0.000 1.047 82 I CA 0.319 61.548 61.300 -0.118 0.000 1.381 82 I CB 0.647 38.481 38.000 -0.276 0.000 1.417 82 I HN 0.036 nan 8.210 nan 0.000 0.540 83 K N 4.063 124.460 120.400 -0.004 0.000 2.433 83 K HA 0.385 4.705 4.320 -0.000 0.000 0.252 83 K C -0.836 175.780 176.600 0.027 0.000 1.015 83 K CA -1.007 55.284 56.287 0.006 0.000 0.860 83 K CB 1.673 34.179 32.500 0.009 0.000 1.359 83 K HN 0.497 nan 8.250 nan 0.000 0.452 84 E N 0.225 120.437 120.200 0.020 0.000 2.366 84 E HA 0.081 4.431 4.350 -0.000 0.000 0.266 84 E C 0.394 177.012 176.600 0.029 0.000 1.015 84 E CA 0.961 57.376 56.400 0.025 0.000 0.906 84 E CB 0.164 29.871 29.700 0.011 0.000 0.979 84 E HN 0.779 nan 8.360 nan 0.000 0.443 85 G N 4.098 112.922 108.800 0.039 0.000 2.194 85 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.236 85 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.236 85 G C -0.055 174.876 174.900 0.052 0.000 0.987 85 G CA 0.064 45.187 45.100 0.038 0.000 0.635 85 G HN 0.639 nan 8.290 nan 0.000 0.520 86 D N 0.216 120.659 120.400 0.071 0.000 2.400 86 D HA 0.443 5.083 4.640 -0.000 0.000 0.238 86 D C 0.744 177.103 176.300 0.099 0.000 1.157 86 D CA 0.191 54.248 54.000 0.095 0.000 0.889 86 D CB 0.697 41.577 40.800 0.134 0.000 1.199 86 D HN 0.243 nan 8.370 nan 0.000 0.436 87 I N 1.430 122.051 120.570 0.085 0.000 2.353 87 I HA 0.140 4.310 4.170 -0.000 0.000 0.293 87 I C -0.333 175.795 176.117 0.019 0.000 0.992 87 I CA -0.438 60.891 61.300 0.048 0.000 1.268 87 I CB 1.469 39.489 38.000 0.033 0.000 1.387 87 I HN -0.018 nan 8.210 nan 0.000 0.478 88 V N 6.861 126.743 119.914 -0.054 0.000 2.384 88 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 88 V C 0.064 176.067 176.094 -0.153 0.000 1.020 88 V CA -0.962 61.213 62.300 -0.208 0.000 0.850 88 V CB 1.177 32.806 31.823 -0.323 0.000 0.987 88 V HN 0.575 nan 8.190 nan 0.000 0.436 89 K N 3.674 123.985 120.400 -0.148 0.000 2.110 89 K HA 0.563 4.883 4.320 -0.000 0.000 0.263 89 K C 0.010 176.547 176.600 -0.105 0.000 0.975 89 K CA -0.822 55.409 56.287 -0.094 0.000 0.895 89 K CB 1.764 34.232 32.500 -0.054 0.000 1.060 89 K HN 0.558 nan 8.250 nan 0.000 0.448 90 R N 0.322 120.778 120.500 -0.072 0.000 2.694 90 R HA -0.008 4.332 4.340 -0.000 0.000 0.268 90 R C 1.283 177.561 176.300 -0.037 0.000 1.061 90 R CA 0.356 56.423 56.100 -0.056 0.000 1.133 90 R CB 0.603 30.879 30.300 -0.040 0.000 1.020 90 R HN 0.797 nan 8.270 nan 0.000 0.475 91 T N -2.066 112.473 114.554 -0.024 0.000 2.990 91 T HA 0.187 4.537 4.350 -0.000 0.000 0.249 91 T C 1.333 176.030 174.700 -0.006 0.000 1.039 91 T CA 0.532 62.627 62.100 -0.009 0.000 1.036 91 T CB 0.561 69.432 68.868 0.004 0.000 0.994 91 T HN 0.796 nan 8.240 nan 0.000 0.489 92 G N 1.830 110.626 108.800 -0.007 0.000 2.420 92 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.221 92 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.221 92 G C 0.414 175.315 174.900 0.001 0.000 1.117 92 G CA -0.107 44.991 45.100 -0.004 0.000 0.657 92 G HN 1.304 nan 8.290 nan 0.000 0.512 93 A N 1.720 124.543 122.820 0.005 0.000 2.327 93 A HA 0.664 4.984 4.320 -0.000 0.000 0.283 93 A C 0.706 178.299 177.584 0.015 0.000 1.127 93 A CA -0.415 51.627 52.037 0.008 0.000 0.810 93 A CB 0.308 19.311 19.000 0.006 0.000 1.066 93 A HN 0.665 nan 8.150 nan 0.000 0.492 94 I N 2.434 123.013 120.570 0.015 0.000 2.710 94 I HA -0.031 4.139 4.170 -0.000 0.000 0.286 94 I C 0.683 176.812 176.117 0.021 0.000 1.181 94 I CA 0.266 61.578 61.300 0.021 0.000 1.430 94 I CB 0.242 38.251 38.000 0.014 0.000 1.367 94 I HN 0.373 nan 8.210 nan 0.000 0.577 95 V N 7.244 127.180 119.914 0.037 0.000 2.717 95 V HA -0.140 3.980 4.120 -0.000 0.000 0.302 95 V C 0.372 176.460 176.094 -0.010 0.000 1.097 95 V CA 0.690 63.006 62.300 0.026 0.000 1.262 95 V CB -0.771 31.086 31.823 0.057 0.000 0.846 95 V HN 0.945 nan 8.190 nan 0.000 0.485 96 D N 3.940 124.326 120.400 -0.024 0.000 2.626 96 D HA 0.695 5.335 4.640 -0.000 0.000 0.278 96 D C -0.804 175.471 176.300 -0.042 0.000 1.211 96 D CA -0.555 53.428 54.000 -0.027 0.000 0.903 96 D CB 2.255 43.047 40.800 -0.012 0.000 1.408 96 D HN 0.505 nan 8.370 nan 0.000 0.454 97 V N -4.437 115.456 119.914 -0.034 0.000 2.925 97 V HA 0.671 4.791 4.120 -0.000 0.000 0.311 97 V C -2.941 173.134 176.094 -0.032 0.000 1.104 97 V CA -2.305 59.971 62.300 -0.039 0.000 0.954 97 V CB 1.550 33.347 31.823 -0.043 0.000 1.022 97 V HN 0.407 nan 8.190 nan 0.000 0.427 98 P HA 0.247 nan 4.420 nan 0.000 0.264 98 P C -0.677 176.584 177.300 -0.064 0.000 1.179 98 P CA 0.369 63.440 63.100 -0.049 0.000 0.763 98 P CB 0.657 32.328 31.700 -0.047 0.000 0.806 99 V N 2.237 122.089 119.914 -0.104 0.000 2.971 99 V HA 0.878 4.998 4.120 -0.000 0.000 0.309 99 V C 0.300 176.161 176.094 -0.389 0.000 1.130 99 V CA 0.389 62.587 62.300 -0.170 0.000 0.964 99 V CB 2.012 33.791 31.823 -0.074 0.000 1.029 99 V HN 0.956 nan 8.190 nan 0.000 0.427 100 G N 2.696 111.067 108.800 -0.714 0.000 2.381 100 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.672 100 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.672 100 G C -0.009 174.510 174.900 -0.635 0.000 1.324 100 G CA -0.083 44.313 45.100 -1.173 0.000 0.975 100 G HN 0.638 nan 8.290 nan 0.000 0.593 101 E N -0.101 119.776 120.200 -0.537 0.000 2.401 101 E HA -0.074 4.276 4.350 -0.000 0.000 0.199 101 E C 1.642 178.202 176.600 -0.068 0.000 1.023 101 E CA 1.313 57.613 56.400 -0.166 0.000 0.859 101 E CB 0.095 29.739 29.700 -0.093 0.000 0.780 101 E HN 0.559 nan 8.360 nan 0.000 0.523 102 E N 0.143 120.273 120.200 -0.116 0.000 2.516 102 E HA -0.045 4.305 4.350 -0.000 0.000 0.199 102 E C 1.330 177.905 176.600 -0.041 0.000 1.069 102 E CA 0.325 56.688 56.400 -0.063 0.000 0.876 102 E CB 0.109 29.764 29.700 -0.074 0.000 0.843 102 E HN 0.225 nan 8.360 nan 0.000 0.530 103 L N -0.198 121.003 121.223 -0.036 0.000 2.556 103 L HA 0.176 4.516 4.340 -0.000 0.000 0.226 103 L C 0.311 177.198 176.870 0.028 0.000 1.089 103 L CA -0.170 54.665 54.840 -0.008 0.000 0.864 103 L CB 0.229 42.282 42.059 -0.011 0.000 1.067 103 L HN 0.091 nan 8.230 nan 0.000 0.477 104 L N 0.827 122.088 121.223 0.063 0.000 2.540 104 L HA 0.055 4.395 4.340 -0.000 0.000 0.276 104 L C 1.431 178.327 176.870 0.044 0.000 1.212 104 L CA 0.879 55.774 54.840 0.092 0.000 0.893 104 L CB -0.114 42.046 42.059 0.168 0.000 1.138 104 L HN 0.418 nan 8.230 nan 0.000 0.491 105 G N 2.043 110.851 108.800 0.014 0.000 2.184 105 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.264 105 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.264 105 G C 0.287 175.176 174.900 -0.019 0.000 0.975 105 G CA -0.238 44.850 45.100 -0.020 0.000 0.642 105 G HN 0.496 nan 8.290 nan 0.000 0.536 106 R N -0.328 120.167 120.500 -0.007 0.000 2.604 106 R HA 0.665 5.005 4.340 -0.000 0.000 0.287 106 R C -0.170 176.125 176.300 -0.007 0.000 0.970 106 R CA -0.793 55.302 56.100 -0.008 0.000 0.946 106 R CB 1.726 32.023 30.300 -0.005 0.000 1.127 106 R HN 0.193 nan 8.270 nan 0.000 0.473 107 V N 3.161 123.071 119.914 -0.008 0.000 2.370 107 V HA 0.390 4.510 4.120 -0.000 0.000 0.283 107 V C 0.350 176.445 176.094 0.002 0.000 1.023 107 V CA -0.748 61.552 62.300 -0.001 0.000 0.857 107 V CB 1.393 33.214 31.823 -0.003 0.000 0.985 107 V HN 0.592 nan 8.190 nan 0.000 0.443 108 V N 1.314 121.232 119.914 0.005 0.000 3.113 108 V HA 0.816 4.936 4.120 -0.000 0.000 0.316 108 V C -0.268 175.830 176.094 0.006 0.000 1.125 108 V CA -0.841 61.461 62.300 0.002 0.000 1.026 108 V CB 2.076 33.896 31.823 -0.005 0.000 1.080 108 V HN 0.777 nan 8.190 nan 0.000 0.444 109 D N 1.449 121.851 120.400 0.003 0.000 2.469 109 D HA 0.483 5.123 4.640 -0.000 0.000 0.278 109 D C 1.083 177.376 176.300 -0.011 0.000 1.231 109 D CA 0.029 54.032 54.000 0.005 0.000 1.075 109 D CB 1.000 41.808 40.800 0.013 0.000 1.121 109 D HN 0.811 nan 8.370 nan 0.000 0.571 110 A N -0.957 121.853 122.820 -0.017 0.000 2.119 110 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 110 A C 2.141 179.662 177.584 -0.106 0.000 1.153 110 A CA 0.563 52.570 52.037 -0.050 0.000 0.692 110 A CB -0.716 18.261 19.000 -0.037 0.000 0.799 110 A HN 0.489 nan 8.150 nan 0.000 0.458 111 L N -1.833 119.332 121.223 -0.098 0.000 2.607 111 L HA 0.276 4.616 4.340 -0.000 0.000 0.228 111 L C 1.681 178.509 176.870 -0.070 0.000 1.123 111 L CA 0.587 55.354 54.840 -0.122 0.000 0.890 111 L CB 0.181 42.176 42.059 -0.107 0.000 1.103 111 L HN 0.512 nan 8.230 nan 0.000 0.468 112 G N -0.575 108.197 108.800 -0.047 0.000 2.194 112 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.236 112 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.236 112 G C 0.236 175.123 174.900 -0.021 0.000 0.987 112 G CA -0.348 44.733 45.100 -0.032 0.000 0.635 112 G HN 0.332 nan 8.290 nan 0.000 0.520 113 N N 1.328 120.019 118.700 -0.015 0.000 2.407 113 N HA 0.413 5.153 4.740 -0.000 0.000 0.250 113 N C 0.603 176.111 175.510 -0.003 0.000 1.236 113 N CA 0.940 53.987 53.050 -0.005 0.000 0.879 113 N CB 0.857 39.346 38.487 0.004 0.000 1.088 113 N HN 0.834 nan 8.380 nan 0.000 0.450 114 A N 1.855 124.674 122.820 -0.002 0.000 2.362 114 A HA 0.361 4.681 4.320 -0.000 0.000 0.276 114 A C 1.232 178.817 177.584 0.002 0.000 1.153 114 A CA -0.489 51.547 52.037 -0.002 0.000 0.813 114 A CB -0.357 18.641 19.000 -0.004 0.000 1.081 114 A HN 0.785 nan 8.150 nan 0.000 0.507 115 I N -0.645 119.927 120.570 0.003 0.000 4.081 115 I HA 0.250 4.420 4.170 -0.000 0.000 0.333 115 I C 0.327 176.445 176.117 0.002 0.000 1.413 115 I CA -0.086 61.218 61.300 0.005 0.000 1.110 115 I CB 0.488 38.494 38.000 0.010 0.000 1.082 115 I HN 0.417 nan 8.210 nan 0.000 0.402 116 D N 1.233 121.631 120.400 -0.002 0.000 2.328 116 D HA 0.132 4.772 4.640 -0.000 0.000 0.226 116 D C 1.690 177.987 176.300 -0.006 0.000 1.066 116 D CA 0.382 54.378 54.000 -0.006 0.000 0.861 116 D CB -0.205 40.588 40.800 -0.011 0.000 0.912 116 D HN 0.418 nan 8.370 nan 0.000 0.521 117 G N 0.827 109.626 108.800 -0.003 0.000 2.233 117 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.270 117 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.270 117 G C 0.713 175.611 174.900 -0.004 0.000 1.011 117 G CA 0.540 45.639 45.100 -0.002 0.000 0.762 117 G HN 0.464 nan 8.290 nan 0.000 0.511 118 K N 0.127 120.523 120.400 -0.005 0.000 2.577 118 K HA 0.482 4.802 4.320 -0.000 0.000 0.210 118 K C 1.471 178.068 176.600 -0.005 0.000 1.048 118 K CA 0.567 56.850 56.287 -0.006 0.000 1.188 118 K CB 0.049 32.544 32.500 -0.008 0.000 0.910 118 K HN 1.388 nan 8.250 nan 0.000 0.483 119 G N 2.073 110.871 108.800 -0.004 0.000 2.782 119 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.228 119 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.228 119 G C -2.487 172.410 174.900 -0.004 0.000 1.372 119 G CA -1.073 44.025 45.100 -0.003 0.000 0.862 119 G HN 0.133 nan 8.290 nan 0.000 0.547 120 P HA 0.398 nan 4.420 nan 0.000 0.271 120 P C 0.186 177.480 177.300 -0.010 0.000 1.244 120 P CA -0.184 62.912 63.100 -0.006 0.000 0.793 120 P CB 0.354 32.050 31.700 -0.006 0.000 0.984 121 I N 0.284 120.846 120.570 -0.014 0.000 2.331 121 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 121 I C 1.321 177.424 176.117 -0.024 0.000 0.998 121 I CA -0.183 61.104 61.300 -0.021 0.000 1.267 121 I CB 0.808 38.793 38.000 -0.026 0.000 1.386 121 I HN 0.436 nan 8.210 nan 0.000 0.476 122 G N 4.234 113.018 108.800 -0.026 0.000 3.343 122 G HA2 0.137 4.097 3.960 -0.000 0.000 0.264 122 G HA3 0.137 4.097 3.960 -0.000 0.000 0.264 122 G C 0.240 175.116 174.900 -0.040 0.000 0.884 122 G CA -0.085 44.998 45.100 -0.027 0.000 1.916 122 G HN 0.553 nan 8.290 nan 0.000 0.618 123 S N 0.403 116.076 115.700 -0.045 0.000 2.452 123 S HA 0.321 4.791 4.470 -0.000 0.000 0.284 123 S C 1.274 175.842 174.600 -0.052 0.000 1.171 123 S CA -0.624 57.537 58.200 -0.064 0.000 1.064 123 S CB 1.169 64.329 63.200 -0.067 0.000 0.967 123 S HN 0.519 nan 8.310 nan 0.000 0.484 124 K N 2.732 123.096 120.400 -0.059 0.000 2.202 124 K HA 0.295 4.615 4.320 -0.000 0.000 0.201 124 K C 0.782 177.365 176.600 -0.029 0.000 1.051 124 K CA 0.500 56.765 56.287 -0.037 0.000 0.977 124 K CB 0.192 32.674 32.500 -0.030 0.000 0.792 124 K HN 0.643 nan 8.250 nan 0.000 0.469 125 A N 1.054 123.850 122.820 -0.040 0.000 2.261 125 A HA 0.675 4.995 4.320 -0.000 0.000 0.323 125 A C -0.576 176.992 177.584 -0.027 0.000 1.107 125 A CA -0.505 51.523 52.037 -0.016 0.000 0.883 125 A CB 0.940 19.954 19.000 0.024 0.000 1.251 125 A HN 0.106 nan 8.150 nan 0.000 0.502 126 R N -1.045 119.451 120.500 -0.007 0.000 2.739 126 R HA 0.663 5.003 4.340 -0.000 0.000 0.271 126 R C -1.243 175.060 176.300 0.005 0.000 1.010 126 R CA -0.737 55.357 56.100 -0.009 0.000 0.897 126 R CB 2.518 32.811 30.300 -0.011 0.000 1.236 126 R HN 0.808 nan 8.270 nan 0.000 0.466 127 R N 1.088 121.590 120.500 0.003 0.000 2.535 127 R HA 0.284 4.624 4.340 -0.000 0.000 0.274 127 R C -1.139 175.164 176.300 0.004 0.000 1.090 127 R CA -0.734 55.374 56.100 0.013 0.000 0.930 127 R CB 1.617 31.936 30.300 0.031 0.000 1.223 127 R HN 0.512 nan 8.270 nan 0.000 0.441 128 R N 2.371 122.873 120.500 0.004 0.000 2.484 128 R HA -0.005 4.335 4.340 -0.000 0.000 0.293 128 R C 1.504 177.800 176.300 -0.007 0.000 1.023 128 R CA 0.334 56.432 56.100 -0.004 0.000 1.037 128 R CB 0.736 31.035 30.300 -0.003 0.000 0.951 128 R HN 0.567 nan 8.270 nan 0.000 0.418 129 V N 1.144 121.045 119.914 -0.023 0.000 2.759 129 V HA 0.002 4.122 4.120 -0.000 0.000 0.256 129 V C 1.098 177.166 176.094 -0.043 0.000 1.080 129 V CA 1.756 64.043 62.300 -0.021 0.000 1.101 129 V CB -0.142 31.651 31.823 -0.050 0.000 0.698 129 V HN 0.819 nan 8.190 nan 0.000 0.477 130 G N 0.459 109.214 108.800 -0.076 0.000 4.644 130 G HA2 0.539 4.499 3.960 -0.000 0.000 0.307 130 G HA3 0.539 4.499 3.960 -0.000 0.000 0.307 130 G C -0.148 174.719 174.900 -0.054 0.000 1.331 130 G CA -0.459 44.571 45.100 -0.118 0.000 1.059 130 G HN 0.391 nan 8.290 nan 0.000 0.590 131 L N 0.581 121.793 121.223 -0.019 0.000 2.417 131 L HA 0.290 4.630 4.340 -0.000 0.000 0.268 131 L C 0.959 177.830 176.870 0.001 0.000 1.158 131 L CA -0.449 54.390 54.840 -0.002 0.000 0.819 131 L CB 1.179 43.244 42.059 0.009 0.000 1.112 131 L HN 0.110 nan 8.230 nan 0.000 0.458 132 K N 1.994 122.399 120.400 0.008 0.000 2.355 132 K HA 0.310 4.630 4.320 -0.000 0.000 0.270 132 K C -0.155 176.450 176.600 0.008 0.000 1.003 132 K CA -0.486 55.810 56.287 0.016 0.000 0.957 132 K CB 0.898 33.412 32.500 0.023 0.000 0.939 132 K HN 0.680 nan 8.250 nan 0.000 0.482 133 A N 5.086 127.911 122.820 0.008 0.000 2.445 133 A HA 0.224 4.544 4.320 -0.000 0.000 0.242 133 A C -2.126 175.444 177.584 -0.023 0.000 1.075 133 A CA -1.113 50.921 52.037 -0.004 0.000 0.777 133 A CB -0.459 18.540 19.000 -0.002 0.000 1.013 133 A HN 0.582 nan 8.150 nan 0.000 0.493 134 P HA 0.068 nan 4.420 nan 0.000 0.263 134 P C 0.831 178.080 177.300 -0.085 0.000 1.168 134 P CA 1.025 64.067 63.100 -0.096 0.000 0.759 134 P CB 0.327 31.943 31.700 -0.140 0.000 0.782 135 G N 1.896 110.640 108.800 -0.094 0.000 2.468 135 G HA2 0.084 4.044 3.960 -0.000 0.000 0.264 135 G HA3 0.084 4.044 3.960 -0.000 0.000 0.264 135 G C 1.152 176.006 174.900 -0.076 0.000 1.460 135 G CA -0.527 44.534 45.100 -0.065 0.000 1.060 135 G HN 0.424 nan 8.290 nan 0.000 0.543 136 I N -0.198 120.341 120.570 -0.052 0.000 2.163 136 I HA -0.121 4.049 4.170 -0.000 0.000 0.240 136 I C 2.614 178.694 176.117 -0.062 0.000 1.081 136 I CA 0.627 61.901 61.300 -0.042 0.000 1.353 136 I CB -0.142 37.847 38.000 -0.018 0.000 1.054 136 I HN 0.213 nan 8.210 nan 0.000 0.407 137 I N 1.075 121.605 120.570 -0.068 0.000 2.179 137 I HA -0.151 4.019 4.170 -0.000 0.000 0.242 137 I C -0.244 175.802 176.117 -0.118 0.000 1.088 137 I CA 1.737 63.006 61.300 -0.052 0.000 1.357 137 I CB -2.668 35.335 38.000 0.006 0.000 1.051 137 I HN 0.150 nan 8.210 nan 0.000 0.409 138 P HA -0.070 nan 4.420 nan 0.000 0.231 138 P C 0.345 177.478 177.300 -0.279 0.000 1.158 138 P CA 0.908 63.594 63.100 -0.690 0.000 0.763 138 P CB 0.026 31.006 31.700 -1.200 0.000 0.805 139 R N -0.191 120.218 120.500 -0.153 0.000 2.549 139 R HA 0.684 5.024 4.340 -0.000 0.000 0.267 139 R C -0.121 176.167 176.300 -0.021 0.000 1.045 139 R CA -0.795 55.260 56.100 -0.075 0.000 1.115 139 R CB 1.060 31.323 30.300 -0.062 0.000 1.121 139 R HN 0.010 nan 8.270 nan 0.000 0.543 140 I N -0.742 119.827 120.570 -0.002 0.000 2.827 140 I HA 0.120 4.290 4.170 -0.000 0.000 0.298 140 I C -0.504 175.620 176.117 0.012 0.000 1.235 140 I CA -0.451 60.856 61.300 0.012 0.000 1.021 140 I CB 2.347 40.363 38.000 0.027 0.000 1.259 140 I HN 0.573 nan 8.210 nan 0.000 0.427 141 S N 4.802 120.509 115.700 0.011 0.000 3.332 141 S HA -0.008 4.462 4.470 -0.000 0.000 0.395 141 S C 0.081 174.688 174.600 0.012 0.000 1.180 141 S CA 0.233 58.439 58.200 0.011 0.000 0.985 141 S CB -0.296 62.910 63.200 0.011 0.000 0.694 141 S HN 0.797 nan 8.310 nan 0.000 0.502 142 V N 4.834 124.753 119.914 0.010 0.000 2.763 142 V HA 0.435 4.555 4.120 -0.000 0.000 0.306 142 V C 0.949 177.043 176.094 0.000 0.000 1.059 142 V CA 0.524 62.828 62.300 0.007 0.000 1.138 142 V CB 0.733 32.558 31.823 0.003 0.000 0.940 142 V HN 1.038 nan 8.190 nan 0.000 0.489 143 R N 1.110 121.605 120.500 -0.008 0.000 2.471 143 R HA 0.385 4.725 4.340 -0.000 0.000 0.326 143 R C -0.284 175.994 176.300 -0.037 0.000 0.875 143 R CA -0.419 55.672 56.100 -0.014 0.000 1.102 143 R CB 0.251 30.549 30.300 -0.003 0.000 1.749 143 R HN 0.751 nan 8.270 nan 0.000 0.487 144 E N 2.734 122.897 120.200 -0.061 0.000 2.199 144 E HA 0.405 4.755 4.350 -0.000 0.000 0.269 144 E C -2.767 173.758 176.600 -0.124 0.000 0.899 144 E CA -2.530 53.802 56.400 -0.114 0.000 0.772 144 E CB 2.149 31.736 29.700 -0.188 0.000 1.155 144 E HN -0.105 nan 8.360 nan 0.000 0.408 145 P HA 0.004 nan 4.420 nan 0.000 0.268 145 P C -0.727 176.473 177.300 -0.167 0.000 1.204 145 P CA -0.088 62.942 63.100 -0.116 0.000 0.768 145 P CB 0.439 32.082 31.700 -0.095 0.000 0.842 146 M N 3.782 123.315 119.600 -0.113 0.000 2.060 146 M HA 0.152 4.632 4.480 -0.000 0.000 0.342 146 M C -0.706 175.563 176.300 -0.052 0.000 1.031 146 M CA -0.456 54.778 55.300 -0.110 0.000 0.981 146 M CB 0.408 32.963 32.600 -0.075 0.000 1.376 146 M HN 0.318 nan 8.290 nan 0.000 0.397 147 Q N 2.788 122.571 119.800 -0.029 0.000 2.295 147 Q HA 0.192 4.532 4.340 -0.000 0.000 0.259 147 Q C 1.177 177.222 176.000 0.075 0.000 0.976 147 Q CA 0.130 55.971 55.803 0.064 0.000 0.923 147 Q CB 0.842 29.697 28.738 0.195 0.000 1.185 147 Q HN 0.761 nan 8.270 nan 0.000 0.410 148 T N -1.248 113.335 114.554 0.049 0.000 2.976 148 T HA 0.150 4.500 4.350 -0.000 0.000 0.257 148 T C 1.273 175.998 174.700 0.042 0.000 1.051 148 T CA 0.738 62.861 62.100 0.040 0.000 1.141 148 T CB 0.147 69.029 68.868 0.023 0.000 0.881 148 T HN 0.795 nan 8.240 nan 0.000 0.461 149 G N 1.412 110.236 108.800 0.041 0.000 2.232 149 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.226 149 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.226 149 G C -0.008 174.903 174.900 0.019 0.000 0.996 149 G CA -0.176 44.939 45.100 0.026 0.000 0.626 149 G HN 0.627 nan 8.290 nan 0.000 0.509 150 I N 1.886 122.467 120.570 0.019 0.000 2.352 150 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 150 I C 1.548 177.679 176.117 0.024 0.000 1.036 150 I CA -0.459 60.852 61.300 0.017 0.000 1.336 150 I CB 1.368 39.376 38.000 0.013 0.000 1.407 150 I HN 0.050 nan 8.210 nan 0.000 0.497 151 K N 4.589 125.005 120.400 0.026 0.000 2.097 151 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 151 K C 2.082 178.701 176.600 0.032 0.000 1.049 151 K CA 1.533 57.839 56.287 0.031 0.000 0.933 151 K CB -0.223 32.297 32.500 0.034 0.000 0.717 151 K HN 0.800 nan 8.250 nan 0.000 0.442 152 A N 1.266 124.105 122.820 0.032 0.000 1.883 152 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 152 A C 2.434 180.039 177.584 0.035 0.000 1.186 152 A CA 1.796 53.855 52.037 0.036 0.000 0.624 152 A CB -0.782 18.242 19.000 0.040 0.000 0.822 152 A HN 0.074 nan 8.150 nan 0.000 0.444 153 V N 0.522 120.454 119.914 0.031 0.000 2.231 153 V HA -0.191 3.929 4.120 -0.000 0.000 0.240 153 V C 2.017 178.127 176.094 0.027 0.000 1.039 153 V CA 2.041 64.357 62.300 0.027 0.000 0.998 153 V CB -1.037 30.798 31.823 0.020 0.000 0.639 153 V HN 0.466 nan 8.190 nan 0.000 0.451 154 D N 0.517 120.933 120.400 0.026 0.000 2.354 154 D HA -0.117 4.523 4.640 -0.000 0.000 0.216 154 D C 2.209 178.525 176.300 0.028 0.000 0.970 154 D CA 1.720 55.736 54.000 0.027 0.000 0.905 154 D CB -0.039 40.780 40.800 0.032 0.000 0.903 154 D HN 0.647 nan 8.370 nan 0.000 0.508 155 S N -1.503 114.216 115.700 0.031 0.000 2.539 155 S HA 0.153 4.623 4.470 -0.000 0.000 0.226 155 S C 1.614 176.233 174.600 0.032 0.000 1.054 155 S CA -0.288 57.931 58.200 0.032 0.000 0.910 155 S CB 0.248 63.469 63.200 0.036 0.000 0.818 155 S HN 0.169 nan 8.310 nan 0.000 0.490 156 L N 0.951 122.194 121.223 0.034 0.000 2.840 156 L HA 0.465 4.805 4.340 -0.000 0.000 0.249 156 L C -0.477 176.417 176.870 0.040 0.000 1.119 156 L CA 0.075 54.937 54.840 0.037 0.000 0.930 156 L CB 1.508 43.592 42.059 0.040 0.000 1.295 156 L HN 0.157 nan 8.230 nan 0.000 0.534 157 V N 0.176 120.112 119.914 0.037 0.000 2.502 157 V HA 0.279 4.399 4.120 -0.000 0.000 0.261 157 V C -2.604 173.505 176.094 0.025 0.000 0.996 157 V CA -1.196 61.126 62.300 0.037 0.000 1.095 157 V CB 0.303 32.152 31.823 0.044 0.000 1.325 157 V HN -0.030 nan 8.190 nan 0.000 0.574 158 P HA 0.352 nan 4.420 nan 0.000 0.271 158 P C -0.175 177.129 177.300 0.006 0.000 1.220 158 P CA 0.309 63.416 63.100 0.013 0.000 0.768 158 P CB 0.953 32.660 31.700 0.013 0.000 0.848 159 I N 1.813 122.382 120.570 -0.002 0.000 2.676 159 I HA 0.660 4.830 4.170 -0.000 0.000 0.309 159 I C 1.001 177.104 176.117 -0.022 0.000 0.990 159 I CA -0.365 60.929 61.300 -0.010 0.000 1.168 159 I CB 1.770 39.763 38.000 -0.012 0.000 1.343 159 I HN 0.350 nan 8.210 nan 0.000 0.482 160 G N 2.642 111.428 108.800 -0.024 0.000 2.612 160 G HA2 0.506 4.466 3.960 -0.000 0.000 0.298 160 G HA3 0.506 4.466 3.960 -0.000 0.000 0.298 160 G C -1.027 173.854 174.900 -0.033 0.000 1.336 160 G CA -0.898 44.181 45.100 -0.034 0.000 0.953 160 G HN 0.497 nan 8.290 nan 0.000 0.482 161 R N 0.496 120.966 120.500 -0.050 0.000 2.421 161 R HA 0.406 4.746 4.340 -0.000 0.000 0.305 161 R C 1.194 177.508 176.300 0.023 0.000 1.039 161 R CA 0.926 57.012 56.100 -0.023 0.000 1.003 161 R CB 0.678 30.936 30.300 -0.069 0.000 0.959 161 R HN 1.284 nan 8.270 nan 0.000 0.427 162 G N 1.899 110.718 108.800 0.031 0.000 2.253 162 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.209 162 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.209 162 G C 0.187 175.095 174.900 0.013 0.000 0.997 162 G CA -0.106 45.012 45.100 0.029 0.000 0.640 162 G HN 0.590 nan 8.290 nan 0.000 0.496 163 Q N 0.441 120.244 119.800 0.005 0.000 2.354 163 Q HA 0.634 4.974 4.340 -0.000 0.000 0.244 163 Q C -0.095 175.904 176.000 -0.002 0.000 0.969 163 Q CA -0.284 55.519 55.803 0.000 0.000 0.885 163 Q CB 0.370 29.106 28.738 -0.004 0.000 1.241 163 Q HN 0.325 nan 8.270 nan 0.000 0.461 164 R N 2.393 122.891 120.500 -0.004 0.000 2.288 164 R HA 0.291 4.631 4.340 -0.000 0.000 0.326 164 R C -1.360 174.929 176.300 -0.017 0.000 0.959 164 R CA -0.473 55.622 56.100 -0.009 0.000 0.834 164 R CB 1.435 31.727 30.300 -0.014 0.000 1.157 164 R HN 0.487 nan 8.270 nan 0.000 0.470 165 E N 2.790 122.975 120.200 -0.024 0.000 2.165 165 E HA 0.293 4.643 4.350 -0.000 0.000 0.266 165 E C -1.395 175.171 176.600 -0.057 0.000 0.889 165 E CA -0.958 55.421 56.400 -0.035 0.000 0.756 165 E CB 1.015 30.699 29.700 -0.026 0.000 1.131 165 E HN 0.392 nan 8.360 nan 0.000 0.411 166 L N 5.425 126.598 121.223 -0.084 0.000 2.331 166 L HA 0.419 4.759 4.340 -0.000 0.000 0.278 166 L C -1.061 175.719 176.870 -0.151 0.000 1.106 166 L CA -0.228 54.540 54.840 -0.119 0.000 0.824 166 L CB 0.560 42.532 42.059 -0.144 0.000 1.142 166 L HN 0.516 nan 8.230 nan 0.000 0.443 167 I N 7.108 127.601 120.570 -0.129 0.000 2.304 167 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 167 I C -0.159 175.864 176.117 -0.156 0.000 1.018 167 I CA -0.131 61.090 61.300 -0.132 0.000 1.260 167 I CB 0.746 38.697 38.000 -0.081 0.000 1.390 167 I HN 0.663 nan 8.210 nan 0.000 0.475 168 I N 5.135 125.573 120.570 -0.219 0.000 2.533 168 I HA 0.835 5.005 4.170 -0.000 0.000 0.290 168 I C -0.222 175.832 176.117 -0.106 0.000 1.056 168 I CA 0.202 61.378 61.300 -0.206 0.000 1.057 168 I CB 1.927 39.710 38.000 -0.362 0.000 1.240 168 I HN 0.697 nan 8.210 nan 0.000 0.423 169 G N 4.786 113.565 108.800 -0.035 0.000 2.328 169 G HA2 0.178 4.138 3.960 -0.000 0.000 0.295 169 G HA3 0.178 4.138 3.960 -0.000 0.000 0.295 169 G C -1.940 172.968 174.900 0.013 0.000 1.413 169 G CA -0.822 44.289 45.100 0.017 0.000 0.817 169 G HN 0.472 nan 8.290 nan 0.000 0.546 170 D N 0.055 120.471 120.400 0.025 0.000 2.361 170 D HA 0.266 4.906 4.640 -0.000 0.000 0.239 170 D C 1.137 177.436 176.300 -0.003 0.000 1.200 170 D CA -0.008 54.006 54.000 0.023 0.000 0.915 170 D CB 0.706 41.528 40.800 0.037 0.000 1.170 170 D HN 0.538 nan 8.370 nan 0.000 0.444 171 R N 1.140 121.645 120.500 0.009 0.000 2.583 171 R HA -0.096 4.244 4.340 -0.000 0.000 0.274 171 R C -0.055 176.235 176.300 -0.016 0.000 0.998 171 R CA 0.446 56.546 56.100 0.001 0.000 1.081 171 R CB 0.127 30.441 30.300 0.022 0.000 0.940 171 R HN 0.383 nan 8.270 nan 0.000 0.413 172 Q N 1.257 121.027 119.800 -0.051 0.000 2.479 172 Q HA -0.137 4.203 4.340 -0.000 0.000 0.282 172 Q C -0.094 175.723 176.000 -0.305 0.000 1.279 172 Q CA 1.391 57.138 55.803 -0.094 0.000 0.815 172 Q CB -1.581 27.179 28.738 0.037 0.000 1.204 172 Q HN 0.976 nan 8.270 nan 0.000 0.444 173 T N -5.351 108.985 114.554 -0.364 0.000 2.975 173 T HA 0.447 4.797 4.350 -0.000 0.000 0.261 173 T C 1.039 175.390 174.700 -0.582 0.000 0.984 173 T CA 0.670 62.446 62.100 -0.540 0.000 0.911 173 T CB 1.287 70.031 68.868 -0.207 0.000 1.127 173 T HN 0.833 nan 8.240 nan 0.000 0.514 174 G N 1.679 110.241 108.800 -0.397 0.000 2.186 174 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.130 174 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.130 174 G C 0.526 175.349 174.900 -0.127 0.000 1.031 174 G CA 0.127 45.074 45.100 -0.254 0.000 0.697 174 G HN 0.434 nan 8.290 nan 0.000 0.494 175 K N -0.443 119.897 120.400 -0.099 0.000 1.991 175 K HA -0.010 4.310 4.320 -0.000 0.000 0.207 175 K C 2.628 179.218 176.600 -0.016 0.000 1.045 175 K CA 1.847 58.101 56.287 -0.055 0.000 0.937 175 K CB -0.263 32.209 32.500 -0.047 0.000 0.720 175 K HN 0.253 nan 8.250 nan 0.000 0.438 176 T N 0.900 115.460 114.554 0.011 0.000 2.759 176 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 176 T C 1.996 176.723 174.700 0.045 0.000 1.042 176 T CA 1.496 63.641 62.100 0.075 0.000 1.140 176 T CB -0.187 68.740 68.868 0.097 0.000 0.864 176 T HN 0.119 nan 8.240 nan 0.000 0.455 177 S N 0.724 116.419 115.700 -0.008 0.000 2.447 177 S HA 0.089 4.559 4.470 -0.000 0.000 0.233 177 S C 1.906 176.482 174.600 -0.040 0.000 1.006 177 S CA 0.533 58.707 58.200 -0.044 0.000 0.957 177 S CB -0.315 62.828 63.200 -0.095 0.000 0.773 177 S HN 0.424 nan 8.310 nan 0.000 0.507 178 I N 1.031 121.587 120.570 -0.023 0.000 2.617 178 I HA -0.111 4.059 4.170 -0.000 0.000 0.256 178 I C 2.404 178.528 176.117 0.012 0.000 1.167 178 I CA 0.751 62.044 61.300 -0.012 0.000 1.469 178 I CB -0.196 37.794 38.000 -0.017 0.000 1.098 178 I HN 0.272 nan 8.210 nan 0.000 0.436 179 A N 0.796 123.638 122.820 0.037 0.000 1.898 179 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 179 A C 2.140 179.768 177.584 0.074 0.000 1.183 179 A CA 0.937 53.017 52.037 0.072 0.000 0.622 179 A CB -0.369 18.717 19.000 0.143 0.000 0.824 179 A HN 0.211 nan 8.150 nan 0.000 0.444 180 I N 0.887 121.489 120.570 0.053 0.000 2.179 180 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 180 I C 1.681 177.831 176.117 0.054 0.000 1.088 180 I CA 1.673 62.992 61.300 0.032 0.000 1.357 180 I CB -1.673 36.350 38.000 0.038 0.000 1.051 180 I HN 0.255 nan 8.210 nan 0.000 0.409 181 D N 0.249 120.669 120.400 0.033 0.000 2.263 181 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 181 D C 2.129 178.455 176.300 0.043 0.000 0.971 181 D CA 1.138 55.156 54.000 0.030 0.000 0.867 181 D CB -0.029 40.761 40.800 -0.017 0.000 0.929 181 D HN 0.252 nan 8.370 nan 0.000 0.492 182 T N -0.252 114.329 114.554 0.044 0.000 2.896 182 T HA 0.055 4.405 4.350 -0.000 0.000 0.263 182 T C 2.046 176.792 174.700 0.077 0.000 1.050 182 T CA 0.333 62.464 62.100 0.052 0.000 1.140 182 T CB 0.064 68.954 68.868 0.038 0.000 0.877 182 T HN 0.142 nan 8.240 nan 0.000 0.457 183 I N 0.573 121.195 120.570 0.088 0.000 2.233 183 I HA -0.062 4.108 4.170 -0.000 0.000 0.243 183 I C 2.165 178.394 176.117 0.187 0.000 1.093 183 I CA 1.185 62.567 61.300 0.136 0.000 1.380 183 I CB -0.287 37.765 38.000 0.087 0.000 1.067 183 I HN 0.178 nan 8.210 nan 0.000 0.413 184 I N 1.126 121.768 120.570 0.120 0.000 2.335 184 I HA -0.319 3.851 4.170 -0.000 0.000 0.251 184 I C 2.160 178.347 176.117 0.116 0.000 1.129 184 I CA 1.422 62.793 61.300 0.118 0.000 1.402 184 I CB -0.429 37.628 38.000 0.094 0.000 1.069 184 I HN 0.327 nan 8.210 nan 0.000 0.424 185 N N 0.417 119.168 118.700 0.084 0.000 2.453 185 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 185 N C 1.743 177.257 175.510 0.008 0.000 1.041 185 N CA 0.889 53.960 53.050 0.034 0.000 0.900 185 N CB 0.097 38.610 38.487 0.043 0.000 0.961 185 N HN 0.186 nan 8.380 nan 0.000 0.443 186 Q N 0.400 120.232 119.800 0.053 0.000 2.369 186 Q HA -0.063 4.277 4.340 -0.000 0.000 0.206 186 Q C 1.606 177.464 176.000 -0.237 0.000 0.963 186 Q CA 0.550 56.322 55.803 -0.051 0.000 0.894 186 Q CB -0.182 28.424 28.738 -0.218 0.000 0.965 186 Q HN 0.510 nan 8.270 nan 0.000 0.475 187 K N 1.335 121.675 120.400 -0.101 0.000 2.044 187 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 187 K C 1.979 178.476 176.600 -0.173 0.000 1.049 187 K CA 1.741 57.994 56.287 -0.056 0.000 0.927 187 K CB 0.019 32.562 32.500 0.073 0.000 0.713 187 K HN 0.241 nan 8.250 nan 0.000 0.443 188 R N -0.626 119.694 120.500 -0.301 0.000 2.127 188 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 188 R C 1.926 177.962 176.300 -0.441 0.000 1.134 188 R CA 1.722 57.572 56.100 -0.417 0.000 0.975 188 R CB -0.617 29.338 30.300 -0.575 0.000 0.865 188 R HN 0.198 nan 8.270 nan 0.000 0.447 189 F N 1.385 121.246 119.950 -0.148 0.000 2.188 189 F HA 0.149 4.676 4.527 -0.000 0.000 0.289 189 F C 1.960 177.646 175.800 -0.189 0.000 1.082 189 F CA 0.716 58.620 58.000 -0.161 0.000 1.282 189 F CB -0.360 38.528 39.000 -0.187 0.000 1.060 189 F HN -0.020 nan 8.300 nan 0.000 0.493 190 N N 0.017 118.648 118.700 -0.115 0.000 2.364 190 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 190 N C 0.584 176.044 175.510 -0.085 0.000 1.022 190 N CA 0.956 53.876 53.050 -0.216 0.000 0.883 190 N CB -0.123 38.042 38.487 -0.536 0.000 0.965 190 N HN 0.159 nan 8.380 nan 0.000 0.438 191 D N -0.285 120.080 120.400 -0.059 0.000 2.340 191 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 191 D C 1.037 177.329 176.300 -0.014 0.000 1.039 191 D CA 0.111 54.101 54.000 -0.018 0.000 0.866 191 D CB 0.023 40.813 40.800 -0.017 0.000 0.913 191 D HN 0.198 nan 8.370 nan 0.000 0.523 192 G N -0.509 108.283 108.800 -0.014 0.000 2.574 192 G HA2 0.287 4.247 3.960 -0.000 0.000 0.248 192 G HA3 0.287 4.247 3.960 -0.000 0.000 0.248 192 G C 1.081 175.992 174.900 0.018 0.000 1.422 192 G CA 0.424 45.525 45.100 0.002 0.000 1.051 192 G HN 0.162 nan 8.290 nan 0.000 0.560 193 T N -2.380 112.188 114.554 0.024 0.000 3.056 193 T HA 0.130 4.480 4.350 -0.000 0.000 0.241 193 T C 0.623 175.344 174.700 0.035 0.000 1.006 193 T CA 0.181 62.298 62.100 0.027 0.000 1.115 193 T CB 0.028 68.908 68.868 0.020 0.000 0.939 193 T HN 0.282 nan 8.240 nan 0.000 0.462 194 D N 2.393 122.815 120.400 0.037 0.000 2.382 194 D HA 0.066 4.706 4.640 -0.000 0.000 0.259 194 D C 0.840 177.165 176.300 0.041 0.000 1.224 194 D CA 0.055 54.077 54.000 0.035 0.000 0.894 194 D CB 0.894 41.712 40.800 0.029 0.000 1.127 194 D HN 0.170 nan 8.370 nan 0.000 0.487 195 E N 2.992 123.224 120.200 0.055 0.000 2.347 195 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 195 E C 1.282 177.947 176.600 0.108 0.000 1.008 195 E CA 0.659 57.110 56.400 0.086 0.000 0.852 195 E CB 0.260 30.016 29.700 0.093 0.000 0.783 195 E HN 0.549 nan 8.360 nan 0.000 0.505 196 K N 0.440 120.885 120.400 0.074 0.000 2.137 196 K HA 0.066 4.386 4.320 -0.000 0.000 0.202 196 K C 1.971 178.536 176.600 -0.058 0.000 1.052 196 K CA 0.459 56.799 56.287 0.088 0.000 0.961 196 K CB 0.194 32.725 32.500 0.052 0.000 0.741 196 K HN -0.099 nan 8.250 nan 0.000 0.452 197 K N 1.323 121.654 120.400 -0.114 0.000 2.432 197 K HA 0.015 4.335 4.320 -0.000 0.000 0.196 197 K C 0.286 176.687 176.600 -0.331 0.000 1.038 197 K CA 0.439 56.551 56.287 -0.291 0.000 0.986 197 K CB 0.174 32.547 32.500 -0.212 0.000 0.782 197 K HN 0.107 nan 8.250 nan 0.000 0.485 198 K N 1.099 121.416 120.400 -0.139 0.000 2.336 198 K HA 0.095 4.415 4.320 -0.000 0.000 0.262 198 K C -0.473 175.996 176.600 -0.219 0.000 0.992 198 K CA -0.000 56.181 56.287 -0.176 0.000 0.927 198 K CB 0.446 32.867 32.500 -0.132 0.000 0.956 198 K HN -0.146 nan 8.250 nan 0.000 0.495 199 L N 2.930 123.927 121.223 -0.377 0.000 2.580 199 L HA 0.273 4.613 4.340 -0.000 0.000 0.266 199 L C -1.777 174.858 176.870 -0.392 0.000 0.955 199 L CA -0.325 54.356 54.840 -0.264 0.000 0.886 199 L CB 0.869 42.808 42.059 -0.199 0.000 1.263 199 L HN 0.463 nan 8.230 nan 0.000 0.406 200 Y N 2.901 123.100 120.300 -0.169 0.000 2.307 200 Y HA 0.614 5.164 4.550 -0.000 0.000 0.324 200 Y C 0.359 176.137 175.900 -0.203 0.000 1.238 200 Y CA -0.146 57.807 58.100 -0.245 0.000 1.280 200 Y CB 1.340 39.394 38.460 -0.678 0.000 1.248 200 Y HN 0.541 nan 8.280 nan 0.000 0.508 201 C N 3.414 122.750 119.300 0.060 0.000 2.441 201 C HA 0.682 5.142 4.460 -0.000 0.000 0.318 201 C C -0.424 174.564 174.990 -0.003 0.000 1.222 201 C CA -1.109 57.933 59.018 0.040 0.000 1.474 201 C CB -0.073 27.750 27.740 0.139 0.000 2.125 201 C HN 0.590 nan 8.230 nan 0.000 0.479 202 I N 2.673 123.219 120.570 -0.040 0.000 2.436 202 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 202 I C -0.911 175.183 176.117 -0.038 0.000 1.010 202 I CA -0.479 60.793 61.300 -0.045 0.000 1.098 202 I CB 1.183 39.126 38.000 -0.096 0.000 1.266 202 I HN 0.639 nan 8.210 nan 0.000 0.434 203 Y N 6.803 127.033 120.300 -0.116 0.000 2.345 203 Y HA 0.628 5.178 4.550 -0.000 0.000 0.331 203 Y C -0.960 174.877 175.900 -0.106 0.000 0.959 203 Y CA -0.805 57.224 58.100 -0.118 0.000 1.204 203 Y CB 1.187 39.601 38.460 -0.076 0.000 1.135 203 Y HN 0.280 nan 8.280 nan 0.000 0.477 204 V N 6.146 125.804 119.914 -0.427 0.000 2.406 204 V HA 0.599 4.719 4.120 -0.000 0.000 0.272 204 V C 0.108 175.981 176.094 -0.369 0.000 1.043 204 V CA -0.533 61.602 62.300 -0.276 0.000 0.915 204 V CB 0.954 32.663 31.823 -0.190 0.000 0.988 204 V HN 0.902 nan 8.190 nan 0.000 0.466 205 A N 7.056 129.806 122.820 -0.116 0.000 2.294 205 A HA 0.786 5.106 4.320 -0.000 0.000 0.316 205 A C -0.498 177.078 177.584 -0.013 0.000 1.359 205 A CA -0.318 51.703 52.037 -0.027 0.000 0.956 205 A CB -0.163 18.923 19.000 0.144 0.000 1.155 205 A HN 0.776 nan 8.150 nan 0.000 0.544 206 I N 2.170 122.723 120.570 -0.029 0.000 2.355 206 I HA 0.536 4.706 4.170 -0.000 0.000 0.288 206 I C 1.265 177.399 176.117 0.029 0.000 0.999 206 I CA 0.290 61.593 61.300 0.005 0.000 1.163 206 I CB 1.643 39.638 38.000 -0.009 0.000 1.316 206 I HN 0.906 nan 8.210 nan 0.000 0.454 207 G N 3.650 112.479 108.800 0.048 0.000 2.189 207 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.267 207 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.267 207 G C 0.424 175.355 174.900 0.052 0.000 0.975 207 G CA -0.046 45.087 45.100 0.054 0.000 0.644 207 G HN 0.619 nan 8.290 nan 0.000 0.537 208 Q N 0.038 119.870 119.800 0.054 0.000 2.535 208 Q HA 0.394 4.734 4.340 -0.000 0.000 0.228 208 Q C 0.504 176.537 176.000 0.055 0.000 1.062 208 Q CA 0.087 55.926 55.803 0.060 0.000 0.967 208 Q CB 0.489 29.277 28.738 0.084 0.000 1.273 208 Q HN 0.397 nan 8.270 nan 0.000 0.554 209 K N 0.902 121.332 120.400 0.051 0.000 2.270 209 K HA 0.040 4.360 4.320 -0.000 0.000 0.276 209 K C 0.954 177.579 176.600 0.042 0.000 1.023 209 K CA -0.037 56.275 56.287 0.043 0.000 0.955 209 K CB 0.691 33.214 32.500 0.038 0.000 0.975 209 K HN 0.444 nan 8.250 nan 0.000 0.471 210 R N 1.351 121.872 120.500 0.035 0.000 2.091 210 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 210 R C 1.696 178.010 176.300 0.023 0.000 1.136 210 R CA 2.207 58.325 56.100 0.030 0.000 0.959 210 R CB -0.067 30.249 30.300 0.026 0.000 0.856 210 R HN 0.744 nan 8.270 nan 0.000 0.437 211 S N -0.163 115.549 115.700 0.020 0.000 2.368 211 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 211 S C 1.949 176.556 174.600 0.012 0.000 1.044 211 S CA 2.107 60.315 58.200 0.014 0.000 1.062 211 S CB -0.877 62.333 63.200 0.016 0.000 0.931 211 S HN 0.433 nan 8.310 nan 0.000 0.440 212 T N 2.453 117.020 114.554 0.022 0.000 2.720 212 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 212 T C 1.975 176.681 174.700 0.009 0.000 1.037 212 T CA 1.465 63.579 62.100 0.023 0.000 1.144 212 T CB -0.695 68.199 68.868 0.043 0.000 0.864 212 T HN 0.275 nan 8.240 nan 0.000 0.444 213 V N 1.769 121.697 119.914 0.023 0.000 2.358 213 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 213 V C 2.966 179.048 176.094 -0.020 0.000 1.047 213 V CA 1.531 63.839 62.300 0.014 0.000 1.035 213 V CB -1.332 30.521 31.823 0.050 0.000 0.658 213 V HN 0.546 nan 8.190 nan 0.000 0.452 214 A N -0.545 122.269 122.820 -0.011 0.000 1.902 214 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 214 A C 2.180 179.742 177.584 -0.037 0.000 1.181 214 A CA 1.992 54.016 52.037 -0.021 0.000 0.623 214 A CB -0.527 18.467 19.000 -0.011 0.000 0.818 214 A HN 0.585 nan 8.150 nan 0.000 0.443 215 Q N -0.851 118.929 119.800 -0.033 0.000 2.224 215 Q HA -0.023 4.317 4.340 -0.000 0.000 0.203 215 Q C 2.016 177.974 176.000 -0.071 0.000 0.970 215 Q CA 0.783 56.559 55.803 -0.044 0.000 0.865 215 Q CB -0.144 28.578 28.738 -0.026 0.000 0.922 215 Q HN 0.576 nan 8.270 nan 0.000 0.445 216 L N 0.436 121.609 121.223 -0.084 0.000 2.005 216 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 216 L C 2.328 179.105 176.870 -0.155 0.000 1.072 216 L CA 1.710 56.465 54.840 -0.141 0.000 0.744 216 L CB -0.776 41.157 42.059 -0.209 0.000 0.895 216 L HN 0.286 nan 8.230 nan 0.000 0.433 217 V N -2.520 117.318 119.914 -0.126 0.000 2.515 217 V HA -0.188 3.932 4.120 -0.000 0.000 0.250 217 V C 2.585 178.614 176.094 -0.108 0.000 1.058 217 V CA 1.389 63.619 62.300 -0.117 0.000 1.064 217 V CB -0.779 30.994 31.823 -0.085 0.000 0.675 217 V HN 0.330 nan 8.190 nan 0.000 0.461 218 K N 0.980 121.323 120.400 -0.095 0.000 2.057 218 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 218 K C 2.433 178.963 176.600 -0.116 0.000 1.049 218 K CA 2.074 58.306 56.287 -0.091 0.000 0.931 218 K CB -0.281 32.173 32.500 -0.076 0.000 0.714 218 K HN 0.546 nan 8.250 nan 0.000 0.440 219 R N 1.225 121.643 120.500 -0.137 0.000 2.083 219 R HA -0.060 4.280 4.340 -0.000 0.000 0.237 219 R C 2.351 178.553 176.300 -0.164 0.000 1.137 219 R CA 1.506 57.495 56.100 -0.184 0.000 0.951 219 R CB -0.844 29.334 30.300 -0.204 0.000 0.851 219 R HN 0.204 nan 8.270 nan 0.000 0.434 220 L N -0.128 121.006 121.223 -0.148 0.000 2.046 220 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 220 L C 2.301 179.082 176.870 -0.149 0.000 1.077 220 L CA 1.914 56.664 54.840 -0.150 0.000 0.747 220 L CB -0.679 41.277 42.059 -0.173 0.000 0.896 220 L HN 0.329 nan 8.230 nan 0.000 0.432 221 T N -0.689 113.786 114.554 -0.131 0.000 2.684 221 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 221 T C 1.429 176.070 174.700 -0.098 0.000 1.036 221 T CA 1.752 63.786 62.100 -0.110 0.000 1.148 221 T CB -0.239 68.575 68.868 -0.090 0.000 0.863 221 T HN 0.327 nan 8.240 nan 0.000 0.436 222 D N 1.206 121.545 120.400 -0.102 0.000 2.144 222 D HA 0.034 4.674 4.640 -0.000 0.000 0.200 222 D C 2.013 178.262 176.300 -0.086 0.000 0.978 222 D CA 0.996 54.941 54.000 -0.092 0.000 0.833 222 D CB -0.350 40.385 40.800 -0.109 0.000 0.961 222 D HN 0.425 nan 8.370 nan 0.000 0.470 223 A N 0.184 122.947 122.820 -0.095 0.000 2.238 223 A HA 0.018 4.338 4.320 -0.000 0.000 0.208 223 A C 0.597 178.149 177.584 -0.053 0.000 1.177 223 A CA 0.713 52.709 52.037 -0.067 0.000 0.804 223 A CB -0.105 18.861 19.000 -0.057 0.000 0.823 223 A HN 0.089 nan 8.150 nan 0.000 0.482 224 D N -3.388 116.967 120.400 -0.076 0.000 3.041 224 D HA -0.216 4.424 4.640 -0.000 0.000 0.220 224 D C 0.821 177.044 176.300 -0.129 0.000 1.157 224 D CA 1.193 55.150 54.000 -0.072 0.000 0.876 224 D CB -1.305 39.481 40.800 -0.024 0.000 1.107 224 D HN 0.528 nan 8.370 nan 0.000 0.422 225 A N -0.942 121.741 122.820 -0.229 0.000 2.195 225 A HA 0.172 4.492 4.320 -0.000 0.000 0.210 225 A C 1.897 178.988 177.584 -0.822 0.000 1.165 225 A CA 0.988 52.683 52.037 -0.570 0.000 0.806 225 A CB -0.142 18.695 19.000 -0.271 0.000 0.847 225 A HN 0.289 nan 8.150 nan 0.000 0.482 226 M N 1.161 120.510 119.600 -0.418 0.000 2.296 226 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 226 M C 1.999 178.136 176.300 -0.272 0.000 1.064 226 M CA 1.723 56.842 55.300 -0.302 0.000 1.109 226 M CB -0.429 32.066 32.600 -0.175 0.000 1.396 226 M HN 0.528 nan 8.290 nan 0.000 0.430 227 K N -0.306 119.933 120.400 -0.268 0.000 2.283 227 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 227 K C 0.390 177.004 176.600 0.024 0.000 1.048 227 K CA 1.361 57.596 56.287 -0.086 0.000 0.948 227 K CB -0.661 31.837 32.500 -0.003 0.000 0.742 227 K HN 0.575 nan 8.250 nan 0.000 0.458 228 Y N 0.111 120.440 120.300 0.049 0.000 2.751 228 Y HA 0.492 5.042 4.550 -0.000 0.000 0.289 228 Y C -0.645 175.297 175.900 0.070 0.000 1.110 228 Y CA -1.089 57.067 58.100 0.093 0.000 1.251 228 Y CB 0.120 38.571 38.460 -0.014 0.000 1.178 228 Y HN -0.226 nan 8.280 nan 0.000 0.540 229 T N 2.328 116.884 114.554 0.003 0.000 2.921 229 T HA 0.590 4.940 4.350 -0.000 0.000 0.297 229 T C -0.675 174.027 174.700 0.004 0.000 1.013 229 T CA -0.456 61.638 62.100 -0.010 0.000 0.990 229 T CB 1.662 70.451 68.868 -0.132 0.000 1.023 229 T HN 0.187 nan 8.240 nan 0.000 0.447 230 I N 2.197 122.780 120.570 0.021 0.000 2.377 230 I HA 0.556 4.726 4.170 -0.000 0.000 0.293 230 I C -0.456 175.677 176.117 0.026 0.000 0.987 230 I CA -1.046 60.266 61.300 0.021 0.000 1.185 230 I CB 1.743 39.762 38.000 0.031 0.000 1.341 230 I HN 0.235 nan 8.210 nan 0.000 0.455 231 V N 6.963 126.894 119.914 0.028 0.000 2.326 231 V HA 0.291 4.411 4.120 -0.000 0.000 0.281 231 V C -0.034 176.087 176.094 0.045 0.000 1.015 231 V CA -0.666 61.671 62.300 0.063 0.000 0.823 231 V CB 1.607 33.461 31.823 0.052 0.000 1.009 231 V HN 0.432 nan 8.190 nan 0.000 0.436 232 V N 3.939 123.874 119.914 0.036 0.000 2.432 232 V HA 0.489 4.609 4.120 -0.000 0.000 0.275 232 V C 0.425 176.537 176.094 0.029 0.000 1.043 232 V CA -0.016 62.293 62.300 0.015 0.000 0.925 232 V CB 1.610 33.426 31.823 -0.012 0.000 0.985 232 V HN 0.803 nan 8.190 nan 0.000 0.466 233 S N 3.746 119.465 115.700 0.031 0.000 2.756 233 S HA 0.718 5.188 4.470 -0.000 0.000 0.303 233 S C -0.235 174.388 174.600 0.038 0.000 1.135 233 S CA -0.197 58.030 58.200 0.044 0.000 1.066 233 S CB 0.951 64.182 63.200 0.051 0.000 1.008 233 S HN 1.060 nan 8.310 nan 0.000 0.482 234 A N 4.301 127.145 122.820 0.040 0.000 2.664 234 A HA 0.592 4.912 4.320 -0.000 0.000 0.338 234 A C 0.515 178.133 177.584 0.056 0.000 1.280 234 A CA -0.622 51.445 52.037 0.051 0.000 0.809 234 A CB -0.165 18.869 19.000 0.057 0.000 1.114 234 A HN 0.800 nan 8.150 nan 0.000 0.479 235 T N -1.459 113.127 114.554 0.054 0.000 2.788 235 T HA 0.513 4.863 4.350 -0.000 0.000 0.280 235 T C 1.565 176.297 174.700 0.053 0.000 0.984 235 T CA 0.054 62.185 62.100 0.053 0.000 0.972 235 T CB 1.025 69.921 68.868 0.048 0.000 1.039 235 T HN 1.049 nan 8.240 nan 0.000 0.530 236 A N 0.650 123.500 122.820 0.049 0.000 2.084 236 A HA -0.075 4.245 4.320 -0.000 0.000 0.221 236 A C 2.391 180.002 177.584 0.044 0.000 1.161 236 A CA 2.076 54.141 52.037 0.047 0.000 0.653 236 A CB -1.243 17.783 19.000 0.042 0.000 0.802 236 A HN 1.164 nan 8.150 nan 0.000 0.457 237 S N -1.350 114.375 115.700 0.042 0.000 2.539 237 S HA 0.128 4.598 4.470 -0.000 0.000 0.221 237 S C -0.007 174.618 174.600 0.042 0.000 0.987 237 S CA -0.344 57.878 58.200 0.037 0.000 0.929 237 S CB -0.054 63.164 63.200 0.030 0.000 0.832 237 S HN 0.359 nan 8.310 nan 0.000 0.492 238 D N 2.864 123.296 120.400 0.052 0.000 2.399 238 D HA 0.477 5.117 4.640 -0.000 0.000 0.241 238 D C 0.469 176.812 176.300 0.072 0.000 1.133 238 D CA 0.342 54.380 54.000 0.063 0.000 0.890 238 D CB 1.374 42.218 40.800 0.073 0.000 1.201 238 D HN 0.485 nan 8.370 nan 0.000 0.432 239 A N 1.390 124.257 122.820 0.077 0.000 2.466 239 A HA 0.356 4.676 4.320 -0.000 0.000 0.238 239 A C 1.296 178.946 177.584 0.110 0.000 1.074 239 A CA 0.420 52.502 52.037 0.075 0.000 0.774 239 A CB 0.389 19.426 19.000 0.062 0.000 1.015 239 A HN 0.615 nan 8.150 nan 0.000 0.498 240 A N 2.401 125.277 122.820 0.094 0.000 1.933 240 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 240 A C -0.211 177.500 177.584 0.210 0.000 1.175 240 A CA 1.942 54.053 52.037 0.125 0.000 0.628 240 A CB -1.616 17.431 19.000 0.078 0.000 0.814 240 A HN 0.629 nan 8.150 nan 0.000 0.444 241 P HA -0.141 nan 4.420 nan 0.000 0.218 241 P C 1.350 178.994 177.300 0.573 0.000 1.148 241 P CA 0.858 64.189 63.100 0.385 0.000 0.822 241 P CB -0.099 31.713 31.700 0.186 0.000 0.784 242 L N -1.235 120.234 121.223 0.410 0.000 2.093 242 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 242 L C 2.647 179.640 176.870 0.204 0.000 1.085 242 L CA 1.502 56.519 54.840 0.296 0.000 0.755 242 L CB -0.785 41.399 42.059 0.208 0.000 0.904 242 L HN -0.040 nan 8.230 nan 0.000 0.435 243 Q N -1.261 118.662 119.800 0.206 0.000 2.124 243 Q HA -0.259 4.081 4.340 -0.000 0.000 0.202 243 Q C 2.085 178.203 176.000 0.196 0.000 0.977 243 Q CA 1.918 57.819 55.803 0.162 0.000 0.850 243 Q CB -0.216 28.612 28.738 0.151 0.000 0.901 243 Q HN 0.516 nan 8.270 nan 0.000 0.429 244 Y N 0.688 121.087 120.300 0.165 0.000 2.145 244 Y HA -0.250 4.300 4.550 -0.000 0.000 0.286 244 Y C 1.869 177.914 175.900 0.241 0.000 1.145 244 Y CA 1.375 59.599 58.100 0.207 0.000 1.148 244 Y CB -0.373 38.263 38.460 0.294 0.000 0.981 244 Y HN 0.128 nan 8.280 nan 0.000 0.507 245 L N 1.018 122.237 121.223 -0.007 0.000 2.056 245 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 245 L C 2.577 179.415 176.870 -0.053 0.000 1.078 245 L CA 1.960 56.736 54.840 -0.108 0.000 0.749 245 L CB -1.404 40.621 42.059 -0.057 0.000 0.901 245 L HN 0.318 nan 8.230 nan 0.000 0.433 246 A N 0.382 123.181 122.820 -0.035 0.000 1.909 246 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 246 A C 0.124 177.668 177.584 -0.067 0.000 1.223 246 A CA 2.616 54.628 52.037 -0.041 0.000 0.658 246 A CB -2.315 16.678 19.000 -0.012 0.000 0.831 246 A HN 0.459 nan 8.150 nan 0.000 0.462 247 P HA -0.163 nan 4.420 nan 0.000 0.215 247 P C 1.003 178.190 177.300 -0.189 0.000 1.153 247 P CA 1.500 64.506 63.100 -0.157 0.000 0.853 247 P CB -0.247 31.073 31.700 -0.634 0.000 0.788 248 Y N -0.559 119.667 120.300 -0.123 0.000 2.200 248 Y HA -0.133 4.417 4.550 -0.000 0.000 0.290 248 Y C 2.670 178.526 175.900 -0.073 0.000 1.137 248 Y CA 1.208 59.231 58.100 -0.128 0.000 1.163 248 Y CB -1.253 37.071 38.460 -0.226 0.000 0.988 248 Y HN -0.095 nan 8.280 nan 0.000 0.518 249 S N 0.071 115.801 115.700 0.051 0.000 2.359 249 S HA -0.224 4.246 4.470 -0.000 0.000 0.223 249 S C 2.408 177.019 174.600 0.017 0.000 1.039 249 S CA 1.431 59.634 58.200 0.006 0.000 1.042 249 S CB -1.128 62.050 63.200 -0.036 0.000 0.915 249 S HN 0.680 nan 8.310 nan 0.000 0.439 250 G N -0.259 108.548 108.800 0.012 0.000 2.432 250 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 250 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 250 G C 1.662 176.578 174.900 0.025 0.000 1.135 250 G CA 1.042 46.142 45.100 -0.001 0.000 0.767 250 G HN 0.588 nan 8.290 nan 0.000 0.550 251 C N 0.309 119.653 119.300 0.074 0.000 2.457 251 C HA 0.067 4.527 4.460 -0.000 0.000 0.278 251 C C 3.271 178.315 174.990 0.091 0.000 1.309 251 C CA 1.456 60.533 59.018 0.099 0.000 1.735 251 C CB -0.902 26.917 27.740 0.131 0.000 1.992 251 C HN 0.373 nan 8.230 nan 0.000 0.493 252 S N 0.766 116.514 115.700 0.080 0.000 2.348 252 S HA -0.184 4.286 4.470 -0.000 0.000 0.221 252 S C 1.745 176.407 174.600 0.104 0.000 1.033 252 S CA 2.064 60.310 58.200 0.076 0.000 1.010 252 S CB -0.406 62.823 63.200 0.048 0.000 0.891 252 S HN 0.646 nan 8.310 nan 0.000 0.442 253 M N 0.818 120.475 119.600 0.094 0.000 2.267 253 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 253 M C 2.267 178.739 176.300 0.286 0.000 1.063 253 M CA 1.443 56.824 55.300 0.134 0.000 1.090 253 M CB -0.646 32.006 32.600 0.086 0.000 1.392 253 M HN 0.453 nan 8.290 nan 0.000 0.422 254 G N -0.526 108.404 108.800 0.216 0.000 2.494 254 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 254 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 254 G C 1.338 176.412 174.900 0.290 0.000 1.140 254 G CA 0.109 45.362 45.100 0.255 0.000 0.801 254 G HN 0.442 nan 8.290 nan 0.000 0.536 255 E N -0.562 119.758 120.200 0.200 0.000 2.150 255 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 255 E C 1.822 178.498 176.600 0.126 0.000 0.985 255 E CA 0.392 56.873 56.400 0.136 0.000 0.814 255 E CB -0.188 29.565 29.700 0.088 0.000 0.752 255 E HN 0.590 nan 8.360 nan 0.000 0.466 256 Y N 0.392 120.701 120.300 0.014 0.000 2.114 256 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 256 Y C 1.685 177.458 175.900 -0.211 0.000 1.165 256 Y CA 1.843 59.855 58.100 -0.146 0.000 1.148 256 Y CB -0.299 37.988 38.460 -0.288 0.000 0.972 256 Y HN -0.031 nan 8.280 nan 0.000 0.504 257 F N 0.002 119.996 119.950 0.073 0.000 2.186 257 F HA -0.069 4.458 4.527 -0.000 0.000 0.299 257 F C 2.729 178.460 175.800 -0.114 0.000 1.090 257 F CA 1.632 59.603 58.000 -0.048 0.000 1.307 257 F CB -0.749 38.278 39.000 0.046 0.000 1.019 257 F HN -0.071 nan 8.300 nan 0.000 0.489 258 R N 0.533 121.104 120.500 0.118 0.000 2.091 258 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 258 R C 1.306 177.577 176.300 -0.049 0.000 1.136 258 R CA 2.087 58.201 56.100 0.023 0.000 0.959 258 R CB -0.313 30.013 30.300 0.044 0.000 0.856 258 R HN 0.184 nan 8.270 nan 0.000 0.437 259 D N -0.532 119.818 120.400 -0.083 0.000 2.327 259 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 259 D C 0.125 176.330 176.300 -0.158 0.000 0.989 259 D CA 0.706 54.653 54.000 -0.088 0.000 0.873 259 D CB 0.051 40.810 40.800 -0.069 0.000 0.955 259 D HN 0.252 nan 8.370 nan 0.000 0.515 260 N N -0.207 118.321 118.700 -0.287 0.000 2.558 260 N HA 0.330 5.070 4.740 -0.000 0.000 0.281 260 N C 0.925 176.299 175.510 -0.227 0.000 1.219 260 N CA 0.203 53.059 53.050 -0.324 0.000 0.942 260 N CB 0.973 39.102 38.487 -0.595 0.000 1.241 260 N HN 0.040 nan 8.380 nan 0.000 0.511 261 G N -0.351 108.352 108.800 -0.162 0.000 2.212 261 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.266 261 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.266 261 G C 0.357 175.154 174.900 -0.172 0.000 0.978 261 G CA 0.337 45.356 45.100 -0.136 0.000 0.632 261 G HN 0.247 nan 8.290 nan 0.000 0.537 262 K N 0.331 120.648 120.400 -0.138 0.000 2.209 262 K HA 0.575 4.895 4.320 -0.000 0.000 0.238 262 K C -0.178 176.311 176.600 -0.184 0.000 1.028 262 K CA -0.518 55.763 56.287 -0.011 0.000 0.935 262 K CB 0.599 33.241 32.500 0.238 0.000 1.162 262 K HN 0.443 nan 8.250 nan 0.000 0.485 263 H N -0.762 118.452 119.070 0.239 0.000 2.547 263 H HA 0.505 5.061 4.556 -0.000 0.000 0.342 263 H C -0.747 174.667 175.328 0.144 0.000 1.048 263 H CA -0.675 55.459 56.048 0.142 0.000 1.204 263 H CB 1.941 31.727 29.762 0.040 0.000 1.493 263 H HN 0.658 nan 8.280 nan 0.000 0.511 264 A N 2.812 125.732 122.820 0.167 0.000 2.387 264 A HA 0.647 4.967 4.320 -0.000 0.000 0.303 264 A C -1.290 176.294 177.584 0.001 0.000 1.145 264 A CA -0.710 51.334 52.037 0.013 0.000 0.801 264 A CB 1.866 20.822 19.000 -0.073 0.000 1.342 264 A HN 0.456 nan 8.150 nan 0.000 0.440 265 L N 0.977 122.170 121.223 -0.049 0.000 2.439 265 L HA 0.723 5.063 4.340 -0.000 0.000 0.270 265 L C -1.258 175.549 176.870 -0.104 0.000 0.972 265 L CA -0.246 54.560 54.840 -0.056 0.000 0.836 265 L CB 1.336 43.372 42.059 -0.038 0.000 1.255 265 L HN 0.704 nan 8.230 nan 0.000 0.404 266 I N 5.304 125.774 120.570 -0.167 0.000 2.441 266 I HA 0.582 4.752 4.170 -0.000 0.000 0.295 266 I C -1.142 174.708 176.117 -0.445 0.000 0.994 266 I CA -0.552 60.546 61.300 -0.337 0.000 1.144 266 I CB 1.395 39.124 38.000 -0.453 0.000 1.314 266 I HN 0.667 nan 8.210 nan 0.000 0.445 267 I N 7.623 127.897 120.570 -0.494 0.000 2.410 267 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 267 I C -1.315 174.427 176.117 -0.626 0.000 1.009 267 I CA -0.295 60.741 61.300 -0.439 0.000 1.111 267 I CB 1.343 39.220 38.000 -0.205 0.000 1.262 267 I HN 0.418 nan 8.210 nan 0.000 0.443 268 Y N 4.430 124.556 120.300 -0.290 0.000 2.504 268 Y HA 0.334 4.884 4.550 -0.000 0.000 0.339 268 Y C -0.040 175.669 175.900 -0.318 0.000 0.974 268 Y CA -0.600 57.306 58.100 -0.322 0.000 1.232 268 Y CB 0.644 38.918 38.460 -0.310 0.000 1.108 268 Y HN 0.392 nan 8.280 nan 0.000 0.509 269 D N 3.804 124.042 120.400 -0.271 0.000 2.438 269 D HA 0.170 4.810 4.640 -0.000 0.000 0.257 269 D C -1.195 175.031 176.300 -0.123 0.000 1.148 269 D CA -0.459 53.403 54.000 -0.231 0.000 0.902 269 D CB 0.419 40.987 40.800 -0.387 0.000 1.062 269 D HN 0.680 nan 8.370 nan 0.000 0.518 270 D N 0.475 120.838 120.400 -0.062 0.000 2.450 270 D HA 0.271 4.911 4.640 -0.000 0.000 0.238 270 D C 1.089 177.345 176.300 -0.074 0.000 1.020 270 D CA -0.756 53.205 54.000 -0.065 0.000 1.010 270 D CB 1.415 42.194 40.800 -0.037 0.000 1.342 270 D HN 0.063 nan 8.370 nan 0.000 0.530 271 L N 0.125 121.273 121.223 -0.125 0.000 2.313 271 L HA -0.047 4.293 4.340 -0.000 0.000 0.214 271 L C 1.801 178.660 176.870 -0.020 0.000 1.119 271 L CA 0.543 55.254 54.840 -0.214 0.000 0.809 271 L CB -0.295 41.442 42.059 -0.537 0.000 0.933 271 L HN 0.459 nan 8.230 nan 0.000 0.449 272 S N 0.122 115.828 115.700 0.010 0.000 2.368 272 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 272 S C 1.898 176.558 174.600 0.101 0.000 1.030 272 S CA 1.308 59.549 58.200 0.067 0.000 0.999 272 S CB -0.052 63.182 63.200 0.055 0.000 0.844 272 S HN 0.390 nan 8.310 nan 0.000 0.459 273 K N 0.848 121.294 120.400 0.075 0.000 2.217 273 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 273 K C 2.405 179.075 176.600 0.117 0.000 1.051 273 K CA 0.542 56.884 56.287 0.091 0.000 0.952 273 K CB -0.106 32.432 32.500 0.064 0.000 0.736 273 K HN 0.317 nan 8.250 nan 0.000 0.453 274 Q N 0.792 120.656 119.800 0.106 0.000 2.079 274 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 274 Q C 2.026 178.162 176.000 0.226 0.000 0.974 274 Q CA 1.442 57.335 55.803 0.149 0.000 0.840 274 Q CB -0.036 28.743 28.738 0.068 0.000 0.898 274 Q HN 0.300 nan 8.270 nan 0.000 0.430 275 A N 0.551 123.493 122.820 0.204 0.000 1.908 275 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 275 A C 2.163 179.941 177.584 0.323 0.000 1.181 275 A CA 1.847 53.983 52.037 0.166 0.000 0.627 275 A CB -1.111 17.862 19.000 -0.045 0.000 0.818 275 A HN 0.412 nan 8.150 nan 0.000 0.445 276 V N -1.122 118.964 119.914 0.286 0.000 2.427 276 V HA -0.038 4.082 4.120 -0.000 0.000 0.248 276 V C 2.496 178.690 176.094 0.167 0.000 1.051 276 V CA 2.134 64.577 62.300 0.237 0.000 1.048 276 V CB -1.035 30.883 31.823 0.160 0.000 0.666 276 V HN 0.590 nan 8.190 nan 0.000 0.456 277 A N -0.564 122.362 122.820 0.178 0.000 1.883 277 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 277 A C 2.220 179.900 177.584 0.160 0.000 1.186 277 A CA 2.271 54.406 52.037 0.163 0.000 0.624 277 A CB -1.208 17.916 19.000 0.206 0.000 0.822 277 A HN 0.824 nan 8.150 nan 0.000 0.444 278 Y N 0.312 120.665 120.300 0.088 0.000 2.293 278 Y HA -0.161 4.389 4.550 -0.000 0.000 0.291 278 Y C 2.500 178.408 175.900 0.013 0.000 1.137 278 Y CA 1.866 59.968 58.100 0.003 0.000 1.202 278 Y CB -0.328 38.163 38.460 0.052 0.000 0.990 278 Y HN 0.356 nan 8.280 nan 0.000 0.537 279 R N 0.157 120.706 120.500 0.082 0.000 2.081 279 R HA -0.232 4.108 4.340 -0.000 0.000 0.235 279 R C 2.435 178.671 176.300 -0.105 0.000 1.131 279 R CA 1.868 57.965 56.100 -0.005 0.000 0.960 279 R CB -0.386 29.946 30.300 0.054 0.000 0.856 279 R HN 0.515 nan 8.270 nan 0.000 0.436 280 Q N 0.160 119.924 119.800 -0.061 0.000 2.096 280 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 280 Q C 2.077 178.001 176.000 -0.126 0.000 0.982 280 Q CA 2.052 57.813 55.803 -0.071 0.000 0.850 280 Q CB -0.041 28.683 28.738 -0.025 0.000 0.901 280 Q HN 0.420 nan 8.270 nan 0.000 0.422 281 M N -0.324 119.164 119.600 -0.187 0.000 2.086 281 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 281 M C 2.258 178.376 176.300 -0.305 0.000 1.067 281 M CA 1.688 56.834 55.300 -0.257 0.000 1.116 281 M CB 0.066 32.451 32.600 -0.358 0.000 1.348 281 M HN 0.126 nan 8.290 nan 0.000 0.407 282 S N 0.382 115.831 115.700 -0.417 0.000 2.406 282 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 282 S C 1.788 176.278 174.600 -0.183 0.000 1.020 282 S CA 0.934 58.925 58.200 -0.349 0.000 0.965 282 S CB -0.272 62.683 63.200 -0.409 0.000 0.798 282 S HN 0.393 nan 8.310 nan 0.000 0.488 283 L N 0.659 121.793 121.223 -0.150 0.000 2.270 283 L HA 0.146 4.486 4.340 -0.000 0.000 0.210 283 L C 1.934 178.754 176.870 -0.084 0.000 1.104 283 L CA 0.550 55.332 54.840 -0.097 0.000 0.804 283 L CB -0.313 41.695 42.059 -0.085 0.000 0.937 283 L HN 0.265 nan 8.230 nan 0.000 0.450 284 L N -0.652 120.514 121.223 -0.095 0.000 2.240 284 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 284 L C 2.216 179.042 176.870 -0.074 0.000 1.106 284 L CA 0.837 55.631 54.840 -0.077 0.000 0.793 284 L CB -0.147 41.866 42.059 -0.077 0.000 0.927 284 L HN 0.277 nan 8.230 nan 0.000 0.446 285 L N -0.547 120.619 121.223 -0.094 0.000 2.478 285 L HA 0.010 4.350 4.340 -0.000 0.000 0.223 285 L C 0.669 177.503 176.870 -0.060 0.000 1.140 285 L CA 0.335 55.127 54.840 -0.080 0.000 0.842 285 L CB -0.004 41.993 42.059 -0.104 0.000 0.953 285 L HN 0.282 nan 8.230 nan 0.000 0.452 286 R N 0.022 120.486 120.500 -0.061 0.000 3.515 286 R HA -0.102 4.238 4.340 -0.000 0.000 0.292 286 R C -0.488 175.790 176.300 -0.036 0.000 1.148 286 R CA 0.149 56.224 56.100 -0.043 0.000 0.786 286 R CB -1.732 28.549 30.300 -0.031 0.000 1.327 286 R HN 0.249 nan 8.270 nan 0.000 0.454 287 R N 1.802 122.273 120.500 -0.047 0.000 2.265 287 R HA 0.210 4.550 4.340 -0.000 0.000 0.314 287 R C -1.993 174.299 176.300 -0.012 0.000 1.053 287 R CA -1.853 54.230 56.100 -0.029 0.000 0.931 287 R CB 0.552 30.827 30.300 -0.042 0.000 1.024 287 R HN -0.028 nan 8.270 nan 0.000 0.457 288 P HA 0.010 nan 4.420 nan 0.000 0.257 288 P C -2.257 175.061 177.300 0.030 0.000 1.189 288 P CA -0.747 62.361 63.100 0.013 0.000 0.780 288 P CB -0.223 31.488 31.700 0.019 0.000 0.772 289 P HA 0.157 nan 4.420 nan 0.000 0.275 289 P C 0.512 177.849 177.300 0.063 0.000 1.228 289 P CA 0.154 63.280 63.100 0.043 0.000 0.786 289 P CB 1.114 32.818 31.700 0.006 0.000 0.927 290 G N 2.303 111.173 108.800 0.118 0.000 3.271 290 G HA2 0.277 4.237 3.960 -0.000 0.000 0.174 290 G HA3 0.277 4.237 3.960 -0.000 0.000 0.174 290 G C -0.244 174.703 174.900 0.079 0.000 1.385 290 G CA -0.774 44.385 45.100 0.097 0.000 0.979 290 G HN 0.391 nan 8.290 nan 0.000 0.610 291 R N 0.917 121.432 120.500 0.025 0.000 2.640 291 R HA 0.106 4.446 4.340 -0.000 0.000 0.270 291 R C 0.008 176.425 176.300 0.195 0.000 1.024 291 R CA 0.579 56.679 56.100 0.001 0.000 1.085 291 R CB 0.110 30.244 30.300 -0.277 0.000 0.963 291 R HN 0.707 nan 8.270 nan 0.000 0.426 292 E N 1.243 121.506 120.200 0.104 0.000 2.325 292 E HA -0.342 4.008 4.350 -0.000 0.000 0.232 292 E C 0.437 176.936 176.600 -0.168 0.000 1.276 292 E CA 0.453 56.865 56.400 0.021 0.000 0.717 292 E CB -1.187 28.595 29.700 0.136 0.000 1.192 292 E HN 0.844 nan 8.360 nan 0.000 0.380 293 A N -2.103 120.680 122.820 -0.062 0.000 3.420 293 A HA -0.327 3.993 4.320 -0.000 0.000 0.269 293 A C 0.212 177.748 177.584 -0.081 0.000 1.122 293 A CA 1.754 53.736 52.037 -0.092 0.000 1.023 293 A CB -2.183 16.730 19.000 -0.144 0.000 1.099 293 A HN 0.505 nan 8.150 nan 0.000 0.860 294 Y N 0.889 121.276 120.300 0.143 0.000 2.497 294 Y HA 0.373 4.923 4.550 -0.000 0.000 0.334 294 Y C -1.217 174.772 175.900 0.148 0.000 1.199 294 Y CA -0.935 57.246 58.100 0.136 0.000 1.425 294 Y CB 0.390 38.936 38.460 0.144 0.000 1.291 294 Y HN 0.273 nan 8.280 nan 0.000 0.562 295 P HA 0.007 nan 4.420 nan 0.000 0.274 295 P C 0.619 178.061 177.300 0.237 0.000 1.231 295 P CA -0.008 63.202 63.100 0.183 0.000 0.790 295 P CB 1.084 32.840 31.700 0.094 0.000 0.951 296 G N 2.183 111.102 108.800 0.199 0.000 2.517 296 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.222 296 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.222 296 G C 0.703 175.738 174.900 0.225 0.000 1.109 296 G CA 0.897 46.122 45.100 0.209 0.000 0.746 296 G HN 0.678 nan 8.290 nan 0.000 0.576 297 D N 0.678 121.220 120.400 0.238 0.000 2.491 297 D HA 0.086 4.726 4.640 -0.000 0.000 0.228 297 D C 1.913 178.337 176.300 0.208 0.000 1.183 297 D CA 0.123 54.287 54.000 0.273 0.000 0.827 297 D CB -0.111 40.885 40.800 0.327 0.000 0.989 297 D HN 0.264 nan 8.370 nan 0.000 0.494 298 V N -1.390 118.580 119.914 0.092 0.000 2.427 298 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 298 V C 2.307 178.248 176.094 -0.254 0.000 1.051 298 V CA 0.894 63.096 62.300 -0.164 0.000 1.048 298 V CB -1.362 30.188 31.823 -0.455 0.000 0.666 298 V HN 0.170 nan 8.190 nan 0.000 0.456 299 F N 0.725 120.555 119.950 -0.199 0.000 2.134 299 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 299 F C 2.407 178.215 175.800 0.012 0.000 1.097 299 F CA 1.978 59.916 58.000 -0.104 0.000 1.264 299 F CB -0.470 38.531 39.000 0.001 0.000 1.001 299 F HN 0.189 nan 8.300 nan 0.000 0.479 300 Y N 0.725 121.035 120.300 0.016 0.000 2.181 300 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 300 Y C 2.198 178.011 175.900 -0.144 0.000 1.146 300 Y CA 1.640 59.712 58.100 -0.047 0.000 1.164 300 Y CB -1.068 37.435 38.460 0.070 0.000 0.982 300 Y HN 0.219 nan 8.280 nan 0.000 0.515 301 L N -0.256 120.804 121.223 -0.272 0.000 2.051 301 L HA -0.313 4.027 4.340 -0.000 0.000 0.214 301 L C 2.221 178.989 176.870 -0.170 0.000 1.076 301 L CA 2.476 57.110 54.840 -0.343 0.000 0.758 301 L CB -0.660 41.114 42.059 -0.476 0.000 0.890 301 L HN 0.396 nan 8.230 nan 0.000 0.433 302 H N -2.437 116.421 119.070 -0.354 0.000 2.486 302 H HA 0.024 4.580 4.556 -0.000 0.000 0.287 302 H C 2.341 177.426 175.328 -0.404 0.000 1.010 302 H CA 0.595 56.406 56.048 -0.394 0.000 1.324 302 H CB 0.236 29.767 29.762 -0.384 0.000 1.446 302 H HN 0.520 nan 8.280 nan 0.000 0.537 303 S N 1.705 117.185 115.700 -0.368 0.000 2.345 303 S HA -0.217 4.253 4.470 -0.000 0.000 0.220 303 S C 2.153 176.654 174.600 -0.164 0.000 1.031 303 S CA 1.094 59.070 58.200 -0.373 0.000 0.996 303 S CB -0.299 62.545 63.200 -0.594 0.000 0.882 303 S HN 0.503 nan 8.310 nan 0.000 0.445 304 R N 1.134 121.554 120.500 -0.134 0.000 2.105 304 R HA -0.013 4.327 4.340 -0.000 0.000 0.239 304 R C 2.377 178.643 176.300 -0.057 0.000 1.135 304 R CA 1.488 57.541 56.100 -0.079 0.000 0.967 304 R CB -0.899 29.274 30.300 -0.211 0.000 0.861 304 R HN 0.471 nan 8.270 nan 0.000 0.442 305 L N 1.116 122.297 121.223 -0.070 0.000 1.988 305 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 305 L C 2.172 178.956 176.870 -0.143 0.000 1.071 305 L CA 1.603 56.379 54.840 -0.107 0.000 0.744 305 L CB -0.314 41.521 42.059 -0.374 0.000 0.893 305 L HN 0.236 nan 8.230 nan 0.000 0.433 306 L N -0.313 120.793 121.223 -0.194 0.000 2.549 306 L HA -0.082 4.258 4.340 -0.000 0.000 0.229 306 L C 2.255 179.086 176.870 -0.065 0.000 1.158 306 L CA 0.479 55.234 54.840 -0.141 0.000 0.842 306 L CB -0.441 41.511 42.059 -0.178 0.000 0.952 306 L HN 0.427 nan 8.230 nan 0.000 0.452 307 E N -0.009 120.159 120.200 -0.053 0.000 2.318 307 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 307 E C 1.955 178.550 176.600 -0.009 0.000 0.998 307 E CA 0.287 56.673 56.400 -0.023 0.000 0.859 307 E CB 0.271 29.965 29.700 -0.010 0.000 0.812 307 E HN 0.479 nan 8.360 nan 0.000 0.492 308 R N 0.662 121.161 120.500 -0.003 0.000 2.235 308 R HA 0.063 4.403 4.340 -0.000 0.000 0.213 308 R C 0.878 177.191 176.300 0.021 0.000 1.059 308 R CA 0.375 56.483 56.100 0.013 0.000 0.997 308 R CB 0.075 30.392 30.300 0.029 0.000 0.884 308 R HN -0.095 nan 8.270 nan 0.000 0.462 309 A N 1.274 124.108 122.820 0.023 0.000 2.347 309 A HA 0.616 4.936 4.320 -0.000 0.000 0.287 309 A C -0.222 177.370 177.584 0.012 0.000 1.199 309 A CA -0.060 51.992 52.037 0.026 0.000 0.851 309 A CB 0.335 19.355 19.000 0.032 0.000 1.118 309 A HN 0.288 nan 8.150 nan 0.000 0.525 310 A N 2.544 125.371 122.820 0.013 0.000 2.609 310 A HA 0.751 5.071 4.320 -0.000 0.000 0.291 310 A C -0.796 176.796 177.584 0.014 0.000 1.096 310 A CA -0.788 51.251 52.037 0.003 0.000 0.684 310 A CB 1.134 20.123 19.000 -0.018 0.000 1.282 310 A HN 0.811 nan 8.150 nan 0.000 0.412 311 K N 1.614 122.021 120.400 0.012 0.000 2.293 311 K HA 0.577 4.896 4.320 -0.000 0.000 0.267 311 K C -0.588 176.017 176.600 0.009 0.000 1.010 311 K CA -0.323 55.982 56.287 0.029 0.000 0.875 311 K CB 0.420 32.942 32.500 0.036 0.000 1.106 311 K HN 0.601 nan 8.250 nan 0.000 0.450 312 M N 3.051 122.658 119.600 0.012 0.000 2.235 312 M HA 0.207 4.687 4.480 -0.000 0.000 0.351 312 M C 0.138 176.471 176.300 0.055 0.000 1.178 312 M CA -0.692 54.614 55.300 0.010 0.000 1.143 312 M CB 0.134 32.751 32.600 0.029 0.000 1.530 312 M HN 0.695 nan 8.290 nan 0.000 0.461 313 N N 1.160 119.908 118.700 0.081 0.000 2.424 313 N HA 0.087 4.827 4.740 -0.000 0.000 0.257 313 N C 0.141 175.727 175.510 0.126 0.000 1.250 313 N CA -0.333 52.779 53.050 0.104 0.000 0.946 313 N CB 0.471 39.024 38.487 0.110 0.000 1.175 313 N HN 0.427 nan 8.380 nan 0.000 0.477 314 D N -0.021 120.429 120.400 0.084 0.000 2.172 314 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 314 D C 1.616 177.941 176.300 0.041 0.000 0.999 314 D CA 1.970 56.003 54.000 0.054 0.000 0.856 314 D CB -0.566 40.255 40.800 0.033 0.000 0.934 314 D HN 0.749 nan 8.370 nan 0.000 0.453 315 A N -0.393 122.461 122.820 0.057 0.000 2.076 315 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 315 A C 1.423 178.883 177.584 -0.208 0.000 1.160 315 A CA 0.900 52.906 52.037 -0.051 0.000 0.653 315 A CB -0.509 18.480 19.000 -0.019 0.000 0.801 315 A HN 0.193 nan 8.150 nan 0.000 0.455 316 F N -1.802 118.134 119.950 -0.024 0.000 2.698 316 F HA 0.427 4.954 4.527 -0.000 0.000 0.304 316 F C 1.576 177.346 175.800 -0.050 0.000 1.108 316 F CA 0.553 58.532 58.000 -0.034 0.000 1.263 316 F CB 0.914 39.897 39.000 -0.028 0.000 1.013 316 F HN 0.310 nan 8.300 nan 0.000 0.532 317 G N -0.573 108.262 108.800 0.059 0.000 2.231 317 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.206 317 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.206 317 G C 1.216 176.111 174.900 -0.008 0.000 0.996 317 G CA -0.185 44.914 45.100 -0.002 0.000 0.645 317 G HN 0.997 nan 8.290 nan 0.000 0.498 318 G N -0.309 108.508 108.800 0.029 0.000 2.155 318 G HA2 0.152 4.112 3.960 -0.000 0.000 0.257 318 G HA3 0.152 4.112 3.960 -0.000 0.000 0.257 318 G C 1.534 176.409 174.900 -0.042 0.000 0.983 318 G CA 1.165 46.282 45.100 0.027 0.000 0.676 318 G HN 2.060 nan 8.290 nan 0.000 0.528 319 G N -0.579 108.144 108.800 -0.128 0.000 2.570 319 G HA2 0.737 4.697 3.960 -0.000 0.000 0.276 319 G HA3 0.737 4.697 3.960 -0.000 0.000 0.276 319 G C 0.318 175.139 174.900 -0.133 0.000 1.346 319 G CA 0.945 45.857 45.100 -0.313 0.000 1.034 319 G HN 1.928 nan 8.290 nan 0.000 0.512 320 S N -1.992 113.661 115.700 -0.078 0.000 2.558 320 S HA 0.505 4.975 4.470 -0.000 0.000 0.277 320 S C -1.590 173.066 174.600 0.094 0.000 1.143 320 S CA -0.793 57.462 58.200 0.090 0.000 0.865 320 S CB 1.680 65.028 63.200 0.247 0.000 1.102 320 S HN 1.031 nan 8.310 nan 0.000 0.454 321 L N 1.508 122.772 121.223 0.069 0.000 2.362 321 L HA 0.840 5.180 4.340 -0.000 0.000 0.275 321 L C -0.786 176.106 176.870 0.037 0.000 0.998 321 L CA 0.214 55.089 54.840 0.058 0.000 0.820 321 L CB 2.053 44.144 42.059 0.055 0.000 1.270 321 L HN 0.961 nan 8.230 nan 0.000 0.415 322 T N 4.301 118.865 114.554 0.018 0.000 2.792 322 T HA 0.819 5.169 4.350 -0.000 0.000 0.280 322 T C -0.581 174.104 174.700 -0.024 0.000 0.990 322 T CA -0.358 61.741 62.100 -0.001 0.000 0.960 322 T CB 1.426 70.289 68.868 -0.009 0.000 0.939 322 T HN 0.792 nan 8.240 nan 0.000 0.439 323 A N 3.668 126.482 122.820 -0.010 0.000 2.303 323 A HA 0.756 5.076 4.320 -0.000 0.000 0.320 323 A C -0.437 177.136 177.584 -0.018 0.000 1.192 323 A CA -0.680 51.353 52.037 -0.006 0.000 0.821 323 A CB 0.370 19.428 19.000 0.097 0.000 1.188 323 A HN 0.874 nan 8.150 nan 0.000 0.492 324 L N 5.040 126.230 121.223 -0.056 0.000 2.435 324 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 324 L C -2.319 174.527 176.870 -0.039 0.000 1.087 324 L CA -1.733 53.077 54.840 -0.050 0.000 0.950 324 L CB 1.452 43.477 42.059 -0.057 0.000 1.304 324 L HN 0.483 nan 8.230 nan 0.000 0.453 325 P HA 0.161 nan 4.420 nan 0.000 0.279 325 P C -0.483 176.774 177.300 -0.071 0.000 1.239 325 P CA -0.192 62.912 63.100 0.007 0.000 0.789 325 P CB 1.947 33.604 31.700 -0.071 0.000 0.933 326 V N 4.750 124.616 119.914 -0.080 0.000 2.427 326 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 326 V C 0.408 176.451 176.094 -0.086 0.000 1.034 326 V CA -0.496 61.755 62.300 -0.082 0.000 0.893 326 V CB 1.317 33.100 31.823 -0.067 0.000 0.982 326 V HN 0.406 nan 8.190 nan 0.000 0.452 327 I N 3.759 124.281 120.570 -0.079 0.000 2.418 327 I HA 0.376 4.546 4.170 -0.000 0.000 0.287 327 I C 0.116 176.214 176.117 -0.030 0.000 1.008 327 I CA -0.413 60.855 61.300 -0.054 0.000 1.104 327 I CB 1.839 39.805 38.000 -0.057 0.000 1.264 327 I HN 0.771 nan 8.210 nan 0.000 0.438 328 E N 5.689 125.886 120.200 -0.004 0.000 2.089 328 E HA 0.295 4.645 4.350 -0.000 0.000 0.284 328 E C -0.378 176.242 176.600 0.035 0.000 1.023 328 E CA -0.342 56.065 56.400 0.012 0.000 0.819 328 E CB 0.855 30.567 29.700 0.020 0.000 1.076 328 E HN 0.678 nan 8.360 nan 0.000 0.396 329 T N 2.121 116.699 114.554 0.040 0.000 2.899 329 T HA 0.248 4.598 4.350 -0.000 0.000 0.284 329 T C 0.100 174.837 174.700 0.061 0.000 1.004 329 T CA -1.041 61.096 62.100 0.062 0.000 1.043 329 T CB 1.449 70.364 68.868 0.078 0.000 1.013 329 T HN 0.348 nan 8.240 nan 0.000 0.518 330 Q N 0.873 120.714 119.800 0.069 0.000 2.296 330 Q HA 0.482 4.821 4.340 -0.000 0.000 0.257 330 Q C 0.764 176.800 176.000 0.059 0.000 0.942 330 Q CA 0.099 55.939 55.803 0.061 0.000 0.939 330 Q CB 0.940 29.715 28.738 0.063 0.000 1.198 330 Q HN 1.192 nan 8.270 nan 0.000 0.429 331 A N 2.645 125.496 122.820 0.052 0.000 2.704 331 A HA -0.172 4.148 4.320 -0.000 0.000 0.299 331 A C 1.152 178.768 177.584 0.053 0.000 1.507 331 A CA 1.378 53.444 52.037 0.047 0.000 0.776 331 A CB -2.122 16.901 19.000 0.038 0.000 1.027 331 A HN 1.522 nan 8.150 nan 0.000 0.475 332 G N -1.245 107.595 108.800 0.067 0.000 2.148 332 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.254 332 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.254 332 G C 0.047 174.999 174.900 0.086 0.000 0.981 332 G CA 0.978 46.127 45.100 0.081 0.000 0.670 332 G HN 1.500 nan 8.290 nan 0.000 0.528 333 D N 0.956 121.405 120.400 0.082 0.000 2.671 333 D HA 0.290 4.930 4.640 -0.000 0.000 0.228 333 D C 1.803 178.168 176.300 0.108 0.000 1.102 333 D CA 0.425 54.475 54.000 0.085 0.000 1.044 333 D CB -0.198 40.648 40.800 0.077 0.000 1.113 333 D HN 0.743 nan 8.370 nan 0.000 0.480 334 V N 0.022 120.016 119.914 0.134 0.000 3.387 334 V HA 0.191 4.311 4.120 -0.000 0.000 0.353 334 V C 1.002 177.183 176.094 0.144 0.000 1.193 334 V CA 0.195 62.599 62.300 0.175 0.000 1.379 334 V CB -0.179 31.837 31.823 0.322 0.000 1.157 334 V HN 0.211 nan 8.190 nan 0.000 0.431 335 S N -0.243 115.525 115.700 0.114 0.000 2.728 335 S HA 0.620 5.090 4.470 -0.000 0.000 0.257 335 S C 1.174 175.837 174.600 0.105 0.000 1.060 335 S CA 0.317 58.576 58.200 0.098 0.000 1.126 335 S CB 0.529 63.772 63.200 0.071 0.000 1.099 335 S HN 0.972 nan 8.310 nan 0.000 0.617 336 A N 0.321 123.215 122.820 0.123 0.000 2.310 336 A HA 0.465 4.785 4.320 -0.000 0.000 0.260 336 A C 0.723 178.438 177.584 0.217 0.000 1.112 336 A CA -0.083 52.046 52.037 0.154 0.000 0.804 336 A CB -0.270 18.826 19.000 0.159 0.000 1.081 336 A HN 0.514 nan 8.150 nan 0.000 0.499 337 Y N -0.298 120.055 120.300 0.087 0.000 2.030 337 Y HA -0.264 4.286 4.550 -0.000 0.000 0.274 337 Y C 1.998 177.907 175.900 0.015 0.000 1.153 337 Y CA 1.913 60.050 58.100 0.063 0.000 1.115 337 Y CB -0.051 38.471 38.460 0.104 0.000 0.969 337 Y HN 0.500 nan 8.280 nan 0.000 0.488 338 I N 0.193 120.784 120.570 0.035 0.000 2.252 338 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 338 I C -0.694 175.434 176.117 0.018 0.000 1.102 338 I CA 1.180 62.406 61.300 -0.123 0.000 1.385 338 I CB -2.838 35.047 38.000 -0.193 0.000 1.064 338 I HN 0.216 nan 8.210 nan 0.000 0.414 339 P HA -0.131 nan 4.420 nan 0.000 0.215 339 P C 1.781 179.137 177.300 0.093 0.000 1.157 339 P CA 2.204 65.345 63.100 0.069 0.000 0.868 339 P CB -0.254 31.500 31.700 0.090 0.000 0.788 340 T N -4.310 110.324 114.554 0.133 0.000 2.951 340 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 340 T C 1.609 176.412 174.700 0.172 0.000 1.073 340 T CA 1.187 63.375 62.100 0.147 0.000 1.134 340 T CB -1.275 67.682 68.868 0.149 0.000 0.884 340 T HN 0.164 nan 8.240 nan 0.000 0.479 341 N N 1.024 119.837 118.700 0.189 0.000 2.028 341 N HA -0.079 4.661 4.740 -0.000 0.000 0.194 341 N C 1.846 177.471 175.510 0.192 0.000 1.050 341 N CA 1.370 54.581 53.050 0.268 0.000 0.848 341 N CB -0.344 38.241 38.487 0.164 0.000 1.038 341 N HN 0.110 nan 8.380 nan 0.000 0.423 342 V N 1.698 121.666 119.914 0.089 0.000 2.392 342 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 342 V C 2.103 178.210 176.094 0.021 0.000 1.059 342 V CA 1.413 63.724 62.300 0.017 0.000 1.051 342 V CB -0.520 31.283 31.823 -0.033 0.000 0.658 342 V HN 0.315 nan 8.190 nan 0.000 0.455 343 I N 1.045 121.643 120.570 0.048 0.000 2.163 343 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 343 I C 2.241 178.409 176.117 0.086 0.000 1.085 343 I CA 2.025 63.359 61.300 0.056 0.000 1.347 343 I CB -0.361 37.693 38.000 0.090 0.000 1.044 343 I HN 0.463 nan 8.210 nan 0.000 0.408 344 S N -0.524 115.257 115.700 0.135 0.000 2.754 344 S HA 0.212 4.682 4.470 -0.000 0.000 0.223 344 S C 1.289 176.009 174.600 0.201 0.000 0.951 344 S CA 0.121 58.421 58.200 0.166 0.000 0.954 344 S CB -0.298 63.012 63.200 0.183 0.000 0.780 344 S HN 0.425 nan 8.310 nan 0.000 0.509 345 I N 0.967 121.611 120.570 0.122 0.000 4.033 345 I HA 0.074 4.244 4.170 -0.000 0.000 0.296 345 I C 1.298 177.423 176.117 0.014 0.000 1.210 345 I CA 0.480 61.812 61.300 0.053 0.000 1.341 345 I CB 0.245 38.204 38.000 -0.069 0.000 1.369 345 I HN 0.334 nan 8.210 nan 0.000 0.453 346 T N -2.091 112.463 114.554 0.001 0.000 2.810 346 T HA 0.162 4.511 4.350 -0.000 0.000 0.277 346 T C 0.510 175.216 174.700 0.010 0.000 0.973 346 T CA -0.411 61.683 62.100 -0.010 0.000 0.949 346 T CB 0.982 69.830 68.868 -0.033 0.000 1.075 346 T HN -0.014 nan 8.240 nan 0.000 0.537 347 D N -0.241 120.162 120.400 0.005 0.000 2.346 347 D HA 0.292 4.932 4.640 -0.000 0.000 0.206 347 D C 1.018 177.331 176.300 0.020 0.000 1.001 347 D CA 0.557 54.567 54.000 0.015 0.000 0.871 347 D CB 0.261 41.068 40.800 0.011 0.000 0.943 347 D HN 0.841 nan 8.370 nan 0.000 0.518 348 G N -0.214 108.592 108.800 0.010 0.000 2.488 348 G HA2 0.459 4.419 3.960 -0.000 0.000 0.301 348 G HA3 0.459 4.419 3.960 -0.000 0.000 0.301 348 G C -1.945 172.943 174.900 -0.020 0.000 1.339 348 G CA -0.730 44.381 45.100 0.019 0.000 0.803 348 G HN -0.070 nan 8.290 nan 0.000 0.482 349 Q N -0.736 119.053 119.800 -0.018 0.000 2.331 349 Q HA 0.660 5.000 4.340 -0.000 0.000 0.272 349 Q C -0.883 175.052 176.000 -0.108 0.000 1.062 349 Q CA -0.429 55.274 55.803 -0.166 0.000 0.806 349 Q CB 2.942 31.421 28.738 -0.432 0.000 1.312 349 Q HN 0.531 nan 8.270 nan 0.000 0.431 350 I N 2.505 122.977 120.570 -0.163 0.000 2.312 350 I HA 0.349 4.519 4.170 -0.000 0.000 0.290 350 I C -0.923 175.107 176.117 -0.144 0.000 1.008 350 I CA -0.373 60.889 61.300 -0.064 0.000 1.226 350 I CB 0.493 38.472 38.000 -0.035 0.000 1.371 350 I HN 0.487 nan 8.210 nan 0.000 0.468 351 F N 6.929 126.888 119.950 0.014 0.000 2.410 351 F HA 0.498 5.025 4.527 -0.000 0.000 0.349 351 F C -0.092 175.716 175.800 0.014 0.000 1.117 351 F CA -0.438 57.571 58.000 0.015 0.000 1.104 351 F CB 1.022 40.035 39.000 0.021 0.000 1.122 351 F HN 0.137 nan 8.300 nan 0.000 0.483 352 L N 4.181 125.506 121.223 0.170 0.000 2.341 352 L HA 0.532 4.872 4.340 -0.000 0.000 0.278 352 L C -0.697 176.239 176.870 0.110 0.000 1.005 352 L CA -0.767 54.132 54.840 0.099 0.000 0.818 352 L CB 1.913 43.976 42.059 0.007 0.000 1.259 352 L HN 0.556 nan 8.230 nan 0.000 0.418 353 E N 1.165 121.430 120.200 0.108 0.000 2.199 353 E HA 0.285 4.635 4.350 -0.000 0.000 0.269 353 E C -0.025 176.652 176.600 0.129 0.000 0.899 353 E CA -0.604 55.862 56.400 0.111 0.000 0.772 353 E CB 2.391 32.156 29.700 0.108 0.000 1.155 353 E HN 0.522 nan 8.360 nan 0.000 0.408 354 T N 1.515 116.142 114.554 0.122 0.000 2.720 354 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 354 T C 1.415 176.243 174.700 0.214 0.000 1.037 354 T CA 1.094 63.297 62.100 0.173 0.000 1.144 354 T CB -0.001 68.939 68.868 0.119 0.000 0.864 354 T HN 0.422 nan 8.240 nan 0.000 0.444 355 E N 0.944 121.231 120.200 0.145 0.000 2.068 355 E HA -0.162 4.188 4.350 -0.000 0.000 0.207 355 E C 2.250 178.967 176.600 0.195 0.000 1.032 355 E CA 1.318 57.800 56.400 0.138 0.000 0.839 355 E CB -0.422 29.333 29.700 0.092 0.000 0.758 355 E HN 0.473 nan 8.360 nan 0.000 0.457 356 L N -0.259 121.076 121.223 0.187 0.000 2.156 356 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 356 L C 2.477 179.491 176.870 0.240 0.000 1.095 356 L CA 0.479 55.430 54.840 0.184 0.000 0.770 356 L CB -0.378 41.775 42.059 0.156 0.000 0.914 356 L HN 0.065 nan 8.230 nan 0.000 0.439 357 F N 0.149 120.160 119.950 0.101 0.000 2.069 357 F HA -0.312 4.215 4.527 -0.000 0.000 0.298 357 F C 2.593 178.457 175.800 0.107 0.000 1.113 357 F CA 1.526 59.580 58.000 0.090 0.000 1.214 357 F CB -0.732 38.322 39.000 0.091 0.000 0.978 357 F HN 0.003 nan 8.300 nan 0.000 0.474 358 Y N 1.097 121.415 120.300 0.031 0.000 2.081 358 Y HA -0.310 4.240 4.550 -0.000 0.000 0.280 358 Y C 2.461 178.315 175.900 -0.077 0.000 1.163 358 Y CA 2.539 60.598 58.100 -0.069 0.000 1.135 358 Y CB -0.589 37.881 38.460 0.017 0.000 0.970 358 Y HN 0.034 nan 8.280 nan 0.000 0.498 359 K N -0.738 119.707 120.400 0.076 0.000 2.103 359 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 359 K C 1.265 177.806 176.600 -0.098 0.000 1.048 359 K CA 1.346 57.630 56.287 -0.006 0.000 0.930 359 K CB -0.486 32.066 32.500 0.086 0.000 0.716 359 K HN 0.598 nan 8.250 nan 0.000 0.444 360 G N 0.234 108.978 108.800 -0.093 0.000 2.145 360 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.145 360 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.145 360 G C -0.206 174.687 174.900 -0.012 0.000 1.017 360 G CA -0.589 44.452 45.100 -0.099 0.000 0.682 360 G HN 0.072 nan 8.290 nan 0.000 0.504 361 I N 1.515 122.112 120.570 0.045 0.000 2.260 361 I HA 0.349 4.519 4.170 -0.000 0.000 0.297 361 I C 0.605 176.800 176.117 0.130 0.000 1.143 361 I CA 0.186 61.535 61.300 0.082 0.000 1.271 361 I CB -0.129 37.931 38.000 0.099 0.000 1.461 361 I HN 0.136 nan 8.210 nan 0.000 0.530 362 R N 7.381 127.945 120.500 0.106 0.000 2.476 362 R HA 0.437 4.777 4.340 -0.000 0.000 0.305 362 R C -2.586 173.765 176.300 0.085 0.000 0.965 362 R CA -1.572 54.616 56.100 0.146 0.000 0.867 362 R CB 2.255 32.649 30.300 0.156 0.000 1.176 362 R HN 0.296 nan 8.270 nan 0.000 0.447 363 P HA 0.060 nan 4.420 nan 0.000 0.274 363 P C -0.457 176.907 177.300 0.107 0.000 1.231 363 P CA -0.339 62.812 63.100 0.085 0.000 0.790 363 P CB 1.120 32.844 31.700 0.039 0.000 0.951 364 A N 3.196 126.086 122.820 0.117 0.000 2.840 364 A HA 0.234 4.554 4.320 -0.000 0.000 0.269 364 A C 0.562 178.206 177.584 0.101 0.000 1.439 364 A CA -0.288 51.833 52.037 0.141 0.000 1.083 364 A CB -1.504 17.601 19.000 0.175 0.000 1.019 364 A HN 0.436 nan 8.150 nan 0.000 0.607 365 I N 0.981 121.604 120.570 0.089 0.000 2.441 365 I HA 0.042 4.212 4.170 -0.000 0.000 0.287 365 I C 0.568 176.748 176.117 0.104 0.000 1.049 365 I CA -0.240 61.116 61.300 0.093 0.000 1.381 365 I CB 0.685 38.730 38.000 0.076 0.000 1.409 365 I HN 0.284 nan 8.210 nan 0.000 0.523 366 N N 6.156 124.931 118.700 0.125 0.000 2.399 366 N HA 0.038 4.778 4.740 -0.000 0.000 0.259 366 N C 0.612 176.181 175.510 0.099 0.000 1.160 366 N CA -0.150 52.960 53.050 0.101 0.000 0.946 366 N CB 1.162 39.698 38.487 0.081 0.000 1.156 366 N HN 0.481 nan 8.380 nan 0.000 0.489 367 V N 1.764 121.727 119.914 0.080 0.000 3.646 367 V HA 0.319 4.439 4.120 -0.000 0.000 0.277 367 V C 1.481 177.611 176.094 0.060 0.000 1.274 367 V CA 0.953 63.297 62.300 0.073 0.000 1.164 367 V CB -0.096 31.765 31.823 0.065 0.000 0.926 367 V HN 0.512 nan 8.190 nan 0.000 0.442 368 G N -0.129 108.698 108.800 0.044 0.000 2.709 368 G HA2 0.202 4.162 3.960 -0.000 0.000 0.208 368 G HA3 0.202 4.162 3.960 -0.000 0.000 0.208 368 G C 1.243 176.139 174.900 -0.008 0.000 1.129 368 G CA 0.296 45.408 45.100 0.020 0.000 0.793 368 G HN 0.447 nan 8.290 nan 0.000 0.524 369 L N 0.808 122.010 121.223 -0.035 0.000 2.221 369 L HA 0.185 4.525 4.340 -0.000 0.000 0.202 369 L C 1.231 178.135 176.870 0.056 0.000 1.074 369 L CA 0.031 54.794 54.840 -0.129 0.000 0.795 369 L CB -0.342 41.436 42.059 -0.468 0.000 0.960 369 L HN -0.001 nan 8.230 nan 0.000 0.458 370 S N 0.577 116.405 115.700 0.213 0.000 2.561 370 S HA 0.207 4.677 4.470 -0.000 0.000 0.294 370 S C -0.128 174.575 174.600 0.171 0.000 1.294 370 S CA -0.203 58.175 58.200 0.295 0.000 1.055 370 S CB 0.771 64.095 63.200 0.206 0.000 0.819 370 S HN 0.125 nan 8.310 nan 0.000 0.503 371 V N 0.380 120.389 119.914 0.158 0.000 3.049 371 V HA 0.881 5.001 4.120 -0.000 0.000 0.309 371 V C -0.174 175.961 176.094 0.068 0.000 1.148 371 V CA -0.801 61.559 62.300 0.099 0.000 0.990 371 V CB 2.142 34.025 31.823 0.100 0.000 1.039 371 V HN 0.716 nan 8.190 nan 0.000 0.430 372 S N 0.780 116.510 115.700 0.049 0.000 2.777 372 S HA 0.301 4.771 4.470 -0.000 0.000 0.140 372 S C 0.786 175.403 174.600 0.028 0.000 1.233 372 S CA -0.580 57.639 58.200 0.032 0.000 1.157 372 S CB 0.296 63.510 63.200 0.025 0.000 1.600 372 S HN 0.761 nan 8.310 nan 0.000 0.432 373 R N 0.830 121.347 120.500 0.030 0.000 2.120 373 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 373 R C 2.202 178.513 176.300 0.019 0.000 1.123 373 R CA 1.757 57.873 56.100 0.026 0.000 0.975 373 R CB -1.104 29.213 30.300 0.028 0.000 0.866 373 R HN 0.646 nan 8.270 nan 0.000 0.446 374 V N -2.334 117.590 119.914 0.017 0.000 3.217 374 V HA 0.169 4.289 4.120 -0.000 0.000 0.264 374 V C 1.818 177.917 176.094 0.007 0.000 1.135 374 V CA 1.650 63.957 62.300 0.012 0.000 1.142 374 V CB -0.531 31.299 31.823 0.011 0.000 0.754 374 V HN 0.192 nan 8.190 nan 0.000 0.484 375 G N 0.130 108.935 108.800 0.008 0.000 2.712 375 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.212 375 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.212 375 G C 1.610 176.512 174.900 0.005 0.000 1.142 375 G CA 0.900 46.002 45.100 0.003 0.000 0.789 375 G HN 0.601 nan 8.290 nan 0.000 0.535 376 S N 1.020 116.726 115.700 0.010 0.000 2.368 376 S HA 0.066 4.536 4.470 -0.000 0.000 0.224 376 S C 2.696 177.301 174.600 0.007 0.000 1.029 376 S CA 1.597 59.804 58.200 0.011 0.000 0.988 376 S CB -0.362 62.847 63.200 0.015 0.000 0.838 376 S HN 0.444 nan 8.310 nan 0.000 0.462 377 A N 0.952 123.776 122.820 0.006 0.000 1.972 377 A HA 0.388 4.708 4.320 -0.000 0.000 0.219 377 A C 1.989 179.571 177.584 -0.003 0.000 1.169 377 A CA 1.420 53.459 52.037 0.003 0.000 0.635 377 A CB -0.919 18.083 19.000 0.004 0.000 0.810 377 A HN 0.888 nan 8.150 nan 0.000 0.446 378 A N -0.884 121.932 122.820 -0.007 0.000 2.579 378 A HA 0.385 4.705 4.320 -0.000 0.000 0.273 378 A C 0.508 178.080 177.584 -0.020 0.000 1.363 378 A CA -0.213 51.812 52.037 -0.019 0.000 0.953 378 A CB -0.300 18.684 19.000 -0.026 0.000 1.034 378 A HN 0.549 nan 8.150 nan 0.000 0.536 379 Q N 0.810 120.605 119.800 -0.009 0.000 2.309 379 Q HA 0.387 4.727 4.340 -0.000 0.000 0.264 379 Q C -0.479 175.521 176.000 -0.001 0.000 1.008 379 Q CA -0.536 55.265 55.803 -0.003 0.000 0.853 379 Q CB 1.447 30.189 28.738 0.006 0.000 1.314 379 Q HN 0.487 nan 8.270 nan 0.000 0.448 380 T N 1.186 115.740 114.554 0.001 0.000 2.940 380 T HA 0.018 4.368 4.350 -0.000 0.000 0.309 380 T C 0.901 175.608 174.700 0.012 0.000 1.056 380 T CA -0.449 61.654 62.100 0.004 0.000 1.137 380 T CB 0.882 69.756 68.868 0.010 0.000 0.976 380 T HN 0.635 nan 8.240 nan 0.000 0.547 381 R N 2.325 122.831 120.500 0.011 0.000 2.120 381 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 381 R C 2.384 178.698 176.300 0.023 0.000 1.123 381 R CA 1.844 57.953 56.100 0.016 0.000 0.975 381 R CB -1.290 29.018 30.300 0.013 0.000 0.866 381 R HN 0.829 nan 8.270 nan 0.000 0.446 382 A N 0.405 123.238 122.820 0.021 0.000 1.873 382 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 382 A C 2.144 179.752 177.584 0.040 0.000 1.193 382 A CA 2.025 54.078 52.037 0.027 0.000 0.629 382 A CB -0.675 18.335 19.000 0.017 0.000 0.826 382 A HN 0.440 nan 8.150 nan 0.000 0.447 383 M N -0.223 119.398 119.600 0.036 0.000 2.059 383 M HA -0.094 4.386 4.480 -0.000 0.000 0.259 383 M C 1.928 178.253 176.300 0.041 0.000 1.072 383 M CA 1.787 57.112 55.300 0.041 0.000 1.117 383 M CB -0.609 32.011 32.600 0.033 0.000 1.320 383 M HN 0.309 nan 8.290 nan 0.000 0.408 384 K N -0.161 120.258 120.400 0.032 0.000 2.077 384 K HA -0.284 4.036 4.320 -0.000 0.000 0.213 384 K C 2.077 178.698 176.600 0.036 0.000 1.051 384 K CA 2.347 58.652 56.287 0.030 0.000 0.929 384 K CB -0.527 31.987 32.500 0.024 0.000 0.715 384 K HN 0.593 nan 8.250 nan 0.000 0.451 385 Q N -0.100 119.726 119.800 0.044 0.000 2.061 385 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 385 Q C 2.161 178.198 176.000 0.062 0.000 0.984 385 Q CA 2.204 58.039 55.803 0.054 0.000 0.846 385 Q CB -0.071 28.707 28.738 0.067 0.000 0.902 385 Q HN 0.358 nan 8.270 nan 0.000 0.421 386 V N -3.589 116.371 119.914 0.076 0.000 2.825 386 V HA 0.191 4.311 4.120 -0.000 0.000 0.246 386 V C 1.959 178.082 176.094 0.049 0.000 1.068 386 V CA 1.003 63.349 62.300 0.078 0.000 1.088 386 V CB -0.668 31.233 31.823 0.130 0.000 0.733 386 V HN 0.242 nan 8.190 nan 0.000 0.468 387 A N 1.656 124.504 122.820 0.046 0.000 1.929 387 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 387 A C 2.325 179.925 177.584 0.027 0.000 1.176 387 A CA 1.640 53.698 52.037 0.035 0.000 0.628 387 A CB -1.339 17.682 19.000 0.035 0.000 0.816 387 A HN 0.632 nan 8.150 nan 0.000 0.444 388 G N -0.177 108.638 108.800 0.026 0.000 2.442 388 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 388 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 388 G C 1.645 176.555 174.900 0.016 0.000 1.141 388 G CA 1.952 47.064 45.100 0.021 0.000 0.763 388 G HN 0.634 nan 8.290 nan 0.000 0.554 389 T N -1.616 112.945 114.554 0.012 0.000 3.043 389 T HA 0.131 4.481 4.350 -0.000 0.000 0.263 389 T C 2.253 176.952 174.700 -0.003 0.000 1.094 389 T CA 0.948 63.049 62.100 0.001 0.000 1.127 389 T CB -0.040 68.823 68.868 -0.008 0.000 0.905 389 T HN 0.227 nan 8.240 nan 0.000 0.490 390 M N 0.780 120.381 119.600 0.002 0.000 2.175 390 M HA 0.036 4.516 4.480 -0.000 0.000 0.264 390 M C 2.437 178.742 176.300 0.008 0.000 1.063 390 M CA 1.454 56.753 55.300 -0.002 0.000 1.119 390 M CB -0.176 32.426 32.600 0.004 0.000 1.377 390 M HN 0.106 nan 8.290 nan 0.000 0.415 391 K N 0.422 120.832 120.400 0.017 0.000 2.063 391 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 391 K C 1.902 178.517 176.600 0.025 0.000 1.048 391 K CA 1.350 57.651 56.287 0.024 0.000 0.928 391 K CB -0.202 32.313 32.500 0.025 0.000 0.713 391 K HN 0.408 nan 8.250 nan 0.000 0.442 392 L N 0.573 121.807 121.223 0.018 0.000 1.994 392 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 392 L C 2.274 179.157 176.870 0.023 0.000 1.071 392 L CA 1.681 56.531 54.840 0.017 0.000 0.745 392 L CB -0.375 41.690 42.059 0.009 0.000 0.892 392 L HN 0.312 nan 8.230 nan 0.000 0.431 393 E N -0.254 119.955 120.200 0.015 0.000 2.150 393 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 393 E C 2.296 178.928 176.600 0.053 0.000 0.985 393 E CA 0.723 57.133 56.400 0.018 0.000 0.814 393 E CB 0.084 29.775 29.700 -0.015 0.000 0.752 393 E HN 0.411 nan 8.360 nan 0.000 0.466 394 L N -0.201 121.052 121.223 0.050 0.000 2.240 394 L HA -0.017 4.323 4.340 -0.000 0.000 0.211 394 L C 2.330 179.279 176.870 0.130 0.000 1.106 394 L CA 0.535 55.434 54.840 0.099 0.000 0.793 394 L CB -0.228 41.867 42.059 0.060 0.000 0.927 394 L HN 0.168 nan 8.230 nan 0.000 0.446 395 A N -0.391 122.476 122.820 0.079 0.000 1.897 395 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 395 A C 2.191 179.808 177.584 0.056 0.000 1.181 395 A CA 1.233 53.305 52.037 0.058 0.000 0.620 395 A CB -0.350 18.671 19.000 0.036 0.000 0.821 395 A HN 0.380 nan 8.150 nan 0.000 0.443 396 Q N -2.178 117.661 119.800 0.064 0.000 2.167 396 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 396 Q C 1.876 177.927 176.000 0.086 0.000 0.970 396 Q CA 1.563 57.400 55.803 0.056 0.000 0.855 396 Q CB -0.257 28.509 28.738 0.047 0.000 0.911 396 Q HN 0.826 nan 8.270 nan 0.000 0.438 397 Y N 0.917 121.212 120.300 -0.009 0.000 2.133 397 Y HA -0.169 4.381 4.550 -0.000 0.000 0.287 397 Y C 2.007 177.904 175.900 -0.005 0.000 1.134 397 Y CA 1.532 59.628 58.100 -0.008 0.000 1.133 397 Y CB -0.014 38.442 38.460 -0.007 0.000 0.987 397 Y HN -0.121 nan 8.280 nan 0.000 0.502 398 R N 0.149 120.619 120.500 -0.050 0.000 2.159 398 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 398 R C 2.038 178.256 176.300 -0.136 0.000 1.131 398 R CA 1.345 57.365 56.100 -0.135 0.000 0.982 398 R CB -0.109 30.181 30.300 -0.016 0.000 0.868 398 R HN 0.433 nan 8.270 nan 0.000 0.453 399 E N -0.139 120.009 120.200 -0.086 0.000 2.072 399 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 399 E C 2.039 178.583 176.600 -0.094 0.000 0.985 399 E CA 1.241 57.600 56.400 -0.068 0.000 0.801 399 E CB 0.045 29.726 29.700 -0.033 0.000 0.750 399 E HN 0.179 nan 8.360 nan 0.000 0.452 400 V N 1.335 121.173 119.914 -0.127 0.000 2.500 400 V HA 0.048 4.168 4.120 -0.000 0.000 0.243 400 V C 1.515 177.506 176.094 -0.173 0.000 1.039 400 V CA 0.749 62.978 62.300 -0.119 0.000 1.053 400 V CB -0.765 31.012 31.823 -0.078 0.000 0.695 400 V HN 0.124 nan 8.190 nan 0.000 0.463 411 D N -0.659 119.739 120.400 -0.004 0.000 10.667 411 D HA -0.065 4.575 4.640 -0.000 0.000 0.323 411 D C -0.166 176.131 176.300 -0.004 0.000 3.148 411 D CA 0.696 54.694 54.000 -0.004 0.000 2.769 411 D CB 0.232 41.029 40.800 -0.004 0.000 1.233 411 D HN 0.744 nan 8.370 nan 0.000 0.949 412 A N 2.297 125.114 122.820 -0.005 0.000 1.862 412 A HA 0.449 4.769 4.320 -0.000 0.000 0.211 412 A C 2.144 179.724 177.584 -0.007 0.000 1.220 412 A CA 2.362 54.395 52.037 -0.007 0.000 0.616 412 A CB -0.705 18.291 19.000 -0.008 0.000 0.878 412 A HN 0.862 nan 8.150 nan 0.000 0.453 413 A N -0.257 122.560 122.820 -0.006 0.000 1.898 413 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 413 A C 2.332 179.915 177.584 -0.001 0.000 1.183 413 A CA 2.220 54.254 52.037 -0.006 0.000 0.622 413 A CB -1.342 17.654 19.000 -0.006 0.000 0.824 413 A HN 0.673 nan 8.150 nan 0.000 0.444 414 T N -2.018 112.537 114.554 0.002 0.000 3.007 414 T HA -0.161 4.189 4.350 -0.000 0.000 0.270 414 T C 1.811 176.521 174.700 0.017 0.000 1.107 414 T CA 1.404 63.509 62.100 0.008 0.000 1.118 414 T CB -0.280 68.589 68.868 0.001 0.000 0.889 414 T HN 0.563 nan 8.240 nan 0.000 0.506 415 Q N 0.353 120.159 119.800 0.010 0.000 2.119 415 Q HA -0.149 4.191 4.340 -0.000 0.000 0.201 415 Q C 2.477 178.485 176.000 0.013 0.000 0.972 415 Q CA 1.250 57.060 55.803 0.012 0.000 0.847 415 Q CB -0.118 28.622 28.738 0.002 0.000 0.903 415 Q HN 0.514 nan 8.270 nan 0.000 0.433 416 Q N 0.156 119.958 119.800 0.004 0.000 2.172 416 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 416 Q C 1.817 177.819 176.000 0.004 0.000 0.964 416 Q CA 1.111 56.909 55.803 -0.008 0.000 0.855 416 Q CB -0.002 28.724 28.738 -0.021 0.000 0.918 416 Q HN 0.450 nan 8.270 nan 0.000 0.444 417 L N -0.602 120.640 121.223 0.031 0.000 2.141 417 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 417 L C 2.050 179.010 176.870 0.150 0.000 1.094 417 L CA 0.705 55.585 54.840 0.067 0.000 0.763 417 L CB -0.313 41.790 42.059 0.074 0.000 0.908 417 L HN 0.234 nan 8.230 nan 0.000 0.437 418 L N -1.168 120.156 121.223 0.168 0.000 2.109 418 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 418 L C 2.639 179.578 176.870 0.115 0.000 1.086 418 L CA 0.810 55.818 54.840 0.281 0.000 0.760 418 L CB -0.337 41.834 42.059 0.187 0.000 0.910 418 L HN 0.167 nan 8.230 nan 0.000 0.437 419 S N -0.423 115.297 115.700 0.032 0.000 2.383 419 S HA -0.173 4.297 4.470 -0.000 0.000 0.227 419 S C 2.019 176.567 174.600 -0.086 0.000 1.026 419 S CA 1.057 59.240 58.200 -0.027 0.000 0.981 419 S CB -0.210 62.973 63.200 -0.029 0.000 0.818 419 S HN 0.262 nan 8.310 nan 0.000 0.472 420 R N 1.802 122.248 120.500 -0.090 0.000 2.073 420 R HA 0.071 4.411 4.340 -0.000 0.000 0.229 420 R C 2.292 178.458 176.300 -0.225 0.000 1.120 420 R CA 1.599 57.621 56.100 -0.129 0.000 0.967 420 R CB -1.280 28.965 30.300 -0.092 0.000 0.862 420 R HN 0.360 nan 8.270 nan 0.000 0.436 421 G N -0.034 108.556 108.800 -0.351 0.000 2.418 421 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 421 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 421 G C 1.381 175.737 174.900 -0.907 0.000 1.158 421 G CA 1.266 45.829 45.100 -0.895 0.000 0.771 421 G HN 0.336 nan 8.290 nan 0.000 0.545 422 V N -1.400 118.160 119.914 -0.590 0.000 2.667 422 V HA 0.028 4.148 4.120 -0.000 0.000 0.252 422 V C 2.685 178.665 176.094 -0.189 0.000 1.065 422 V CA 1.333 63.452 62.300 -0.302 0.000 1.083 422 V CB -0.476 31.282 31.823 -0.107 0.000 0.692 422 V HN 0.107 nan 8.190 nan 0.000 0.468 423 R N 1.026 121.417 120.500 -0.181 0.000 2.066 423 R HA 0.133 4.473 4.340 -0.000 0.000 0.232 423 R C 2.325 178.557 176.300 -0.112 0.000 1.131 423 R CA 1.670 57.694 56.100 -0.128 0.000 0.955 423 R CB -1.255 28.965 30.300 -0.133 0.000 0.851 423 R HN 0.533 nan 8.270 nan 0.000 0.432 424 L N 0.372 121.509 121.223 -0.142 0.000 2.093 424 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 424 L C 2.266 179.088 176.870 -0.080 0.000 1.085 424 L CA 1.432 56.211 54.840 -0.101 0.000 0.755 424 L CB -0.835 41.159 42.059 -0.109 0.000 0.904 424 L HN 0.149 nan 8.230 nan 0.000 0.435 425 T N -0.884 113.598 114.554 -0.119 0.000 2.803 425 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 425 T C 1.775 176.460 174.700 -0.025 0.000 1.052 425 T CA 1.112 63.174 62.100 -0.064 0.000 1.136 425 T CB -0.122 68.699 68.868 -0.079 0.000 0.864 425 T HN 0.291 nan 8.240 nan 0.000 0.467 426 E N 0.922 121.101 120.200 -0.034 0.000 2.152 426 E HA 0.073 4.423 4.350 -0.000 0.000 0.192 426 E C 2.273 178.880 176.600 0.011 0.000 0.983 426 E CA 0.483 56.880 56.400 -0.006 0.000 0.818 426 E CB -0.348 29.348 29.700 -0.007 0.000 0.758 426 E HN 0.459 nan 8.360 nan 0.000 0.467 427 L N 0.430 121.656 121.223 0.004 0.000 2.093 427 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 427 L C 2.318 179.205 176.870 0.027 0.000 1.085 427 L CA 0.709 55.563 54.840 0.024 0.000 0.755 427 L CB -0.254 41.817 42.059 0.019 0.000 0.904 427 L HN 0.096 nan 8.230 nan 0.000 0.435 428 L N -0.681 120.553 121.223 0.019 0.000 2.551 428 L HA -0.065 4.275 4.340 -0.000 0.000 0.228 428 L C 0.856 177.746 176.870 0.033 0.000 1.153 428 L CA 0.375 55.231 54.840 0.027 0.000 0.851 428 L CB -0.479 41.596 42.059 0.027 0.000 0.959 428 L HN 0.146 nan 8.230 nan 0.000 0.451 429 K N 1.387 121.806 120.400 0.031 0.000 2.326 429 K HA 0.244 4.564 4.320 -0.000 0.000 0.275 429 K C -0.185 176.434 176.600 0.032 0.000 1.018 429 K CA 0.193 56.501 56.287 0.034 0.000 0.962 429 K CB 0.934 33.452 32.500 0.030 0.000 0.953 429 K HN 0.017 nan 8.250 nan 0.000 0.475 430 Q N 0.625 120.443 119.800 0.029 0.000 2.352 430 Q HA 0.306 4.646 4.340 -0.000 0.000 0.270 430 Q C -0.713 175.293 176.000 0.009 0.000 1.006 430 Q CA -0.566 55.249 55.803 0.019 0.000 0.880 430 Q CB 1.782 30.529 28.738 0.014 0.000 1.392 430 Q HN 0.806 nan 8.270 nan 0.000 0.401 431 G N 1.486 110.287 108.800 0.002 0.000 2.588 431 G HA2 0.220 4.180 3.960 -0.000 0.000 0.278 431 G HA3 0.220 4.180 3.960 -0.000 0.000 0.278 431 G C -0.572 174.287 174.900 -0.069 0.000 1.307 431 G CA -0.157 44.933 45.100 -0.016 0.000 1.016 431 G HN 0.587 nan 8.290 nan 0.000 0.503 432 Q N -1.818 117.897 119.800 -0.142 0.000 2.193 432 Q HA 0.368 4.708 4.340 -0.000 0.000 0.246 432 Q C -0.499 175.334 176.000 -0.279 0.000 0.959 432 Q CA -0.619 54.946 55.803 -0.398 0.000 0.904 432 Q CB 1.160 29.417 28.738 -0.801 0.000 1.238 432 Q HN 0.602 nan 8.270 nan 0.000 0.469 433 Y N -1.350 118.955 120.300 0.007 0.000 4.538 433 Y HA -0.281 4.269 4.550 -0.000 0.000 0.225 433 Y C 0.379 176.277 175.900 -0.004 0.000 1.074 433 Y CA 0.424 58.522 58.100 -0.003 0.000 1.942 433 Y CB -1.621 36.834 38.460 -0.008 0.000 1.618 433 Y HN 0.325 nan 8.280 nan 0.000 0.642 434 S N 0.693 116.435 115.700 0.071 0.000 2.139 434 S HA 0.378 4.848 4.470 -0.000 0.000 0.183 434 S C -2.487 172.123 174.600 0.017 0.000 1.473 434 S CA -1.141 57.086 58.200 0.045 0.000 1.263 434 S CB 0.365 63.587 63.200 0.036 0.000 1.170 434 S HN 0.017 nan 8.310 nan 0.000 0.430 435 P HA 0.316 nan 4.420 nan 0.000 0.281 435 P C -0.440 176.853 177.300 -0.013 0.000 1.252 435 P CA -0.238 62.865 63.100 0.005 0.000 0.778 435 P CB 0.576 32.284 31.700 0.014 0.000 0.895 436 M N 2.054 121.647 119.600 -0.011 0.000 2.274 436 M HA 0.466 4.946 4.480 -0.000 0.000 0.344 436 M C 0.651 176.931 176.300 -0.033 0.000 1.161 436 M CA -0.602 54.685 55.300 -0.022 0.000 1.126 436 M CB 1.227 33.822 32.600 -0.008 0.000 1.522 436 M HN 0.361 nan 8.290 nan 0.000 0.461 437 A N 1.956 124.741 122.820 -0.059 0.000 2.466 437 A HA 0.112 4.432 4.320 -0.000 0.000 0.238 437 A C 0.954 178.525 177.584 -0.021 0.000 1.074 437 A CA -0.296 51.700 52.037 -0.068 0.000 0.774 437 A CB 0.039 18.981 19.000 -0.096 0.000 1.015 437 A HN 0.983 nan 8.150 nan 0.000 0.498 438 I N 0.409 120.983 120.570 0.007 0.000 2.286 438 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 438 I C 2.469 178.592 176.117 0.011 0.000 1.115 438 I CA 2.342 63.659 61.300 0.028 0.000 1.392 438 I CB -0.238 37.796 38.000 0.058 0.000 1.065 438 I HN 0.856 nan 8.210 nan 0.000 0.418 439 E N 0.476 120.671 120.200 -0.008 0.000 2.107 439 E HA -0.256 4.094 4.350 -0.000 0.000 0.191 439 E C 1.817 178.399 176.600 -0.030 0.000 0.982 439 E CA 1.448 57.834 56.400 -0.023 0.000 0.809 439 E CB -0.764 28.912 29.700 -0.041 0.000 0.756 439 E HN 0.633 nan 8.360 nan 0.000 0.459 440 E N 1.088 121.264 120.200 -0.041 0.000 2.038 440 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 440 E C 2.373 178.975 176.600 0.003 0.000 1.000 440 E CA 1.445 57.818 56.400 -0.045 0.000 0.803 440 E CB -0.135 29.531 29.700 -0.056 0.000 0.750 440 E HN 0.351 nan 8.360 nan 0.000 0.448 441 Q N 0.143 119.951 119.800 0.014 0.000 2.077 441 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 441 Q C 2.531 178.570 176.000 0.065 0.000 0.989 441 Q CA 2.086 57.913 55.803 0.039 0.000 0.853 441 Q CB -0.195 28.563 28.738 0.033 0.000 0.907 441 Q HN 0.345 nan 8.270 nan 0.000 0.418 442 V N -2.676 117.274 119.914 0.059 0.000 2.667 442 V HA -0.055 4.065 4.120 -0.000 0.000 0.252 442 V C 2.018 178.193 176.094 0.135 0.000 1.065 442 V CA 1.500 63.850 62.300 0.084 0.000 1.083 442 V CB -0.936 30.922 31.823 0.058 0.000 0.692 442 V HN 0.282 nan 8.190 nan 0.000 0.468 443 A N 1.506 124.397 122.820 0.119 0.000 1.902 443 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 443 A C 2.480 180.296 177.584 0.387 0.000 1.181 443 A CA 2.604 54.772 52.037 0.218 0.000 0.623 443 A CB -0.951 18.126 19.000 0.128 0.000 0.818 443 A HN 1.168 nan 8.150 nan 0.000 0.443 444 V N -1.524 118.563 119.914 0.289 0.000 2.379 444 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 444 V C 2.136 178.324 176.094 0.158 0.000 1.044 444 V CA 1.663 64.108 62.300 0.243 0.000 1.036 444 V CB -0.864 31.068 31.823 0.182 0.000 0.664 444 V HN 0.424 nan 8.190 nan 0.000 0.453 445 I N -0.027 120.628 120.570 0.143 0.000 2.226 445 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 445 I C 2.634 178.823 176.117 0.120 0.000 1.100 445 I CA 2.494 63.856 61.300 0.104 0.000 1.374 445 I CB -1.429 36.626 38.000 0.091 0.000 1.057 445 I HN 0.499 nan 8.210 nan 0.000 0.413 446 Y N 2.345 122.677 120.300 0.054 0.000 2.151 446 Y HA -0.306 4.244 4.550 -0.000 0.000 0.284 446 Y C 2.657 178.601 175.900 0.074 0.000 1.166 446 Y CA 2.189 60.327 58.100 0.063 0.000 1.163 446 Y CB -0.259 38.247 38.460 0.077 0.000 0.974 446 Y HN 0.126 nan 8.280 nan 0.000 0.511 447 A N 0.120 123.027 122.820 0.145 0.000 1.902 447 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 447 A C 2.456 180.037 177.584 -0.004 0.000 1.181 447 A CA 1.800 53.859 52.037 0.036 0.000 0.623 447 A CB -1.698 17.217 19.000 -0.143 0.000 0.818 447 A HN 0.619 nan 8.150 nan 0.000 0.443 448 G N -0.672 108.108 108.800 -0.033 0.000 2.434 448 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.214 448 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.214 448 G C 1.522 176.353 174.900 -0.116 0.000 1.202 448 G CA 1.149 46.202 45.100 -0.079 0.000 0.788 448 G HN 0.295 nan 8.290 nan 0.000 0.539 449 V N 1.078 120.929 119.914 -0.105 0.000 2.332 449 V HA -0.133 3.987 4.120 -0.000 0.000 0.248 449 V C 2.845 178.822 176.094 -0.195 0.000 1.055 449 V CA 1.669 63.895 62.300 -0.124 0.000 1.038 449 V CB -0.369 31.405 31.823 -0.081 0.000 0.651 449 V HN 0.241 nan 8.190 nan 0.000 0.450 450 R N -0.130 120.197 120.500 -0.289 0.000 2.307 450 R HA 0.131 4.471 4.340 -0.000 0.000 0.199 450 R C 1.661 177.660 176.300 -0.502 0.000 1.000 450 R CA 0.868 56.737 56.100 -0.385 0.000 1.023 450 R CB -0.299 29.709 30.300 -0.488 0.000 0.908 450 R HN 0.649 nan 8.270 nan 0.000 0.473 451 G N 0.293 108.859 108.800 -0.389 0.000 2.134 451 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.209 451 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.209 451 G C 0.326 174.975 174.900 -0.418 0.000 0.993 451 G CA -0.122 44.753 45.100 -0.375 0.000 0.669 451 G HN 0.393 nan 8.290 nan 0.000 0.519 452 Y N -0.018 120.149 120.300 -0.222 0.000 2.578 452 Y HA 0.361 4.911 4.550 -0.000 0.000 0.297 452 Y C 2.477 178.143 175.900 -0.389 0.000 1.176 452 Y CA 0.903 58.855 58.100 -0.246 0.000 1.315 452 Y CB 0.131 38.469 38.460 -0.204 0.000 1.031 452 Y HN 0.381 nan 8.280 nan 0.000 0.524 453 L N -1.003 120.062 121.223 -0.263 0.000 2.616 453 L HA 0.037 4.377 4.340 -0.000 0.000 0.229 453 L C 1.176 177.912 176.870 -0.223 0.000 1.110 453 L CA 0.001 54.638 54.840 -0.338 0.000 0.884 453 L CB 0.040 41.926 42.059 -0.288 0.000 1.115 453 L HN 0.056 nan 8.230 nan 0.000 0.481 454 D N 1.185 121.474 120.400 -0.185 0.000 2.123 454 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 454 D C 1.864 178.101 176.300 -0.104 0.000 0.992 454 D CA 1.426 55.343 54.000 -0.138 0.000 0.833 454 D CB 0.099 40.816 40.800 -0.140 0.000 0.954 454 D HN 0.159 nan 8.370 nan 0.000 0.455 455 K N -0.595 119.746 120.400 -0.099 0.000 2.487 455 K HA 0.047 4.367 4.320 -0.000 0.000 0.192 455 K C 0.218 176.793 176.600 -0.043 0.000 1.027 455 K CA -0.197 56.054 56.287 -0.059 0.000 1.054 455 K CB 0.315 32.790 32.500 -0.041 0.000 0.824 455 K HN -0.002 nan 8.250 nan 0.000 0.510 456 L N 0.705 121.886 121.223 -0.070 0.000 2.472 456 L HA 0.185 4.525 4.340 -0.000 0.000 0.256 456 L C 0.009 176.863 176.870 -0.026 0.000 1.111 456 L CA -0.112 54.707 54.840 -0.034 0.000 0.800 456 L CB 0.846 42.855 42.059 -0.084 0.000 1.286 456 L HN -0.020 nan 8.230 nan 0.000 0.479 457 E N 0.867 121.071 120.200 0.006 0.000 2.212 457 E HA 0.310 4.660 4.350 -0.000 0.000 0.270 457 E C -1.867 174.735 176.600 0.003 0.000 0.956 457 E CA -1.599 54.804 56.400 0.004 0.000 0.825 457 E CB 0.710 30.421 29.700 0.019 0.000 1.167 457 E HN 0.327 nan 8.360 nan 0.000 0.400 458 P HA -0.269 nan 4.420 nan 0.000 0.218 458 P C 1.323 178.633 177.300 0.016 0.000 1.146 458 P CA 1.356 64.454 63.100 -0.003 0.000 0.813 458 P CB 0.200 31.899 31.700 -0.001 0.000 0.778 459 S N -1.011 114.705 115.700 0.026 0.000 2.507 459 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 459 S C 1.460 176.097 174.600 0.062 0.000 0.988 459 S CA 0.895 59.117 58.200 0.037 0.000 0.944 459 S CB -0.571 62.649 63.200 0.033 0.000 0.762 459 S HN 0.143 nan 8.310 nan 0.000 0.526 460 K N -0.052 120.396 120.400 0.080 0.000 2.564 460 K HA 0.352 4.672 4.320 -0.000 0.000 0.201 460 K C 0.604 177.296 176.600 0.154 0.000 1.086 460 K CA -0.216 56.157 56.287 0.143 0.000 1.062 460 K CB 0.475 33.095 32.500 0.200 0.000 0.849 460 K HN 0.260 nan 8.250 nan 0.000 0.529 461 I N 0.855 121.477 120.570 0.088 0.000 2.353 461 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 461 I C 1.747 177.942 176.117 0.129 0.000 1.119 461 I CA 1.517 62.863 61.300 0.076 0.000 1.417 461 I CB -1.046 36.964 38.000 0.016 0.000 1.078 461 I HN 0.082 nan 8.210 nan 0.000 0.421 462 T N 1.002 115.621 114.554 0.108 0.000 2.708 462 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 462 T C 2.017 176.799 174.700 0.136 0.000 1.037 462 T CA 1.372 63.535 62.100 0.105 0.000 1.146 462 T CB -0.113 68.801 68.868 0.077 0.000 0.865 462 T HN 0.271 nan 8.240 nan 0.000 0.435 463 K N 0.051 120.558 120.400 0.177 0.000 2.026 463 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 463 K C 2.130 178.883 176.600 0.254 0.000 1.048 463 K CA 1.351 57.778 56.287 0.233 0.000 0.929 463 K CB -0.346 32.336 32.500 0.304 0.000 0.713 463 K HN 0.342 nan 8.250 nan 0.000 0.439 464 F N 2.181 122.147 119.950 0.028 0.000 2.102 464 F HA -0.212 4.315 4.527 -0.000 0.000 0.298 464 F C 2.344 178.120 175.800 -0.039 0.000 1.105 464 F CA 1.870 59.714 58.000 -0.259 0.000 1.239 464 F CB -0.231 38.449 39.000 -0.533 0.000 0.991 464 F HN 0.181 nan 8.300 nan 0.000 0.474 465 E N 0.385 120.686 120.200 0.168 0.000 2.033 465 E HA -0.327 4.023 4.350 -0.000 0.000 0.199 465 E C 1.932 178.544 176.600 0.021 0.000 1.011 465 E CA 2.118 58.587 56.400 0.114 0.000 0.815 465 E CB -0.502 29.278 29.700 0.134 0.000 0.755 465 E HN 0.626 nan 8.360 nan 0.000 0.451 466 N N -0.535 118.188 118.700 0.038 0.000 2.309 466 N HA -0.116 4.624 4.740 -0.000 0.000 0.182 466 N C 1.672 177.183 175.510 0.002 0.000 1.018 466 N CA 0.641 53.705 53.050 0.022 0.000 0.876 466 N CB -0.036 38.484 38.487 0.055 0.000 0.972 466 N HN 0.176 nan 8.380 nan 0.000 0.434 467 A N 0.579 123.416 122.820 0.028 0.000 1.898 467 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 467 A C 1.876 179.350 177.584 -0.184 0.000 1.183 467 A CA 0.661 52.766 52.037 0.113 0.000 0.622 467 A CB -0.666 18.572 19.000 0.396 0.000 0.824 467 A HN 0.366 nan 8.150 nan 0.000 0.444 468 F N 0.187 119.684 119.950 -0.755 0.000 2.146 468 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 468 F C 1.775 177.217 175.800 -0.597 0.000 1.096 468 F CA 1.480 58.736 58.000 -1.240 0.000 1.275 468 F CB -0.327 37.927 39.000 -1.243 0.000 1.008 468 F HN 0.174 nan 8.300 nan 0.000 0.480 469 L N -0.021 120.934 121.223 -0.446 0.000 1.989 469 L HA -0.186 4.154 4.340 -0.000 0.000 0.211 469 L C 2.709 179.380 176.870 -0.331 0.000 1.071 469 L CA 2.205 56.813 54.840 -0.387 0.000 0.749 469 L CB -1.465 40.503 42.059 -0.153 0.000 0.890 469 L HN 0.257 nan 8.230 nan 0.000 0.431 470 S N -1.965 113.611 115.700 -0.207 0.000 2.440 470 S HA -0.246 4.224 4.470 -0.000 0.000 0.238 470 S C 2.077 176.605 174.600 -0.120 0.000 1.010 470 S CA 1.222 59.349 58.200 -0.121 0.000 0.972 470 S CB -0.498 62.682 63.200 -0.033 0.000 0.774 470 S HN 0.684 nan 8.310 nan 0.000 0.501 471 H N 0.422 119.295 119.070 -0.328 0.000 2.355 471 H HA 0.006 4.562 4.556 -0.000 0.000 0.303 471 H C 2.148 177.322 175.328 -0.256 0.000 1.061 471 H CA 1.821 57.709 56.048 -0.266 0.000 1.368 471 H CB -0.149 29.381 29.762 -0.388 0.000 1.412 471 H HN 0.396 nan 8.280 nan 0.000 0.523 472 V N -0.551 119.047 119.914 -0.526 0.000 2.626 472 V HA -0.116 4.004 4.120 -0.000 0.000 0.252 472 V C 2.408 178.328 176.094 -0.290 0.000 1.067 472 V CA 1.348 63.387 62.300 -0.435 0.000 1.081 472 V CB -0.789 30.654 31.823 -0.634 0.000 0.686 472 V HN 0.263 nan 8.190 nan 0.000 0.468 473 I N 0.508 120.910 120.570 -0.279 0.000 2.406 473 I HA -0.105 4.065 4.170 -0.000 0.000 0.249 473 I C 2.730 178.740 176.117 -0.177 0.000 1.122 473 I CA 1.677 62.859 61.300 -0.196 0.000 1.431 473 I CB -0.189 37.711 38.000 -0.166 0.000 1.087 473 I HN 0.339 nan 8.210 nan 0.000 0.424 474 S N -0.588 114.993 115.700 -0.198 0.000 2.458 474 S HA -0.021 4.449 4.470 -0.000 0.000 0.223 474 S C 1.866 176.327 174.600 -0.232 0.000 1.019 474 S CA 0.820 58.918 58.200 -0.171 0.000 0.937 474 S CB 0.153 63.283 63.200 -0.117 0.000 0.788 474 S HN 0.331 nan 8.310 nan 0.000 0.511 475 Q N -0.337 119.243 119.800 -0.366 0.000 2.431 475 Q HA 0.199 4.538 4.340 -0.000 0.000 0.244 475 Q C -0.184 175.397 176.000 -0.699 0.000 0.880 475 Q CA 0.620 56.091 55.803 -0.552 0.000 0.954 475 Q CB 0.314 28.584 28.738 -0.780 0.000 1.105 475 Q HN 0.617 nan 8.270 nan 0.000 0.558 476 H N 0.352 119.262 119.070 -0.268 0.000 2.386 476 H HA 0.266 4.822 4.556 -0.000 0.000 0.232 476 H C 0.798 176.024 175.328 -0.170 0.000 1.416 476 H CA -0.133 55.797 56.048 -0.197 0.000 1.285 476 H CB 0.704 30.344 29.762 -0.203 0.000 1.625 476 H HN -0.022 nan 8.280 nan 0.000 0.521 477 Q N 0.749 120.496 119.800 -0.088 0.000 2.172 477 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 477 Q C 2.200 178.166 176.000 -0.057 0.000 0.964 477 Q CA 1.039 56.793 55.803 -0.081 0.000 0.855 477 Q CB 0.177 28.862 28.738 -0.088 0.000 0.918 477 Q HN 0.669 nan 8.270 nan 0.000 0.444 478 A N 1.271 124.065 122.820 -0.044 0.000 1.908 478 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 478 A C 2.004 179.572 177.584 -0.027 0.000 1.181 478 A CA 1.011 53.029 52.037 -0.031 0.000 0.627 478 A CB -0.614 18.372 19.000 -0.023 0.000 0.818 478 A HN 0.354 nan 8.150 nan 0.000 0.445 479 L N -0.534 120.677 121.223 -0.020 0.000 2.109 479 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 479 L C 2.244 179.078 176.870 -0.060 0.000 1.086 479 L CA 1.383 56.200 54.840 -0.039 0.000 0.760 479 L CB -0.593 41.438 42.059 -0.048 0.000 0.910 479 L HN 0.425 nan 8.230 nan 0.000 0.437 480 L N -0.347 120.835 121.223 -0.067 0.000 2.056 480 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 480 L C 2.543 179.378 176.870 -0.059 0.000 1.078 480 L CA 1.243 56.036 54.840 -0.078 0.000 0.749 480 L CB -0.960 41.042 42.059 -0.095 0.000 0.901 480 L HN 0.343 nan 8.230 nan 0.000 0.433 481 G N -0.350 108.419 108.800 -0.051 0.000 2.448 481 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 481 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 481 G C 1.657 176.538 174.900 -0.031 0.000 1.135 481 G CA 0.537 45.613 45.100 -0.040 0.000 0.784 481 G HN 0.224 nan 8.290 nan 0.000 0.543 482 K N 0.002 120.382 120.400 -0.033 0.000 2.155 482 K HA 0.161 4.481 4.320 -0.000 0.000 0.203 482 K C 2.214 178.798 176.600 -0.027 0.000 1.052 482 K CA 0.636 56.907 56.287 -0.027 0.000 0.948 482 K CB -0.231 32.252 32.500 -0.028 0.000 0.728 482 K HN 0.318 nan 8.250 nan 0.000 0.448 483 I N 0.207 120.756 120.570 -0.036 0.000 2.406 483 I HA -0.144 4.026 4.170 -0.000 0.000 0.249 483 I C 2.547 178.653 176.117 -0.018 0.000 1.122 483 I CA 0.689 61.970 61.300 -0.032 0.000 1.431 483 I CB -0.100 37.871 38.000 -0.048 0.000 1.087 483 I HN 0.149 nan 8.210 nan 0.000 0.424 484 R N 0.294 120.783 120.500 -0.018 0.000 2.075 484 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 484 R C 2.133 178.434 176.300 0.002 0.000 1.126 484 R CA 2.015 58.112 56.100 -0.005 0.000 0.963 484 R CB -0.236 30.058 30.300 -0.010 0.000 0.858 484 R HN 0.262 nan 8.270 nan 0.000 0.435 485 T N 0.931 115.482 114.554 -0.005 0.000 2.732 485 T HA -0.087 4.263 4.350 -0.000 0.000 0.261 485 T C 1.173 175.872 174.700 -0.001 0.000 1.040 485 T CA 1.436 63.535 62.100 -0.002 0.000 1.145 485 T CB -0.335 68.529 68.868 -0.006 0.000 0.866 485 T HN 0.276 nan 8.240 nan 0.000 0.427 486 D N 0.429 120.827 120.400 -0.005 0.000 2.117 486 D HA 0.045 4.684 4.640 -0.000 0.000 0.197 486 D C 1.959 178.258 176.300 -0.001 0.000 0.987 486 D CA 1.541 55.539 54.000 -0.003 0.000 0.829 486 D CB -0.586 40.211 40.800 -0.006 0.000 0.961 486 D HN 0.553 nan 8.370 nan 0.000 0.460 487 G N -0.031 108.769 108.800 -0.000 0.000 2.225 487 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.254 487 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.254 487 G C 0.437 175.340 174.900 0.005 0.000 0.988 487 G CA 0.641 45.743 45.100 0.003 0.000 0.625 487 G HN 0.422 nan 8.290 nan 0.000 0.527 488 K N -0.428 119.974 120.400 0.003 0.000 2.303 488 K HA 0.791 5.111 4.320 -0.000 0.000 0.233 488 K C -0.430 176.172 176.600 0.002 0.000 1.046 488 K CA -1.064 55.228 56.287 0.007 0.000 0.895 488 K CB 1.704 34.209 32.500 0.009 0.000 1.220 488 K HN 0.116 nan 8.250 nan 0.000 0.470 489 I N 1.925 122.501 120.570 0.010 0.000 2.371 489 I HA 0.068 4.238 4.170 -0.000 0.000 0.282 489 I C 0.417 176.540 176.117 0.011 0.000 1.031 489 I CA -0.396 60.904 61.300 0.001 0.000 1.180 489 I CB 1.375 39.381 38.000 0.011 0.000 1.336 489 I HN 0.642 nan 8.210 nan 0.000 0.467 490 S N 4.362 120.063 115.700 0.002 0.000 2.634 490 S HA 0.237 4.707 4.470 -0.000 0.000 0.261 490 S C 1.042 175.651 174.600 0.015 0.000 1.271 490 S CA -0.489 57.716 58.200 0.008 0.000 0.985 490 S CB 1.237 64.438 63.200 0.003 0.000 0.968 490 S HN 0.553 nan 8.310 nan 0.000 0.568 491 E N 0.482 120.693 120.200 0.019 0.000 2.153 491 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 491 E C 1.896 178.510 176.600 0.022 0.000 0.988 491 E CA 1.562 57.977 56.400 0.026 0.000 0.811 491 E CB -0.285 29.430 29.700 0.024 0.000 0.746 491 E HN 0.887 nan 8.360 nan 0.000 0.466 492 E N 0.706 120.913 120.200 0.012 0.000 2.046 492 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 492 E C 2.006 178.604 176.600 -0.004 0.000 0.982 492 E CA 1.532 57.936 56.400 0.007 0.000 0.800 492 E CB -0.086 29.616 29.700 0.004 0.000 0.756 492 E HN -0.058 nan 8.360 nan 0.000 0.449 493 S N 0.230 115.921 115.700 -0.015 0.000 2.402 493 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 493 S C 1.527 176.088 174.600 -0.066 0.000 1.021 493 S CA 1.222 59.395 58.200 -0.044 0.000 0.974 493 S CB -0.384 62.786 63.200 -0.050 0.000 0.800 493 S HN 0.428 nan 8.310 nan 0.000 0.484 494 D N 1.462 121.849 120.400 -0.022 0.000 2.123 494 D HA 0.045 4.685 4.640 -0.000 0.000 0.200 494 D C 1.941 178.278 176.300 0.061 0.000 0.976 494 D CA 1.063 55.075 54.000 0.021 0.000 0.831 494 D CB -0.211 40.644 40.800 0.092 0.000 0.974 494 D HN 0.320 nan 8.370 nan 0.000 0.469 495 A N 0.099 122.948 122.820 0.048 0.000 2.014 495 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 495 A C 2.062 179.665 177.584 0.032 0.000 1.163 495 A CA 0.962 53.033 52.037 0.057 0.000 0.652 495 A CB -0.292 18.735 19.000 0.045 0.000 0.808 495 A HN 0.121 nan 8.150 nan 0.000 0.449 496 K N -1.057 119.340 120.400 -0.005 0.000 2.103 496 K HA -0.005 4.315 4.320 -0.000 0.000 0.204 496 K C 1.700 178.254 176.600 -0.078 0.000 1.052 496 K CA 0.975 57.242 56.287 -0.034 0.000 0.945 496 K CB -0.206 32.267 32.500 -0.044 0.000 0.722 496 K HN 0.356 nan 8.250 nan 0.000 0.443 497 L N 1.759 122.912 121.223 -0.117 0.000 2.240 497 L HA -0.070 4.270 4.340 -0.000 0.000 0.211 497 L C 2.136 179.002 176.870 -0.007 0.000 1.106 497 L CA 1.576 56.293 54.840 -0.205 0.000 0.793 497 L CB -0.269 41.440 42.059 -0.583 0.000 0.927 497 L HN 0.003 nan 8.230 nan 0.000 0.446 498 K N -0.712 119.770 120.400 0.137 0.000 2.097 498 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 498 K C 2.014 178.660 176.600 0.077 0.000 1.050 498 K CA 1.388 57.808 56.287 0.222 0.000 0.938 498 K CB -0.011 32.638 32.500 0.249 0.000 0.718 498 K HN 0.373 nan 8.250 nan 0.000 0.442 499 E N 0.347 120.575 120.200 0.046 0.000 2.072 499 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 499 E C 2.016 178.627 176.600 0.019 0.000 0.982 499 E CA 0.903 57.324 56.400 0.036 0.000 0.803 499 E CB 0.034 29.754 29.700 0.033 0.000 0.755 499 E HN 0.328 nan 8.360 nan 0.000 0.453 500 I N 0.385 120.938 120.570 -0.029 0.000 2.202 500 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 500 I C 2.303 178.497 176.117 0.128 0.000 1.091 500 I CA 0.714 62.002 61.300 -0.020 0.000 1.368 500 I CB -0.061 37.791 38.000 -0.248 0.000 1.058 500 I HN -0.002 nan 8.210 nan 0.000 0.410 501 V N -0.194 119.742 119.914 0.037 0.000 2.358 501 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 501 V C 2.433 178.462 176.094 -0.108 0.000 1.047 501 V CA 2.267 64.512 62.300 -0.091 0.000 1.035 501 V CB -1.357 30.122 31.823 -0.573 0.000 0.658 501 V HN 0.436 nan 8.190 nan 0.000 0.452 502 T N 0.659 115.106 114.554 -0.179 0.000 2.684 502 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 502 T C 1.742 176.502 174.700 0.099 0.000 1.036 502 T CA 2.246 64.354 62.100 0.014 0.000 1.148 502 T CB -0.562 68.358 68.868 0.087 0.000 0.863 502 T HN 0.615 nan 8.240 nan 0.000 0.436 503 N N -0.112 118.656 118.700 0.112 0.000 2.244 503 N HA 0.003 4.743 4.740 -0.000 0.000 0.183 503 N C 1.536 177.133 175.510 0.145 0.000 1.016 503 N CA 0.640 53.767 53.050 0.129 0.000 0.866 503 N CB -0.167 38.408 38.487 0.147 0.000 0.980 503 N HN 0.259 nan 8.380 nan 0.000 0.430 504 F N 1.128 121.102 119.950 0.040 0.000 2.187 504 F HA 0.033 4.560 4.527 -0.000 0.000 0.295 504 F C 1.949 177.831 175.800 0.138 0.000 1.091 504 F CA 0.488 58.490 58.000 0.003 0.000 1.308 504 F CB -0.147 38.847 39.000 -0.010 0.000 1.030 504 F HN -0.066 nan 8.300 nan 0.000 0.487 505 L N 0.653 122.058 121.223 0.302 0.000 2.046 505 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 505 L C 2.458 179.441 176.870 0.188 0.000 1.077 505 L CA 2.075 57.103 54.840 0.314 0.000 0.747 505 L CB -1.284 40.926 42.059 0.252 0.000 0.896 505 L HN 0.132 nan 8.230 nan 0.000 0.432 506 A N -0.698 122.190 122.820 0.115 0.000 1.908 506 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 506 A C 2.089 179.687 177.584 0.023 0.000 1.181 506 A CA 1.558 53.636 52.037 0.069 0.000 0.627 506 A CB -1.414 17.620 19.000 0.057 0.000 0.818 506 A HN 0.523 nan 8.150 nan 0.000 0.445 507 G N -2.020 106.759 108.800 -0.036 0.000 3.314 507 G HA2 0.339 4.299 3.960 -0.000 0.000 0.238 507 G HA3 0.339 4.299 3.960 -0.000 0.000 0.238 507 G C 0.047 174.841 174.900 -0.178 0.000 1.184 507 G CA -0.215 44.820 45.100 -0.108 0.000 0.806 507 G HN 0.370 nan 8.290 nan 0.000 0.536 508 F N 1.368 121.147 119.950 -0.284 0.000 2.391 508 F HA 0.536 5.063 4.527 -0.000 0.000 0.359 508 F C -0.055 175.690 175.800 -0.092 0.000 1.122 508 F CA -1.417 56.422 58.000 -0.268 0.000 1.120 508 F CB 1.042 39.946 39.000 -0.160 0.000 1.142 508 F HN -0.024 nan 8.300 nan 0.000 0.483 509 E N 5.483 125.266 120.200 -0.696 0.000 2.089 509 E HA 0.486 4.836 4.350 -0.000 0.000 0.284 509 E C -0.065 175.951 176.600 -0.974 0.000 1.023 509 E CA -0.636 55.390 56.400 -0.623 0.000 0.819 509 E CB 1.112 30.617 29.700 -0.325 0.000 1.076 509 E HN 0.816 nan 8.360 nan 0.000 0.396 510 A N 0.000 122.345 122.820 -0.791 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.729 52.037 -0.513 0.000 0.836 510 A CB 0.000 18.952 19.000 -0.080 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486