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 2v7q_1_A 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 LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI 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 0.000 176.302 176.300 0.004 0.000 2.045 24 D CA 0.000 54.003 54.000 0.005 0.000 0.868 24 D CB 0.000 40.800 40.800 0.000 0.000 0.688 25 L N 1.752 122.978 121.223 0.005 0.000 2.599 25 L HA 0.180 4.520 4.340 0.000 0.000 0.230 25 L C 1.922 178.774 176.870 -0.030 0.000 1.141 25 L CA 0.462 55.300 54.840 -0.004 0.000 0.877 25 L CB 0.228 42.291 42.059 0.007 0.000 1.009 25 L HN 0.299 nan 8.230 nan 0.000 0.447 26 E N -0.228 119.958 120.200 -0.023 0.000 2.122 26 E HA -0.100 4.250 4.350 0.000 0.000 0.190 26 E C 1.463 178.046 176.600 -0.028 0.000 0.977 26 E CA 0.602 56.985 56.400 -0.028 0.000 0.820 26 E CB 0.361 30.049 29.700 -0.020 0.000 0.770 26 E HN 0.328 nan 8.360 nan 0.000 0.462 27 E N 0.045 120.231 120.200 -0.023 0.000 2.447 27 E HA 0.038 4.388 4.350 0.000 0.000 0.204 27 E C 0.662 177.243 176.600 -0.031 0.000 0.977 27 E CA 0.480 56.866 56.400 -0.025 0.000 0.950 27 E CB 1.167 30.857 29.700 -0.017 0.000 0.975 27 E HN 0.205 nan 8.360 nan 0.000 0.496 28 T N -2.400 112.138 114.554 -0.027 0.000 2.887 28 T HA 0.783 5.133 4.350 0.000 0.000 0.292 28 T C 0.206 174.893 174.700 -0.022 0.000 1.087 28 T CA -0.489 61.594 62.100 -0.029 0.000 1.009 28 T CB 2.580 71.440 68.868 -0.013 0.000 1.203 28 T HN -0.003 nan 8.240 nan 0.000 0.518 29 G N 0.271 109.060 108.800 -0.018 0.000 2.721 29 G HA2 0.740 4.700 3.960 0.000 0.000 0.296 29 G HA3 0.740 4.700 3.960 0.000 0.000 0.296 29 G C -1.654 173.271 174.900 0.041 0.000 1.383 29 G CA -1.327 43.784 45.100 0.018 0.000 0.788 29 G HN 1.001 nan 8.290 nan 0.000 0.500 30 R N -0.896 119.659 120.500 0.091 0.000 2.686 30 R HA 0.678 5.018 4.340 0.000 0.000 0.283 30 R C -1.210 175.151 176.300 0.101 0.000 0.978 30 R CA -0.816 55.335 56.100 0.084 0.000 0.897 30 R CB 2.093 32.433 30.300 0.065 0.000 1.192 30 R HN 0.283 nan 8.270 nan 0.000 0.457 31 V N 4.450 124.429 119.914 0.108 0.000 2.450 31 V HA -0.017 4.103 4.120 0.000 0.000 0.281 31 V C 1.444 177.583 176.094 0.075 0.000 1.019 31 V CA 0.179 62.550 62.300 0.118 0.000 1.062 31 V CB 0.377 32.290 31.823 0.150 0.000 0.979 31 V HN 0.737 nan 8.190 nan 0.000 0.477 32 L N 3.902 125.169 121.223 0.073 0.000 2.127 32 L HA 0.100 4.440 4.340 0.000 0.000 0.203 32 L C 0.981 177.870 176.870 0.031 0.000 1.080 32 L CA 1.004 55.872 54.840 0.046 0.000 0.768 32 L CB 0.057 42.150 42.059 0.058 0.000 0.924 32 L HN 0.858 nan 8.230 nan 0.000 0.444 33 S N -1.247 114.474 115.700 0.035 0.000 2.565 33 S HA 0.643 5.113 4.470 0.000 0.000 0.269 33 S C -1.039 173.571 174.600 0.017 0.000 1.153 33 S CA -0.801 57.410 58.200 0.019 0.000 0.835 33 S CB 2.603 65.810 63.200 0.011 0.000 1.122 33 S HN 0.028 nan 8.310 nan 0.000 0.462 34 I N 0.205 120.773 120.570 -0.003 0.000 2.649 34 I HA 0.810 4.980 4.170 0.000 0.000 0.289 34 I C -0.550 175.548 176.117 -0.031 0.000 1.222 34 I CA 0.389 61.676 61.300 -0.022 0.000 1.046 34 I CB 1.543 39.517 38.000 -0.044 0.000 1.272 34 I HN 1.315 nan 8.210 nan 0.000 0.425 35 G N 4.195 112.974 108.800 -0.036 0.000 2.667 35 G HA2 0.427 4.387 3.960 0.000 0.000 0.294 35 G HA3 0.427 4.387 3.960 0.000 0.000 0.294 35 G C -1.174 173.701 174.900 -0.041 0.000 1.467 35 G CA -0.443 44.635 45.100 -0.037 0.000 0.852 35 G HN 0.657 nan 8.290 nan 0.000 0.521 36 D N -0.402 119.974 120.400 -0.040 0.000 2.811 36 D HA -0.199 4.441 4.640 0.000 0.000 0.231 36 D C 1.644 177.914 176.300 -0.050 0.000 1.157 36 D CA 2.753 56.728 54.000 -0.041 0.000 0.716 36 D CB -1.162 39.615 40.800 -0.038 0.000 1.077 36 D HN 2.204 nan 8.370 nan 0.000 0.428 37 G N -1.131 107.633 108.800 -0.061 0.000 2.162 37 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 37 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 37 G C 0.193 175.047 174.900 -0.077 0.000 0.976 37 G CA 0.341 45.396 45.100 -0.075 0.000 0.655 37 G HN 0.476 nan 8.290 nan 0.000 0.533 38 I N 1.103 121.637 120.570 -0.061 0.000 2.339 38 I HA 0.688 4.858 4.170 0.000 0.000 0.290 38 I C 0.535 176.640 176.117 -0.020 0.000 0.994 38 I CA -1.114 60.161 61.300 -0.042 0.000 1.191 38 I CB 1.090 39.066 38.000 -0.040 0.000 1.343 38 I HN 0.330 nan 8.210 nan 0.000 0.458 39 A N 7.795 130.630 122.820 0.024 0.000 2.288 39 A HA 0.718 5.038 4.320 0.000 0.000 0.320 39 A C -0.095 177.541 177.584 0.086 0.000 1.217 39 A CA -0.762 51.322 52.037 0.078 0.000 0.840 39 A CB 0.900 20.019 19.000 0.199 0.000 1.179 39 A HN 0.566 nan 8.150 nan 0.000 0.504 40 R N 1.687 122.226 120.500 0.065 0.000 2.265 40 R HA 0.513 4.853 4.340 0.000 0.000 0.319 40 R C -1.089 175.256 176.300 0.076 0.000 1.006 40 R CA -0.372 55.760 56.100 0.053 0.000 0.880 40 R CB 1.280 31.602 30.300 0.036 0.000 1.077 40 R HN 0.435 nan 8.270 nan 0.000 0.454 41 V N 3.192 123.144 119.914 0.064 0.000 2.540 41 V HA 0.179 4.299 4.120 0.000 0.000 0.302 41 V C -0.162 175.974 176.094 0.070 0.000 1.035 41 V CA -0.990 61.353 62.300 0.071 0.000 0.873 41 V CB 1.656 33.498 31.823 0.031 0.000 0.992 41 V HN 0.733 nan 8.190 nan 0.000 0.428 42 H N 3.142 122.216 119.070 0.006 0.000 2.610 42 H HA 0.644 5.200 4.556 0.000 0.000 0.336 42 H C 0.582 175.906 175.328 -0.008 0.000 1.087 42 H CA 1.576 57.624 56.048 0.000 0.000 1.405 42 H CB 1.040 30.805 29.762 0.003 0.000 1.460 42 H HN 1.114 nan 8.280 nan 0.000 0.538 43 G N 2.764 111.306 108.800 -0.431 0.000 2.481 43 G HA2 -0.224 3.736 3.960 0.000 0.000 0.230 43 G HA3 -0.224 3.736 3.960 0.000 0.000 0.230 43 G C -0.093 174.728 174.900 -0.133 0.000 1.210 43 G CA -0.432 44.530 45.100 -0.231 0.000 0.936 43 G HN 1.212 nan 8.290 nan 0.000 0.583 44 L N -0.439 120.736 121.223 -0.080 0.000 3.678 44 L HA -0.225 4.115 4.340 0.000 0.000 0.425 44 L C 2.249 179.079 176.870 -0.066 0.000 1.240 44 L CA 0.802 55.601 54.840 -0.067 0.000 0.876 44 L CB -0.820 41.197 42.059 -0.070 0.000 1.766 44 L HN 0.632 nan 8.230 nan 0.000 0.917 45 R N -0.021 120.438 120.500 -0.069 0.000 2.159 45 R HA -0.079 4.261 4.340 0.000 0.000 0.237 45 R C 1.413 177.687 176.300 -0.042 0.000 1.131 45 R CA 1.409 57.472 56.100 -0.062 0.000 0.982 45 R CB -0.403 29.861 30.300 -0.060 0.000 0.868 45 R HN 0.550 nan 8.270 nan 0.000 0.453 46 N N -0.102 118.576 118.700 -0.036 0.000 2.280 46 N HA 0.004 4.744 4.740 0.000 0.000 0.192 46 N C -0.102 175.394 175.510 -0.024 0.000 1.109 46 N CA -0.048 52.986 53.050 -0.026 0.000 0.855 46 N CB 0.438 38.912 38.487 -0.021 0.000 0.974 46 N HN -0.093 nan 8.380 nan 0.000 0.482 47 V N 1.479 121.375 119.914 -0.029 0.000 2.740 47 V HA -0.013 4.107 4.120 0.000 0.000 0.303 47 V C 0.157 176.241 176.094 -0.017 0.000 1.054 47 V CA -0.018 62.267 62.300 -0.026 0.000 1.106 47 V CB 0.721 32.522 31.823 -0.037 0.000 0.957 47 V HN 0.264 nan 8.190 nan 0.000 0.486 48 Q N 4.134 123.929 119.800 -0.008 0.000 2.260 48 Q HA 0.631 4.971 4.340 0.000 0.000 0.242 48 Q C 0.090 176.092 176.000 0.005 0.000 0.932 48 Q CA -0.299 55.503 55.803 -0.000 0.000 0.891 48 Q CB 1.134 29.875 28.738 0.005 0.000 1.222 48 Q HN 0.958 nan 8.270 nan 0.000 0.453 49 A N 1.923 124.748 122.820 0.009 0.000 2.524 49 A HA 0.055 4.375 4.320 0.000 0.000 0.250 49 A C 0.021 177.621 177.584 0.028 0.000 1.078 49 A CA 0.236 52.284 52.037 0.017 0.000 0.761 49 A CB -0.341 18.672 19.000 0.021 0.000 1.012 49 A HN 0.943 nan 8.150 nan 0.000 0.500 50 E N -0.364 119.859 120.200 0.037 0.000 3.303 50 E HA -0.180 4.170 4.350 0.000 0.000 0.302 50 E C 0.047 176.687 176.600 0.067 0.000 0.902 50 E CA 1.097 57.533 56.400 0.060 0.000 1.042 50 E CB -1.463 28.270 29.700 0.055 0.000 1.528 50 E HN 0.924 nan 8.360 nan 0.000 0.424 51 E N 0.630 120.860 120.200 0.049 0.000 2.331 51 E HA 0.186 4.536 4.350 0.000 0.000 0.272 51 E C 0.129 176.775 176.600 0.075 0.000 1.036 51 E CA -0.542 55.886 56.400 0.047 0.000 0.864 51 E CB 0.632 30.343 29.700 0.019 0.000 1.035 51 E HN -0.033 nan 8.360 nan 0.000 0.408 52 M N 4.368 124.024 119.600 0.093 0.000 2.268 52 M HA 0.073 4.553 4.480 0.000 0.000 0.349 52 M C -0.354 175.977 176.300 0.053 0.000 1.485 52 M CA 0.085 55.459 55.300 0.124 0.000 1.094 52 M CB 0.223 32.889 32.600 0.110 0.000 1.843 52 M HN 0.411 nan 8.290 nan 0.000 0.460 53 V N 1.849 121.779 119.914 0.027 0.000 3.019 53 V HA 0.713 4.833 4.120 0.000 0.000 0.317 53 V C -0.464 175.580 176.094 -0.083 0.000 1.094 53 V CA -0.870 61.383 62.300 -0.079 0.000 1.000 53 V CB 2.344 34.045 31.823 -0.203 0.000 1.060 53 V HN 0.831 nan 8.190 nan 0.000 0.443 54 E N 1.491 121.607 120.200 -0.140 0.000 2.210 54 E HA 0.447 4.797 4.350 0.000 0.000 0.266 54 E C -1.771 174.732 176.600 -0.162 0.000 0.883 54 E CA -0.567 55.796 56.400 -0.063 0.000 0.761 54 E CB 1.772 31.476 29.700 0.008 0.000 1.156 54 E HN 0.646 nan 8.360 nan 0.000 0.412 55 F N 1.414 121.386 119.950 0.037 0.000 2.370 55 F HA 0.150 4.677 4.527 0.000 0.000 0.319 55 F C 2.039 177.855 175.800 0.025 0.000 1.129 55 F CA -0.218 57.799 58.000 0.028 0.000 1.109 55 F CB 1.100 40.115 39.000 0.025 0.000 1.262 55 F HN 0.461 nan 8.300 nan 0.000 0.534 56 S N -0.023 115.820 115.700 0.238 0.000 2.400 56 S HA -0.185 4.285 4.470 0.000 0.000 0.232 56 S C 2.092 176.757 174.600 0.108 0.000 1.025 56 S CA 1.631 59.910 58.200 0.131 0.000 0.993 56 S CB -0.424 62.840 63.200 0.108 0.000 0.808 56 S HN 0.712 nan 8.310 nan 0.000 0.478 57 S N -0.170 115.603 115.700 0.122 0.000 2.406 57 S HA 0.254 4.724 4.470 0.000 0.000 0.228 57 S C 1.683 176.332 174.600 0.082 0.000 1.020 57 S CA 0.961 59.209 58.200 0.080 0.000 0.965 57 S CB -0.192 63.039 63.200 0.053 0.000 0.798 57 S HN 0.709 nan 8.310 nan 0.000 0.488 58 G N 0.056 108.925 108.800 0.116 0.000 2.421 58 G HA2 -0.094 3.866 3.960 0.000 0.000 0.188 58 G HA3 -0.094 3.866 3.960 0.000 0.000 0.188 58 G C -0.219 174.762 174.900 0.135 0.000 1.001 58 G CA -0.327 44.835 45.100 0.103 0.000 0.693 58 G HN 0.303 nan 8.290 nan 0.000 0.479 59 L N 1.754 123.076 121.223 0.164 0.000 2.514 59 L HA 0.392 4.732 4.340 0.000 0.000 0.280 59 L C 0.900 177.961 176.870 0.319 0.000 1.223 59 L CA 0.699 55.658 54.840 0.199 0.000 0.864 59 L CB 0.274 42.405 42.059 0.121 0.000 1.118 59 L HN 0.211 nan 8.230 nan 0.000 0.494 60 K N 0.799 121.384 120.400 0.308 0.000 2.098 60 K HA 0.743 5.063 4.320 0.000 0.000 0.258 60 K C 0.117 176.989 176.600 0.453 0.000 0.973 60 K CA -0.448 56.052 56.287 0.356 0.000 0.898 60 K CB 1.556 34.254 32.500 0.329 0.000 1.057 60 K HN 0.800 nan 8.250 nan 0.000 0.447 61 G N 0.825 109.845 108.800 0.367 0.000 2.680 61 G HA2 0.613 4.573 3.960 0.000 0.000 0.290 61 G HA3 0.613 4.573 3.960 0.000 0.000 0.290 61 G C -1.683 173.259 174.900 0.070 0.000 1.355 61 G CA -0.725 44.492 45.100 0.195 0.000 0.903 61 G HN 0.487 nan 8.290 nan 0.000 0.474 62 M N 1.058 120.563 119.600 -0.158 0.000 2.253 62 M HA 0.419 4.899 4.480 0.000 0.000 0.314 62 M C -0.520 175.755 176.300 -0.041 0.000 1.019 62 M CA -0.611 54.668 55.300 -0.035 0.000 0.932 62 M CB 1.819 34.388 32.600 -0.051 0.000 1.606 62 M HN 0.370 nan 8.290 nan 0.000 0.430 63 S N 6.009 121.707 115.700 -0.004 0.000 2.700 63 S HA 0.205 4.675 4.470 0.000 0.000 0.321 63 S C 0.904 175.502 174.600 -0.003 0.000 1.161 63 S CA -0.335 57.858 58.200 -0.012 0.000 1.078 63 S CB -0.232 62.960 63.200 -0.013 0.000 1.302 63 S HN 0.723 nan 8.310 nan 0.000 0.540 64 L N 1.785 122.998 121.223 -0.016 0.000 2.408 64 L HA 0.200 4.540 4.340 0.000 0.000 0.215 64 L C 0.063 176.930 176.870 -0.004 0.000 1.081 64 L CA 0.455 55.291 54.840 -0.007 0.000 0.840 64 L CB 0.050 42.091 42.059 -0.030 0.000 1.002 64 L HN 0.382 nan 8.230 nan 0.000 0.468 65 N N 0.643 119.335 118.700 -0.013 0.000 2.479 65 N HA 0.384 5.124 4.740 0.000 0.000 0.261 65 N C -1.055 174.448 175.510 -0.011 0.000 0.979 65 N CA -0.106 52.937 53.050 -0.011 0.000 0.930 65 N CB 1.412 39.889 38.487 -0.017 0.000 1.172 65 N HN -0.018 nan 8.380 nan 0.000 0.499 66 L N 2.051 123.269 121.223 -0.008 0.000 2.255 66 L HA 0.413 4.753 4.340 0.000 0.000 0.289 66 L C 0.441 177.303 176.870 -0.013 0.000 1.046 66 L CA -0.303 54.529 54.840 -0.013 0.000 0.816 66 L CB 0.598 42.651 42.059 -0.011 0.000 1.197 66 L HN 0.356 nan 8.230 nan 0.000 0.427 67 E N 3.611 123.802 120.200 -0.017 0.000 2.264 67 E HA 0.325 4.675 4.350 0.000 0.000 0.260 67 E C -1.730 174.858 176.600 -0.019 0.000 0.961 67 E CA -1.794 54.597 56.400 -0.014 0.000 0.834 67 E CB 1.625 31.319 29.700 -0.010 0.000 1.230 67 E HN 0.296 nan 8.360 nan 0.000 0.412 68 P HA -0.155 nan 4.420 nan 0.000 0.218 68 P C 0.315 177.599 177.300 -0.026 0.000 1.148 68 P CA 1.324 64.413 63.100 -0.018 0.000 0.822 68 P CB 0.169 31.863 31.700 -0.010 0.000 0.784 69 D N -2.223 118.167 120.400 -0.018 0.000 2.503 69 D HA 0.070 4.710 4.640 0.000 0.000 0.218 69 D C -0.126 176.166 176.300 -0.014 0.000 1.183 69 D CA -0.314 53.677 54.000 -0.015 0.000 0.827 69 D CB -0.794 40.018 40.800 0.020 0.000 1.034 69 D HN 0.308 nan 8.370 nan 0.000 0.510 70 N N -1.389 117.298 118.700 -0.022 0.000 2.859 70 N HA 0.393 5.133 4.740 0.000 0.000 0.250 70 N C -1.914 173.584 175.510 -0.020 0.000 1.341 70 N CA -0.931 52.112 53.050 -0.011 0.000 0.881 70 N CB 1.713 40.212 38.487 0.019 0.000 1.516 70 N HN -0.205 nan 8.380 nan 0.000 0.503 71 V N 0.183 120.088 119.914 -0.016 0.000 2.435 71 V HA 0.774 4.894 4.120 0.000 0.000 0.290 71 V C 0.747 176.841 176.094 -0.000 0.000 1.030 71 V CA -0.584 61.706 62.300 -0.016 0.000 0.881 71 V CB 1.284 33.089 31.823 -0.030 0.000 0.983 71 V HN 0.880 nan 8.190 nan 0.000 0.445 72 G N 3.526 112.323 108.800 -0.005 0.000 2.327 72 G HA2 0.526 4.486 3.960 0.000 0.000 0.302 72 G HA3 0.526 4.486 3.960 0.000 0.000 0.302 72 G C -0.745 174.153 174.900 -0.004 0.000 1.113 72 G CA -0.214 44.884 45.100 -0.003 0.000 0.921 72 G HN 0.540 nan 8.290 nan 0.000 0.425 73 V N 3.871 123.800 119.914 0.025 0.000 2.417 73 V HA 0.421 4.541 4.120 0.000 0.000 0.291 73 V C 0.489 176.591 176.094 0.014 0.000 1.024 73 V CA -0.822 61.501 62.300 0.038 0.000 0.861 73 V CB 1.465 33.362 31.823 0.123 0.000 0.985 73 V HN 0.767 nan 8.190 nan 0.000 0.436 74 V N 3.952 123.816 119.914 -0.083 0.000 2.567 74 V HA 0.687 4.807 4.120 0.000 0.000 0.289 74 V C -0.163 175.797 176.094 -0.224 0.000 1.049 74 V CA -0.421 61.782 62.300 -0.161 0.000 0.969 74 V CB 1.554 33.241 31.823 -0.227 0.000 0.995 74 V HN 0.491 nan 8.190 nan 0.000 0.471 75 V N 5.503 125.313 119.914 -0.174 0.000 2.370 75 V HA 0.354 4.474 4.120 0.000 0.000 0.279 75 V C 0.074 176.113 176.094 -0.092 0.000 1.029 75 V CA -0.175 62.056 62.300 -0.114 0.000 0.870 75 V CB 0.948 32.681 31.823 -0.149 0.000 0.984 75 V HN 0.829 nan 8.190 nan 0.000 0.451 76 F N 4.534 124.548 119.950 0.107 0.000 2.859 76 F HA 0.566 5.093 4.527 0.000 0.000 0.315 76 F C 1.196 177.037 175.800 0.069 0.000 1.207 76 F CA 0.269 58.327 58.000 0.096 0.000 1.370 76 F CB -0.210 38.855 39.000 0.109 0.000 1.314 76 F HN 0.709 nan 8.300 nan 0.000 0.555 77 G N -0.022 108.883 108.800 0.176 0.000 2.392 77 G HA2 0.001 3.961 3.960 0.000 0.000 0.260 77 G HA3 0.001 3.961 3.960 0.000 0.000 0.260 77 G C -1.294 173.627 174.900 0.035 0.000 1.226 77 G CA -1.055 44.109 45.100 0.106 0.000 0.913 77 G HN -0.056 nan 8.290 nan 0.000 0.483 78 N N 1.433 120.140 118.700 0.012 0.000 2.466 78 N HA 0.188 4.928 4.740 0.000 0.000 0.263 78 N C 1.134 176.602 175.510 -0.070 0.000 1.178 78 N CA 0.477 53.516 53.050 -0.018 0.000 0.983 78 N CB 0.564 39.046 38.487 -0.009 0.000 1.331 78 N HN 0.531 nan 8.380 nan 0.000 0.500 79 D N 1.605 121.949 120.400 -0.093 0.000 2.351 79 D HA -0.202 4.438 4.640 0.000 0.000 0.216 79 D C 1.485 177.702 176.300 -0.137 0.000 0.968 79 D CA 0.813 54.716 54.000 -0.162 0.000 0.899 79 D CB 0.110 40.823 40.800 -0.145 0.000 0.907 79 D HN 0.532 nan 8.370 nan 0.000 0.514 80 K N 1.251 121.599 120.400 -0.085 0.000 2.280 80 K HA -0.126 4.194 4.320 0.000 0.000 0.202 80 K C 1.498 178.058 176.600 -0.067 0.000 1.047 80 K CA 0.763 57.012 56.287 -0.065 0.000 0.942 80 K CB -0.175 32.301 32.500 -0.039 0.000 0.739 80 K HN 0.323 nan 8.250 nan 0.000 0.457 81 L N 1.185 122.360 121.223 -0.081 0.000 2.554 81 L HA 0.178 4.518 4.340 0.000 0.000 0.226 81 L C 0.764 177.581 176.870 -0.089 0.000 1.137 81 L CA -0.078 54.721 54.840 -0.068 0.000 0.863 81 L CB -0.006 42.022 42.059 -0.052 0.000 0.985 81 L HN 0.091 nan 8.230 nan 0.000 0.451 82 I N 0.132 120.614 120.570 -0.147 0.000 2.440 82 I HA 0.178 4.348 4.170 0.000 0.000 0.294 82 I C 0.012 176.083 176.117 -0.077 0.000 0.995 82 I CA -0.063 61.141 61.300 -0.160 0.000 1.306 82 I CB 1.158 38.937 38.000 -0.369 0.000 1.407 82 I HN -0.008 nan 8.210 nan 0.000 0.501 83 K N 4.347 124.732 120.400 -0.026 0.000 2.385 83 K HA 0.327 4.648 4.320 0.000 0.000 0.248 83 K C -0.727 175.883 176.600 0.017 0.000 0.955 83 K CA -0.967 55.316 56.287 -0.006 0.000 0.816 83 K CB 1.974 34.475 32.500 0.001 0.000 1.250 83 K HN 0.495 nan 8.250 nan 0.000 0.434 84 E N 0.497 120.705 120.200 0.013 0.000 2.608 84 E HA -0.107 4.243 4.350 0.000 0.000 0.259 84 E C 0.539 177.155 176.600 0.026 0.000 0.951 84 E CA 1.553 57.965 56.400 0.021 0.000 0.945 84 E CB 0.113 29.818 29.700 0.009 0.000 0.916 84 E HN 0.797 nan 8.360 nan 0.000 0.477 85 G N 4.076 112.898 108.800 0.036 0.000 2.217 85 G HA2 -0.231 3.729 3.960 0.000 0.000 0.246 85 G HA3 -0.231 3.729 3.960 0.000 0.000 0.246 85 G C -0.086 174.846 174.900 0.052 0.000 0.990 85 G CA 0.116 45.236 45.100 0.033 0.000 0.627 85 G HN 0.656 nan 8.290 nan 0.000 0.522 86 D N 0.690 121.136 120.400 0.077 0.000 2.472 86 D HA 0.370 5.010 4.640 0.000 0.000 0.237 86 D C 0.882 177.248 176.300 0.109 0.000 1.141 86 D CA 0.096 54.159 54.000 0.105 0.000 0.875 86 D CB 0.614 41.508 40.800 0.157 0.000 1.192 86 D HN 0.198 nan 8.370 nan 0.000 0.450 87 I N 1.709 122.330 120.570 0.085 0.000 2.519 87 I HA 0.095 4.265 4.170 0.000 0.000 0.287 87 I C 0.113 176.244 176.117 0.024 0.000 1.047 87 I CA -0.107 61.222 61.300 0.048 0.000 1.381 87 I CB 1.093 39.112 38.000 0.032 0.000 1.417 87 I HN 0.010 nan 8.210 nan 0.000 0.540 88 V N 6.209 126.088 119.914 -0.058 0.000 2.656 88 V HA 0.541 4.661 4.120 0.000 0.000 0.307 88 V C -0.285 175.716 176.094 -0.156 0.000 1.051 88 V CA -1.021 61.145 62.300 -0.223 0.000 0.893 88 V CB 1.938 33.539 31.823 -0.371 0.000 0.999 88 V HN 0.609 nan 8.190 nan 0.000 0.426 89 K N 2.665 122.967 120.400 -0.163 0.000 2.385 89 K HA 0.646 4.966 4.320 0.000 0.000 0.248 89 K C -0.561 175.981 176.600 -0.097 0.000 0.955 89 K CA -0.965 55.264 56.287 -0.096 0.000 0.816 89 K CB 2.600 35.068 32.500 -0.054 0.000 1.250 89 K HN 0.530 nan 8.250 nan 0.000 0.434 90 R N 0.327 120.788 120.500 -0.065 0.000 2.694 90 R HA 0.013 4.353 4.340 0.000 0.000 0.268 90 R C 1.028 177.311 176.300 -0.030 0.000 1.061 90 R CA 0.444 56.516 56.100 -0.047 0.000 1.133 90 R CB 0.403 30.683 30.300 -0.033 0.000 1.020 90 R HN 0.842 nan 8.270 nan 0.000 0.475 91 T N -2.348 112.196 114.554 -0.016 0.000 2.990 91 T HA 0.171 4.521 4.350 0.000 0.000 0.250 91 T C 1.338 176.036 174.700 -0.002 0.000 1.041 91 T CA 0.364 62.461 62.100 -0.004 0.000 1.010 91 T CB 0.590 69.464 68.868 0.009 0.000 1.003 91 T HN 0.811 nan 8.240 nan 0.000 0.499 92 G N 1.418 110.216 108.800 -0.004 0.000 2.205 92 G HA2 -0.024 3.936 3.960 0.000 0.000 0.261 92 G HA3 -0.024 3.936 3.960 0.000 0.000 0.261 92 G C 0.232 175.134 174.900 0.003 0.000 0.980 92 G CA -0.088 45.011 45.100 -0.002 0.000 0.632 92 G HN 1.351 nan 8.290 nan 0.000 0.533 93 A N 0.752 123.577 122.820 0.008 0.000 2.331 93 A HA 0.751 5.071 4.320 0.000 0.000 0.320 93 A C 0.349 177.945 177.584 0.022 0.000 1.138 93 A CA -0.718 51.325 52.037 0.011 0.000 0.790 93 A CB 0.909 19.914 19.000 0.008 0.000 1.206 93 A HN 0.531 nan 8.150 nan 0.000 0.470 94 I N 2.259 122.840 120.570 0.019 0.000 2.775 94 I HA -0.032 4.138 4.170 0.000 0.000 0.290 94 I C 0.802 176.937 176.117 0.030 0.000 1.203 94 I CA 0.215 61.531 61.300 0.027 0.000 1.433 94 I CB 0.371 38.380 38.000 0.015 0.000 1.354 94 I HN 0.378 nan 8.210 nan 0.000 0.579 95 V N 7.254 127.201 119.914 0.055 0.000 2.583 95 V HA -0.080 4.040 4.120 0.000 0.000 0.302 95 V C 0.404 176.498 176.094 -0.000 0.000 1.033 95 V CA 0.500 62.829 62.300 0.049 0.000 1.194 95 V CB -0.348 31.544 31.823 0.114 0.000 0.879 95 V HN 0.936 nan 8.190 nan 0.000 0.482 96 D N 4.422 124.808 120.400 -0.023 0.000 2.610 96 D HA 0.729 5.369 4.640 0.000 0.000 0.271 96 D C -0.702 175.567 176.300 -0.052 0.000 1.174 96 D CA -0.500 53.481 54.000 -0.032 0.000 0.949 96 D CB 2.278 43.066 40.800 -0.020 0.000 1.430 96 D HN 0.494 nan 8.370 nan 0.000 0.467 97 V N -4.949 114.938 119.914 -0.046 0.000 3.114 97 V HA 0.730 4.851 4.120 0.000 0.000 0.308 97 V C -2.937 173.125 176.094 -0.054 0.000 1.168 97 V CA -2.128 60.139 62.300 -0.054 0.000 1.015 97 V CB 1.851 33.645 31.823 -0.049 0.000 1.050 97 V HN 0.597 nan 8.190 nan 0.000 0.433 98 P HA 0.404 nan 4.420 nan 0.000 0.272 98 P C -0.828 176.407 177.300 -0.108 0.000 1.223 98 P CA 0.048 63.100 63.100 -0.080 0.000 0.784 98 P CB 1.861 33.517 31.700 -0.073 0.000 0.923 99 V N 0.734 120.544 119.914 -0.173 0.000 3.087 99 V HA 0.833 4.953 4.120 0.000 0.000 0.306 99 V C -0.195 175.569 176.094 -0.549 0.000 1.187 99 V CA 0.444 62.573 62.300 -0.286 0.000 0.999 99 V CB 1.699 33.401 31.823 -0.201 0.000 1.049 99 V HN 1.081 nan 8.190 nan 0.000 0.431 100 G N 3.848 112.099 108.800 -0.916 0.000 2.334 100 G HA2 0.017 3.977 3.960 0.000 0.000 0.315 100 G HA3 0.017 3.977 3.960 0.000 0.000 0.315 100 G C -0.079 174.430 174.900 -0.652 0.000 1.284 100 G CA 0.061 44.378 45.100 -1.304 0.000 0.985 100 G HN 0.725 nan 8.290 nan 0.000 0.504 101 E N 0.385 120.353 120.200 -0.388 0.000 2.358 101 E HA -0.062 4.288 4.350 0.000 0.000 0.195 101 E C 2.041 178.637 176.600 -0.006 0.000 1.010 101 E CA 1.006 57.387 56.400 -0.032 0.000 0.856 101 E CB 0.077 29.812 29.700 0.058 0.000 0.795 101 E HN 0.619 nan 8.360 nan 0.000 0.504 102 E N 0.883 121.039 120.200 -0.073 0.000 2.409 102 E HA -0.156 4.194 4.350 0.000 0.000 0.198 102 E C 1.811 178.401 176.600 -0.018 0.000 1.024 102 E CA 0.614 56.991 56.400 -0.038 0.000 0.861 102 E CB -0.231 29.434 29.700 -0.059 0.000 0.788 102 E HN 0.333 nan 8.360 nan 0.000 0.521 103 L N 0.606 121.818 121.223 -0.017 0.000 2.418 103 L HA 0.107 4.447 4.340 0.000 0.000 0.218 103 L C 1.258 178.164 176.870 0.060 0.000 1.125 103 L CA 0.031 54.880 54.840 0.014 0.000 0.835 103 L CB -0.121 41.943 42.059 0.007 0.000 0.953 103 L HN 0.004 nan 8.230 nan 0.000 0.454 104 L N 0.348 121.628 121.223 0.096 0.000 2.490 104 L HA 0.111 4.451 4.340 0.000 0.000 0.274 104 L C 1.419 178.325 176.870 0.061 0.000 1.201 104 L CA 0.733 55.642 54.840 0.116 0.000 0.869 104 L CB 0.101 42.265 42.059 0.174 0.000 1.123 104 L HN 0.365 nan 8.230 nan 0.000 0.484 105 G N 1.747 110.566 108.800 0.033 0.000 2.179 105 G HA2 -0.214 3.746 3.960 0.000 0.000 0.260 105 G HA3 -0.214 3.746 3.960 0.000 0.000 0.260 105 G C 0.194 175.092 174.900 -0.003 0.000 0.977 105 G CA -0.324 44.773 45.100 -0.004 0.000 0.641 105 G HN 0.466 nan 8.290 nan 0.000 0.533 106 R N -0.360 120.147 120.500 0.012 0.000 2.664 106 R HA 0.685 5.025 4.340 0.000 0.000 0.286 106 R C -0.257 176.053 176.300 0.016 0.000 0.967 106 R CA -0.842 55.265 56.100 0.010 0.000 0.933 106 R CB 1.809 32.116 30.300 0.012 0.000 1.146 106 R HN 0.227 nan 8.270 nan 0.000 0.468 107 V N 2.956 122.878 119.914 0.013 0.000 2.370 107 V HA 0.418 4.538 4.120 0.000 0.000 0.283 107 V C 0.373 176.480 176.094 0.022 0.000 1.023 107 V CA -0.776 61.538 62.300 0.023 0.000 0.857 107 V CB 1.304 33.137 31.823 0.018 0.000 0.985 107 V HN 0.583 nan 8.190 nan 0.000 0.443 108 V N 1.253 121.183 119.914 0.027 0.000 3.046 108 V HA 0.823 4.943 4.120 0.000 0.000 0.316 108 V C -0.318 175.791 176.094 0.024 0.000 1.104 108 V CA -0.882 61.429 62.300 0.019 0.000 1.006 108 V CB 2.081 33.910 31.823 0.011 0.000 1.058 108 V HN 0.782 nan 8.190 nan 0.000 0.440 109 D N 1.584 121.994 120.400 0.016 0.000 2.478 109 D HA 0.498 5.138 4.640 0.000 0.000 0.274 109 D C 1.243 177.547 176.300 0.006 0.000 1.234 109 D CA 0.040 54.052 54.000 0.019 0.000 1.069 109 D CB 0.949 41.761 40.800 0.020 0.000 1.113 109 D HN 0.807 nan 8.370 nan 0.000 0.571 110 A N -0.699 122.124 122.820 0.005 0.000 2.024 110 A HA -0.086 4.234 4.320 0.000 0.000 0.220 110 A C 2.231 179.771 177.584 -0.073 0.000 1.164 110 A CA 1.187 53.215 52.037 -0.016 0.000 0.643 110 A CB -0.929 18.076 19.000 0.010 0.000 0.806 110 A HN 0.535 nan 8.150 nan 0.000 0.451 111 L N -1.550 119.616 121.223 -0.095 0.000 2.591 111 L HA 0.255 4.595 4.340 0.000 0.000 0.228 111 L C 1.592 178.416 176.870 -0.076 0.000 1.133 111 L CA 0.496 55.256 54.840 -0.133 0.000 0.880 111 L CB -0.193 41.775 42.059 -0.152 0.000 1.033 111 L HN 0.525 nan 8.230 nan 0.000 0.450 112 G N -0.089 108.684 108.800 -0.045 0.000 2.132 112 G HA2 -0.242 3.718 3.960 0.000 0.000 0.234 112 G HA3 -0.242 3.718 3.960 0.000 0.000 0.234 112 G C -0.023 174.862 174.900 -0.024 0.000 0.989 112 G CA -0.343 44.739 45.100 -0.030 0.000 0.676 112 G HN 0.352 nan 8.290 nan 0.000 0.522 113 N N 0.867 119.556 118.700 -0.019 0.000 2.530 113 N HA 0.533 5.273 4.740 0.000 0.000 0.273 113 N C 0.635 176.144 175.510 -0.002 0.000 1.173 113 N CA 0.597 53.641 53.050 -0.010 0.000 0.967 113 N CB 1.322 39.807 38.487 -0.004 0.000 1.109 113 N HN 0.702 nan 8.380 nan 0.000 0.453 114 A N 1.816 124.635 122.820 -0.001 0.000 2.477 114 A HA 0.251 4.571 4.320 0.000 0.000 0.246 114 A C 1.274 178.862 177.584 0.007 0.000 1.078 114 A CA -0.199 51.840 52.037 0.003 0.000 0.770 114 A CB -0.442 18.558 19.000 0.000 0.000 1.011 114 A HN 0.821 nan 8.150 nan 0.000 0.494 115 I N -0.962 119.615 120.570 0.010 0.000 4.147 115 I HA 0.247 4.417 4.170 0.000 0.000 0.329 115 I C 0.261 176.384 176.117 0.010 0.000 1.424 115 I CA 0.006 61.314 61.300 0.013 0.000 1.127 115 I CB 0.450 38.461 38.000 0.019 0.000 1.128 115 I HN 0.456 nan 8.210 nan 0.000 0.417 116 D N 1.268 121.671 120.400 0.006 0.000 2.350 116 D HA 0.150 4.790 4.640 0.000 0.000 0.213 116 D C 1.700 178.000 176.300 -0.000 0.000 1.031 116 D CA 0.675 54.676 54.000 0.002 0.000 0.861 116 D CB 0.056 40.855 40.800 -0.001 0.000 0.926 116 D HN 0.435 nan 8.370 nan 0.000 0.520 117 G N 0.753 109.554 108.800 0.002 0.000 2.143 117 G HA2 -0.365 3.595 3.960 0.000 0.000 0.248 117 G HA3 -0.365 3.595 3.960 0.000 0.000 0.248 117 G C 0.771 175.671 174.900 -0.001 0.000 0.991 117 G CA 0.396 45.497 45.100 0.001 0.000 0.689 117 G HN 0.452 nan 8.290 nan 0.000 0.522 118 K N 0.234 120.633 120.400 -0.002 0.000 2.410 118 K HA 0.467 4.787 4.320 0.000 0.000 0.200 118 K C 1.365 177.964 176.600 -0.002 0.000 1.023 118 K CA 0.448 56.733 56.287 -0.003 0.000 1.149 118 K CB 0.403 32.901 32.500 -0.004 0.000 0.859 118 K HN 1.433 nan 8.250 nan 0.000 0.514 119 G N 2.180 110.979 108.800 -0.001 0.000 2.631 119 G HA2 -0.174 3.786 3.960 0.000 0.000 0.504 119 G HA3 -0.174 3.786 3.960 0.000 0.000 0.504 119 G C -2.812 172.087 174.900 -0.003 0.000 1.306 119 G CA -1.322 43.777 45.100 -0.002 0.000 0.897 119 G HN -0.019 nan 8.290 nan 0.000 0.520 120 P HA 0.419 nan 4.420 nan 0.000 0.269 120 P C 0.367 177.660 177.300 -0.011 0.000 1.215 120 P CA -0.533 62.562 63.100 -0.007 0.000 0.780 120 P CB 0.391 32.087 31.700 -0.008 0.000 0.898 121 I N 1.831 122.392 120.570 -0.016 0.000 2.436 121 I HA 0.086 4.256 4.170 0.000 0.000 0.289 121 I C 1.489 177.588 176.117 -0.029 0.000 1.083 121 I CA 0.219 61.505 61.300 -0.023 0.000 1.372 121 I CB -0.075 37.907 38.000 -0.029 0.000 1.408 121 I HN 0.488 nan 8.210 nan 0.000 0.516 122 G N 4.738 113.521 108.800 -0.029 0.000 3.284 122 G HA2 0.051 4.011 3.960 0.000 0.000 0.251 122 G HA3 0.051 4.011 3.960 0.000 0.000 0.251 122 G C 0.546 175.419 174.900 -0.046 0.000 0.913 122 G CA -0.124 44.958 45.100 -0.030 0.000 1.947 122 G HN 0.597 nan 8.290 nan 0.000 0.635 123 S N 0.046 115.713 115.700 -0.054 0.000 2.499 123 S HA 0.221 4.691 4.470 0.000 0.000 0.275 123 S C 1.420 175.978 174.600 -0.070 0.000 1.257 123 S CA -0.580 57.572 58.200 -0.079 0.000 1.050 123 S CB 1.247 64.395 63.200 -0.086 0.000 0.937 123 S HN 0.544 nan 8.310 nan 0.000 0.490 124 K N 3.252 123.601 120.400 -0.084 0.000 2.211 124 K HA 0.263 4.583 4.320 0.000 0.000 0.201 124 K C 0.415 176.980 176.600 -0.059 0.000 1.052 124 K CA 0.575 56.825 56.287 -0.061 0.000 0.973 124 K CB 0.085 32.554 32.500 -0.053 0.000 0.766 124 K HN 0.689 nan 8.250 nan 0.000 0.466 125 A N 1.034 123.801 122.820 -0.089 0.000 2.401 125 A HA 0.630 4.950 4.320 0.000 0.000 0.310 125 A C -1.002 176.535 177.584 -0.078 0.000 1.075 125 A CA -0.924 51.072 52.037 -0.069 0.000 0.746 125 A CB 1.251 20.218 19.000 -0.055 0.000 1.277 125 A HN 0.180 nan 8.150 nan 0.000 0.425 126 R N 0.281 120.752 120.500 -0.048 0.000 2.892 126 R HA 0.771 5.111 4.340 0.000 0.000 0.265 126 R C -0.796 175.487 176.300 -0.028 0.000 1.025 126 R CA -0.891 55.183 56.100 -0.045 0.000 0.982 126 R CB 2.319 32.598 30.300 -0.035 0.000 1.185 126 R HN 0.741 nan 8.270 nan 0.000 0.484 127 R N 0.781 121.265 120.500 -0.025 0.000 2.564 127 R HA 0.261 4.601 4.340 0.000 0.000 0.284 127 R C -0.843 175.450 176.300 -0.011 0.000 1.031 127 R CA -0.775 55.318 56.100 -0.011 0.000 0.904 127 R CB 1.994 32.293 30.300 -0.002 0.000 1.199 127 R HN 0.501 nan 8.270 nan 0.000 0.443 128 R N 1.693 122.189 120.500 -0.008 0.000 2.538 128 R HA -0.042 4.298 4.340 0.000 0.000 0.282 128 R C 1.614 177.906 176.300 -0.014 0.000 1.009 128 R CA 0.223 56.316 56.100 -0.012 0.000 1.063 128 R CB 0.675 30.969 30.300 -0.011 0.000 0.945 128 R HN 0.537 nan 8.270 nan 0.000 0.414 129 V N 1.236 121.136 119.914 -0.024 0.000 2.626 129 V HA -0.001 4.119 4.120 0.000 0.000 0.252 129 V C 1.199 177.262 176.094 -0.052 0.000 1.067 129 V CA 1.812 64.101 62.300 -0.020 0.000 1.081 129 V CB -0.237 31.568 31.823 -0.030 0.000 0.686 129 V HN 0.831 nan 8.190 nan 0.000 0.468 130 G N 0.483 109.224 108.800 -0.098 0.000 3.820 130 G HA2 0.451 4.411 3.960 0.000 0.000 0.293 130 G HA3 0.451 4.411 3.960 0.000 0.000 0.293 130 G C 0.171 175.024 174.900 -0.078 0.000 1.152 130 G CA -0.491 44.517 45.100 -0.153 0.000 0.921 130 G HN 0.418 nan 8.290 nan 0.000 0.544 131 L N 0.515 121.717 121.223 -0.035 0.000 2.453 131 L HA 0.183 4.524 4.340 0.000 0.000 0.272 131 L C 0.910 177.771 176.870 -0.015 0.000 1.182 131 L CA -0.275 54.555 54.840 -0.016 0.000 0.858 131 L CB 0.799 42.857 42.059 -0.002 0.000 1.120 131 L HN 0.102 nan 8.230 nan 0.000 0.474 132 K N 1.907 122.301 120.400 -0.011 0.000 2.485 132 K HA 0.182 4.502 4.320 0.000 0.000 0.277 132 K C 0.113 176.707 176.600 -0.009 0.000 0.990 132 K CA -0.187 56.096 56.287 -0.008 0.000 0.994 132 K CB 0.709 33.209 32.500 0.001 0.000 0.906 132 K HN 0.684 nan 8.250 nan 0.000 0.488 133 A N 5.110 127.923 122.820 -0.010 0.000 2.406 133 A HA 0.239 4.559 4.320 0.000 0.000 0.243 133 A C -2.108 175.458 177.584 -0.030 0.000 1.082 133 A CA -1.102 50.927 52.037 -0.015 0.000 0.786 133 A CB -0.426 18.566 19.000 -0.013 0.000 1.029 133 A HN 0.567 nan 8.150 nan 0.000 0.495 134 P HA 0.254 nan 4.420 nan 0.000 0.267 134 P C 0.635 177.885 177.300 -0.084 0.000 1.200 134 P CA 0.477 63.522 63.100 -0.092 0.000 0.772 134 P CB 0.507 32.134 31.700 -0.122 0.000 0.855 135 G N 1.483 110.219 108.800 -0.105 0.000 2.494 135 G HA2 0.154 4.114 3.960 0.000 0.000 0.270 135 G HA3 0.154 4.114 3.960 0.000 0.000 0.270 135 G C 1.028 175.877 174.900 -0.085 0.000 1.423 135 G CA -0.531 44.523 45.100 -0.075 0.000 1.055 135 G HN 0.323 nan 8.290 nan 0.000 0.536 136 I N 0.242 120.778 120.570 -0.057 0.000 2.142 136 I HA -0.123 4.047 4.170 0.000 0.000 0.240 136 I C 2.834 178.911 176.117 -0.067 0.000 1.078 136 I CA 1.008 62.281 61.300 -0.045 0.000 1.343 136 I CB -0.938 37.050 38.000 -0.020 0.000 1.046 136 I HN 0.249 nan 8.210 nan 0.000 0.405 137 I N 1.243 121.766 120.570 -0.078 0.000 2.179 137 I HA -0.166 4.004 4.170 0.000 0.000 0.242 137 I C -0.127 175.899 176.117 -0.152 0.000 1.088 137 I CA 1.598 62.857 61.300 -0.067 0.000 1.357 137 I CB -2.948 35.045 38.000 -0.011 0.000 1.051 137 I HN 0.151 nan 8.210 nan 0.000 0.409 138 P HA -0.082 nan 4.420 nan 0.000 0.228 138 P C 0.434 177.559 177.300 -0.293 0.000 1.151 138 P CA 1.046 63.680 63.100 -0.776 0.000 0.770 138 P CB 0.046 31.077 31.700 -1.116 0.000 0.786 139 R N -0.441 119.966 120.500 -0.156 0.000 2.549 139 R HA 0.694 5.034 4.340 0.000 0.000 0.267 139 R C -0.038 176.253 176.300 -0.016 0.000 1.045 139 R CA -0.795 55.263 56.100 -0.069 0.000 1.115 139 R CB 1.081 31.346 30.300 -0.057 0.000 1.121 139 R HN 0.010 nan 8.270 nan 0.000 0.543 140 I N -0.432 120.140 120.570 0.004 0.000 3.006 140 I HA 0.189 4.359 4.170 0.000 0.000 0.306 140 I C -0.566 175.558 176.117 0.013 0.000 1.250 140 I CA -0.668 60.641 61.300 0.016 0.000 0.996 140 I CB 2.369 40.388 38.000 0.031 0.000 1.261 140 I HN 0.828 nan 8.210 nan 0.000 0.442 141 S N 4.460 120.167 115.700 0.012 0.000 2.560 141 S HA 0.225 4.695 4.470 0.000 0.000 0.284 141 S C -0.141 174.464 174.600 0.008 0.000 1.327 141 S CA -0.727 57.479 58.200 0.009 0.000 1.055 141 S CB 0.840 64.045 63.200 0.008 0.000 0.868 141 S HN 0.418 nan 8.310 nan 0.000 0.506 142 V N 4.208 124.126 119.914 0.006 0.000 2.557 142 V HA 0.120 4.240 4.120 0.000 0.000 0.301 142 V C 1.315 177.406 176.094 -0.005 0.000 1.026 142 V CA 0.557 62.858 62.300 0.001 0.000 1.137 142 V CB -0.171 31.652 31.823 -0.000 0.000 0.917 142 V HN 1.003 nan 8.190 nan 0.000 0.484 143 R N 2.363 122.855 120.500 -0.013 0.000 2.504 143 R HA 0.237 4.577 4.340 0.000 0.000 0.341 143 R C 0.011 176.287 176.300 -0.041 0.000 0.905 143 R CA -0.254 55.834 56.100 -0.020 0.000 1.133 143 R CB 0.981 31.276 30.300 -0.010 0.000 1.704 143 R HN 0.684 nan 8.270 nan 0.000 0.503 144 E N 1.971 122.134 120.200 -0.061 0.000 2.179 144 E HA 0.300 4.650 4.350 0.000 0.000 0.275 144 E C -2.640 173.886 176.600 -0.124 0.000 0.945 144 E CA -2.241 54.092 56.400 -0.111 0.000 0.792 144 E CB 2.138 31.738 29.700 -0.167 0.000 1.125 144 E HN -0.177 nan 8.360 nan 0.000 0.397 145 P HA 0.016 nan 4.420 nan 0.000 0.271 145 P C -0.679 176.512 177.300 -0.181 0.000 1.220 145 P CA 0.014 63.034 63.100 -0.134 0.000 0.768 145 P CB 0.410 32.031 31.700 -0.131 0.000 0.848 146 M N 3.968 123.493 119.600 -0.125 0.000 2.060 146 M HA 0.153 4.633 4.480 0.000 0.000 0.342 146 M C -0.699 175.561 176.300 -0.066 0.000 1.031 146 M CA -0.401 54.826 55.300 -0.121 0.000 0.981 146 M CB 0.249 32.801 32.600 -0.080 0.000 1.376 146 M HN 0.315 nan 8.290 nan 0.000 0.397 147 Q N 2.589 122.353 119.800 -0.060 0.000 2.295 147 Q HA 0.189 4.529 4.340 0.000 0.000 0.259 147 Q C 1.228 177.275 176.000 0.078 0.000 0.976 147 Q CA 0.092 55.916 55.803 0.035 0.000 0.923 147 Q CB 0.917 29.727 28.738 0.121 0.000 1.185 147 Q HN 0.759 nan 8.270 nan 0.000 0.410 148 T N -1.368 113.216 114.554 0.051 0.000 3.043 148 T HA 0.081 4.431 4.350 0.000 0.000 0.263 148 T C 1.280 176.009 174.700 0.048 0.000 1.094 148 T CA 0.679 62.807 62.100 0.047 0.000 1.127 148 T CB 0.061 68.946 68.868 0.029 0.000 0.905 148 T HN 0.851 nan 8.240 nan 0.000 0.490 149 G N 1.372 110.202 108.800 0.050 0.000 2.162 149 G HA2 -0.210 3.750 3.960 0.000 0.000 0.260 149 G HA3 -0.210 3.750 3.960 0.000 0.000 0.260 149 G C -0.000 174.909 174.900 0.016 0.000 0.976 149 G CA 0.203 45.322 45.100 0.030 0.000 0.655 149 G HN 0.674 nan 8.290 nan 0.000 0.533 150 I N 0.548 121.128 120.570 0.017 0.000 2.312 150 I HA 0.296 4.466 4.170 0.000 0.000 0.290 150 I C 1.489 177.613 176.117 0.013 0.000 1.008 150 I CA -0.809 60.496 61.300 0.007 0.000 1.226 150 I CB 1.439 39.442 38.000 0.004 0.000 1.371 150 I HN -0.027 nan 8.210 nan 0.000 0.468 151 K N 4.209 124.616 120.400 0.011 0.000 2.032 151 K HA -0.203 4.117 4.320 0.000 0.000 0.209 151 K C 2.098 178.710 176.600 0.019 0.000 1.048 151 K CA 1.810 58.108 56.287 0.018 0.000 0.927 151 K CB -0.155 32.357 32.500 0.020 0.000 0.712 151 K HN 0.802 nan 8.250 nan 0.000 0.441 152 A N 0.940 123.769 122.820 0.015 0.000 1.908 152 A HA -0.142 4.178 4.320 0.000 0.000 0.218 152 A C 2.391 179.988 177.584 0.022 0.000 1.181 152 A CA 1.628 53.676 52.037 0.019 0.000 0.627 152 A CB -0.662 18.347 19.000 0.015 0.000 0.818 152 A HN 0.085 nan 8.150 nan 0.000 0.445 153 V N 0.427 120.353 119.914 0.020 0.000 2.283 153 V HA -0.190 3.930 4.120 0.000 0.000 0.243 153 V C 2.080 178.186 176.094 0.021 0.000 1.039 153 V CA 2.196 64.509 62.300 0.021 0.000 1.016 153 V CB -0.840 30.995 31.823 0.019 0.000 0.650 153 V HN 0.466 nan 8.190 nan 0.000 0.449 154 D N 0.369 120.781 120.400 0.021 0.000 2.219 154 D HA -0.098 4.542 4.640 0.000 0.000 0.205 154 D C 2.377 178.689 176.300 0.021 0.000 0.970 154 D CA 1.616 55.628 54.000 0.020 0.000 0.851 154 D CB -0.107 40.708 40.800 0.025 0.000 0.943 154 D HN 0.609 nan 8.370 nan 0.000 0.488 155 S N -0.743 114.971 115.700 0.024 0.000 2.427 155 S HA 0.072 4.542 4.470 0.000 0.000 0.224 155 S C 1.890 176.505 174.600 0.025 0.000 1.047 155 S CA 0.207 58.423 58.200 0.026 0.000 0.953 155 S CB -0.108 63.110 63.200 0.029 0.000 0.824 155 S HN 0.196 nan 8.310 nan 0.000 0.502 156 L N 0.717 121.955 121.223 0.026 0.000 2.609 156 L HA 0.397 4.738 4.340 0.000 0.000 0.230 156 L C -0.024 176.864 176.870 0.030 0.000 1.064 156 L CA 0.036 54.893 54.840 0.029 0.000 0.873 156 L CB 0.768 42.847 42.059 0.034 0.000 1.139 156 L HN 0.155 nan 8.230 nan 0.000 0.490 157 V N 0.572 120.503 119.914 0.028 0.000 2.666 157 V HA 0.256 4.376 4.120 0.000 0.000 0.306 157 V C -2.393 173.714 176.094 0.021 0.000 1.156 157 V CA -1.265 61.052 62.300 0.028 0.000 1.274 157 V CB -0.172 31.672 31.823 0.035 0.000 1.536 157 V HN 0.008 nan 8.190 nan 0.000 0.640 158 P HA 0.303 nan 4.420 nan 0.000 0.269 158 P C -0.433 176.869 177.300 0.004 0.000 1.209 158 P CA 0.292 63.397 63.100 0.009 0.000 0.776 158 P CB 1.614 33.317 31.700 0.006 0.000 0.876 159 I N 1.349 121.918 120.570 -0.003 0.000 2.474 159 I HA 0.515 4.685 4.170 0.000 0.000 0.294 159 I C 0.944 177.047 176.117 -0.024 0.000 1.005 159 I CA -0.531 60.764 61.300 -0.008 0.000 1.113 159 I CB 2.145 40.142 38.000 -0.005 0.000 1.289 159 I HN 0.340 nan 8.210 nan 0.000 0.436 160 G N 4.130 112.916 108.800 -0.024 0.000 2.489 160 G HA2 0.559 4.519 3.960 0.000 0.000 0.327 160 G HA3 0.559 4.519 3.960 0.000 0.000 0.327 160 G C -0.655 174.223 174.900 -0.036 0.000 1.189 160 G CA -0.861 44.216 45.100 -0.038 0.000 0.962 160 G HN 0.514 nan 8.290 nan 0.000 0.486 161 R N -0.100 120.368 120.500 -0.054 0.000 2.351 161 R HA 0.408 4.748 4.340 0.000 0.000 0.318 161 R C 1.155 177.463 176.300 0.013 0.000 1.055 161 R CA 1.300 57.380 56.100 -0.034 0.000 0.968 161 R CB 0.600 30.845 30.300 -0.091 0.000 0.974 161 R HN 1.072 nan 8.270 nan 0.000 0.439 162 G N 1.923 110.740 108.800 0.027 0.000 2.201 162 G HA2 -0.274 3.686 3.960 0.000 0.000 0.212 162 G HA3 -0.274 3.686 3.960 0.000 0.000 0.212 162 G C 0.140 175.051 174.900 0.019 0.000 0.994 162 G CA -0.248 44.871 45.100 0.032 0.000 0.644 162 G HN 0.568 nan 8.290 nan 0.000 0.508 163 Q N 0.188 119.994 119.800 0.010 0.000 2.368 163 Q HA 0.648 4.988 4.340 0.000 0.000 0.237 163 Q C -0.094 175.913 176.000 0.012 0.000 0.987 163 Q CA -0.379 55.429 55.803 0.008 0.000 0.896 163 Q CB 0.397 29.136 28.738 0.003 0.000 1.241 163 Q HN 0.309 nan 8.270 nan 0.000 0.485 164 R N 2.182 122.690 120.500 0.013 0.000 2.288 164 R HA 0.306 4.646 4.340 0.000 0.000 0.326 164 R C -1.403 174.904 176.300 0.012 0.000 0.959 164 R CA -0.491 55.618 56.100 0.015 0.000 0.834 164 R CB 1.511 31.819 30.300 0.013 0.000 1.157 164 R HN 0.451 nan 8.270 nan 0.000 0.470 165 E N 2.787 122.994 120.200 0.012 0.000 2.216 165 E HA 0.283 4.633 4.350 0.000 0.000 0.260 165 E C -1.476 175.134 176.600 0.017 0.000 0.880 165 E CA -0.917 55.492 56.400 0.015 0.000 0.765 165 E CB 0.991 30.699 29.700 0.015 0.000 1.174 165 E HN 0.346 nan 8.360 nan 0.000 0.417 166 L N 5.566 126.801 121.223 0.020 0.000 2.367 166 L HA 0.466 4.806 4.340 0.000 0.000 0.275 166 L C -0.951 175.941 176.870 0.038 0.000 1.129 166 L CA 0.126 54.979 54.840 0.021 0.000 0.839 166 L CB 0.519 42.589 42.059 0.018 0.000 1.133 166 L HN 0.650 nan 8.230 nan 0.000 0.453 167 I N 6.856 127.445 120.570 0.032 0.000 2.321 167 I HA 0.426 4.596 4.170 0.000 0.000 0.291 167 I C -0.259 175.888 176.117 0.049 0.000 0.998 167 I CA -0.079 61.244 61.300 0.039 0.000 1.227 167 I CB 1.230 39.244 38.000 0.024 0.000 1.368 167 I HN 0.560 nan 8.210 nan 0.000 0.466 168 I N 5.095 125.717 120.570 0.086 0.000 2.686 168 I HA 0.894 5.064 4.170 0.000 0.000 0.295 168 I C -0.360 175.820 176.117 0.104 0.000 1.114 168 I CA -0.034 61.346 61.300 0.132 0.000 1.038 168 I CB 2.115 40.234 38.000 0.198 0.000 1.238 168 I HN 0.711 nan 8.210 nan 0.000 0.420 169 G N 4.817 113.661 108.800 0.073 0.000 2.321 169 G HA2 0.148 4.108 3.960 0.000 0.000 0.298 169 G HA3 0.148 4.108 3.960 0.000 0.000 0.298 169 G C -2.008 172.885 174.900 -0.012 0.000 1.385 169 G CA -0.829 44.233 45.100 -0.062 0.000 0.856 169 G HN 0.505 nan 8.290 nan 0.000 0.584 170 D N 0.327 120.705 120.400 -0.037 0.000 2.363 170 D HA 0.353 4.993 4.640 0.000 0.000 0.240 170 D C 1.309 177.581 176.300 -0.046 0.000 1.236 170 D CA -0.117 53.877 54.000 -0.010 0.000 0.927 170 D CB 0.455 41.254 40.800 -0.002 0.000 1.150 170 D HN 0.713 nan 8.370 nan 0.000 0.458 171 R N 0.711 121.195 120.500 -0.027 0.000 2.566 171 R HA -0.086 4.254 4.340 0.000 0.000 0.273 171 R C -0.233 176.006 176.300 -0.101 0.000 0.981 171 R CA 0.058 56.132 56.100 -0.043 0.000 1.091 171 R CB 0.018 30.307 30.300 -0.018 0.000 0.924 171 R HN 0.251 nan 8.270 nan 0.000 0.411 172 Q N 0.106 119.830 119.800 -0.126 0.000 2.493 172 Q HA -0.141 4.199 4.340 0.000 0.000 0.278 172 Q C 0.288 176.041 176.000 -0.411 0.000 1.216 172 Q CA 1.751 57.420 55.803 -0.223 0.000 0.875 172 Q CB -1.930 26.686 28.738 -0.203 0.000 1.262 172 Q HN 1.016 nan 8.270 nan 0.000 0.468 173 T N -5.102 109.268 114.554 -0.308 0.000 3.040 173 T HA 0.441 4.791 4.350 0.000 0.000 0.250 173 T C 1.194 175.790 174.700 -0.174 0.000 1.058 173 T CA 0.866 62.766 62.100 -0.333 0.000 0.988 173 T CB 1.039 69.764 68.868 -0.238 0.000 0.993 173 T HN 0.844 nan 8.240 nan 0.000 0.519 174 G N 1.477 110.200 108.800 -0.129 0.000 2.148 174 G HA2 -0.194 3.766 3.960 0.000 0.000 0.157 174 G HA3 -0.194 3.766 3.960 0.000 0.000 0.157 174 G C 0.669 175.556 174.900 -0.021 0.000 1.012 174 G CA 0.120 45.205 45.100 -0.024 0.000 0.677 174 G HN 0.461 nan 8.290 nan 0.000 0.506 175 K N -0.219 120.162 120.400 -0.031 0.000 2.002 175 K HA -0.044 4.276 4.320 0.000 0.000 0.209 175 K C 2.591 179.207 176.600 0.026 0.000 1.048 175 K CA 1.926 58.208 56.287 -0.007 0.000 0.930 175 K CB -0.294 32.201 32.500 -0.008 0.000 0.714 175 K HN 0.284 nan 8.250 nan 0.000 0.438 176 T N 0.873 115.453 114.554 0.044 0.000 2.746 176 T HA -0.107 4.243 4.350 0.000 0.000 0.267 176 T C 2.037 176.779 174.700 0.069 0.000 1.039 176 T CA 1.490 63.648 62.100 0.097 0.000 1.142 176 T CB -0.197 68.740 68.868 0.115 0.000 0.866 176 T HN 0.141 nan 8.240 nan 0.000 0.444 177 S N 1.125 116.839 115.700 0.023 0.000 2.400 177 S HA -0.068 4.402 4.470 0.000 0.000 0.232 177 S C 1.985 176.574 174.600 -0.018 0.000 1.025 177 S CA 0.692 58.879 58.200 -0.021 0.000 0.993 177 S CB -0.354 62.800 63.200 -0.076 0.000 0.808 177 S HN 0.334 nan 8.310 nan 0.000 0.478 178 I N 1.970 122.541 120.570 0.002 0.000 2.142 178 I HA -0.168 4.002 4.170 0.000 0.000 0.240 178 I C 2.780 178.917 176.117 0.033 0.000 1.078 178 I CA 1.408 62.714 61.300 0.009 0.000 1.343 178 I CB -1.848 36.159 38.000 0.012 0.000 1.046 178 I HN 0.249 nan 8.210 nan 0.000 0.405 179 A N 1.256 124.112 122.820 0.060 0.000 1.883 179 A HA -0.183 4.137 4.320 0.000 0.000 0.217 179 A C 2.242 179.886 177.584 0.099 0.000 1.186 179 A CA 1.481 53.574 52.037 0.093 0.000 0.624 179 A CB -0.633 18.459 19.000 0.153 0.000 0.822 179 A HN 0.308 nan 8.150 nan 0.000 0.444 180 I N 0.339 120.958 120.570 0.082 0.000 2.252 180 I HA -0.185 3.985 4.170 0.000 0.000 0.245 180 I C 1.772 177.933 176.117 0.073 0.000 1.102 180 I CA 1.701 63.035 61.300 0.057 0.000 1.385 180 I CB -1.708 36.318 38.000 0.043 0.000 1.064 180 I HN 0.263 nan 8.210 nan 0.000 0.414 181 D N 0.625 121.059 120.400 0.056 0.000 2.178 181 D HA -0.133 4.507 4.640 0.000 0.000 0.201 181 D C 2.180 178.513 176.300 0.056 0.000 0.980 181 D CA 1.401 55.431 54.000 0.051 0.000 0.842 181 D CB -0.155 40.644 40.800 -0.001 0.000 0.948 181 D HN 0.258 nan 8.370 nan 0.000 0.472 182 T N 0.571 115.159 114.554 0.056 0.000 2.674 182 T HA -0.100 4.250 4.350 0.000 0.000 0.265 182 T C 2.147 176.899 174.700 0.086 0.000 1.039 182 T CA 0.665 62.802 62.100 0.062 0.000 1.150 182 T CB -0.269 68.630 68.868 0.052 0.000 0.864 182 T HN 0.166 nan 8.240 nan 0.000 0.427 183 I N 0.748 121.381 120.570 0.106 0.000 2.118 183 I HA -0.185 3.985 4.170 0.000 0.000 0.241 183 I C 2.358 178.609 176.117 0.224 0.000 1.070 183 I CA 1.534 62.933 61.300 0.165 0.000 1.327 183 I CB -0.518 37.563 38.000 0.135 0.000 1.034 183 I HN 0.215 nan 8.210 nan 0.000 0.405 184 I N 0.854 121.511 120.570 0.146 0.000 2.264 184 I HA -0.330 3.840 4.170 0.000 0.000 0.248 184 I C 2.251 178.431 176.117 0.105 0.000 1.111 184 I CA 1.543 62.924 61.300 0.134 0.000 1.382 184 I CB -0.563 37.489 38.000 0.088 0.000 1.060 184 I HN 0.331 nan 8.210 nan 0.000 0.418 185 N N 0.586 119.324 118.700 0.063 0.000 2.272 185 N HA -0.203 4.537 4.740 0.000 0.000 0.185 185 N C 1.736 177.198 175.510 -0.081 0.000 1.014 185 N CA 1.108 54.155 53.050 -0.005 0.000 0.870 185 N CB 0.065 38.575 38.487 0.038 0.000 0.975 185 N HN 0.262 nan 8.380 nan 0.000 0.433 186 Q N 0.106 119.890 119.800 -0.026 0.000 2.435 186 Q HA -0.042 4.298 4.340 0.000 0.000 0.207 186 Q C 1.630 177.407 176.000 -0.372 0.000 0.956 186 Q CA 0.459 56.193 55.803 -0.115 0.000 0.917 186 Q CB -0.128 28.454 28.738 -0.259 0.000 0.997 186 Q HN 0.492 nan 8.270 nan 0.000 0.497 187 K N 1.426 121.693 120.400 -0.223 0.000 2.044 187 K HA -0.190 4.130 4.320 0.000 0.000 0.210 187 K C 2.103 178.571 176.600 -0.221 0.000 1.049 187 K CA 1.306 57.538 56.287 -0.092 0.000 0.927 187 K CB -0.002 32.557 32.500 0.098 0.000 0.713 187 K HN 0.017 nan 8.250 nan 0.000 0.443 188 R N -0.485 119.787 120.500 -0.381 0.000 2.119 188 R HA -0.195 4.145 4.340 0.000 0.000 0.246 188 R C 2.030 178.037 176.300 -0.488 0.000 1.146 188 R CA 2.271 58.064 56.100 -0.511 0.000 0.962 188 R CB -0.276 29.539 30.300 -0.808 0.000 0.863 188 R HN 0.256 nan 8.270 nan 0.000 0.442 189 F N -0.260 119.597 119.950 -0.155 0.000 2.219 189 F HA 0.026 4.553 4.527 0.000 0.000 0.294 189 F C 2.128 177.812 175.800 -0.193 0.000 1.086 189 F CA 0.175 58.074 58.000 -0.169 0.000 1.330 189 F CB -0.300 38.582 39.000 -0.197 0.000 1.047 189 F HN -0.010 nan 8.300 nan 0.000 0.495 190 N N 0.276 118.896 118.700 -0.133 0.000 2.381 190 N HA -0.133 4.607 4.740 0.000 0.000 0.182 190 N C 1.079 176.541 175.510 -0.080 0.000 1.025 190 N CA 1.075 54.003 53.050 -0.204 0.000 0.888 190 N CB -0.447 37.761 38.487 -0.464 0.000 0.965 190 N HN 0.247 nan 8.380 nan 0.000 0.438 191 D N 0.062 120.425 120.400 -0.061 0.000 2.234 191 D HA 0.027 4.667 4.640 0.000 0.000 0.205 191 D C 1.344 177.633 176.300 -0.018 0.000 0.962 191 D CA 0.440 54.425 54.000 -0.025 0.000 0.855 191 D CB -0.182 40.597 40.800 -0.036 0.000 0.951 191 D HN 0.166 nan 8.370 nan 0.000 0.500 192 G N -0.296 108.492 108.800 -0.020 0.000 2.489 192 G HA2 0.230 4.190 3.960 0.000 0.000 0.271 192 G HA3 0.230 4.190 3.960 0.000 0.000 0.271 192 G C 0.971 175.877 174.900 0.010 0.000 1.427 192 G CA 0.618 45.716 45.100 -0.003 0.000 1.057 192 G HN 0.193 nan 8.290 nan 0.000 0.532 193 T N -3.099 111.465 114.554 0.016 0.000 3.010 193 T HA 0.141 4.491 4.350 0.000 0.000 0.257 193 T C 0.296 175.010 174.700 0.023 0.000 1.020 193 T CA 0.125 62.236 62.100 0.019 0.000 0.938 193 T CB 0.431 69.307 68.868 0.014 0.000 1.049 193 T HN 0.298 nan 8.240 nan 0.000 0.522 194 D N 2.338 122.752 120.400 0.024 0.000 2.393 194 D HA 0.148 4.788 4.640 0.000 0.000 0.232 194 D C 1.000 177.313 176.300 0.022 0.000 1.192 194 D CA -0.189 53.824 54.000 0.021 0.000 0.882 194 D CB 0.865 41.674 40.800 0.016 0.000 1.038 194 D HN 0.131 nan 8.370 nan 0.000 0.499 195 E N 2.603 122.824 120.200 0.034 0.000 2.268 195 E HA -0.140 4.210 4.350 0.000 0.000 0.195 195 E C 1.186 177.829 176.600 0.072 0.000 0.995 195 E CA 0.669 57.103 56.400 0.057 0.000 0.836 195 E CB 0.322 30.065 29.700 0.071 0.000 0.763 195 E HN 0.344 nan 8.360 nan 0.000 0.491 196 K N 0.777 121.203 120.400 0.044 0.000 2.217 196 K HA -0.016 4.304 4.320 0.000 0.000 0.202 196 K C 1.768 178.318 176.600 -0.082 0.000 1.051 196 K CA 0.746 57.059 56.287 0.044 0.000 0.952 196 K CB 0.166 32.672 32.500 0.011 0.000 0.736 196 K HN -0.052 nan 8.250 nan 0.000 0.453 197 K N 0.429 120.756 120.400 -0.123 0.000 2.393 197 K HA 0.071 4.391 4.320 0.000 0.000 0.193 197 K C -0.211 176.230 176.600 -0.265 0.000 1.026 197 K CA 0.149 56.264 56.287 -0.286 0.000 1.064 197 K CB 0.378 32.710 32.500 -0.280 0.000 0.833 197 K HN 0.054 nan 8.250 nan 0.000 0.521 198 K N 1.335 121.663 120.400 -0.120 0.000 2.355 198 K HA 0.126 4.447 4.320 0.000 0.000 0.270 198 K C -0.542 175.926 176.600 -0.219 0.000 1.003 198 K CA -0.071 56.109 56.287 -0.177 0.000 0.957 198 K CB 0.592 32.993 32.500 -0.164 0.000 0.939 198 K HN -0.139 nan 8.250 nan 0.000 0.482 199 L N 3.421 124.405 121.223 -0.397 0.000 2.541 199 L HA 0.271 4.611 4.340 0.000 0.000 0.266 199 L C -1.614 174.968 176.870 -0.481 0.000 0.966 199 L CA -0.386 54.275 54.840 -0.300 0.000 0.871 199 L CB 0.900 42.840 42.059 -0.199 0.000 1.232 199 L HN 0.450 nan 8.230 nan 0.000 0.408 200 Y N 2.922 123.094 120.300 -0.214 0.000 2.304 200 Y HA 0.515 5.065 4.550 0.000 0.000 0.327 200 Y C 0.454 176.271 175.900 -0.138 0.000 1.209 200 Y CA -0.132 57.817 58.100 -0.253 0.000 1.299 200 Y CB 1.009 39.037 38.460 -0.720 0.000 1.249 200 Y HN 0.485 nan 8.280 nan 0.000 0.519 201 C N 4.079 123.465 119.300 0.143 0.000 2.507 201 C HA 0.703 5.163 4.460 0.000 0.000 0.319 201 C C -0.290 174.769 174.990 0.115 0.000 1.208 201 C CA -1.140 57.955 59.018 0.128 0.000 1.619 201 C CB 0.311 28.172 27.740 0.201 0.000 2.230 201 C HN 0.644 nan 8.230 nan 0.000 0.492 202 I N 2.343 122.960 120.570 0.078 0.000 2.466 202 I HA 0.304 4.474 4.170 0.000 0.000 0.289 202 I C -1.082 175.065 176.117 0.050 0.000 1.026 202 I CA -0.495 60.848 61.300 0.071 0.000 1.078 202 I CB 1.210 39.241 38.000 0.052 0.000 1.249 202 I HN 0.627 nan 8.210 nan 0.000 0.429 203 Y N 6.907 127.189 120.300 -0.030 0.000 2.356 203 Y HA 0.601 5.151 4.550 0.000 0.000 0.334 203 Y C -0.877 175.007 175.900 -0.027 0.000 0.958 203 Y CA -0.736 57.339 58.100 -0.041 0.000 1.196 203 Y CB 1.251 39.701 38.460 -0.018 0.000 1.137 203 Y HN 0.275 nan 8.280 nan 0.000 0.485 204 V N 6.644 126.303 119.914 -0.424 0.000 2.333 204 V HA 0.607 4.728 4.120 0.000 0.000 0.274 204 V C 0.117 175.986 176.094 -0.375 0.000 1.028 204 V CA -0.637 61.518 62.300 -0.242 0.000 0.851 204 V CB 0.639 32.410 31.823 -0.087 0.000 1.000 204 V HN 0.917 nan 8.190 nan 0.000 0.456 205 A N 6.783 129.530 122.820 -0.121 0.000 2.289 205 A HA 0.854 5.174 4.320 0.000 0.000 0.298 205 A C -0.601 176.994 177.584 0.019 0.000 1.208 205 A CA -0.281 51.751 52.037 -0.009 0.000 0.845 205 A CB 0.131 19.260 19.000 0.216 0.000 1.125 205 A HN 0.765 nan 8.150 nan 0.000 0.517 206 I N 1.821 122.401 120.570 0.016 0.000 2.439 206 I HA 0.553 4.723 4.170 0.000 0.000 0.285 206 I C 1.036 177.187 176.117 0.058 0.000 1.021 206 I CA 0.381 61.705 61.300 0.041 0.000 1.091 206 I CB 1.911 39.930 38.000 0.031 0.000 1.242 206 I HN 1.004 nan 8.210 nan 0.000 0.439 207 G N 3.611 112.453 108.800 0.070 0.000 2.162 207 G HA2 -0.245 3.715 3.960 0.000 0.000 0.260 207 G HA3 -0.245 3.715 3.960 0.000 0.000 0.260 207 G C 0.236 175.175 174.900 0.066 0.000 0.976 207 G CA -0.129 45.014 45.100 0.071 0.000 0.655 207 G HN 0.599 nan 8.290 nan 0.000 0.533 208 Q N 0.130 119.972 119.800 0.070 0.000 2.317 208 Q HA 0.478 4.818 4.340 0.000 0.000 0.229 208 Q C 0.710 176.747 176.000 0.062 0.000 0.984 208 Q CA -0.150 55.695 55.803 0.070 0.000 0.911 208 Q CB 0.677 29.469 28.738 0.090 0.000 1.217 208 Q HN 0.633 nan 8.270 nan 0.000 0.501 209 K N 0.321 120.753 120.400 0.054 0.000 2.202 209 K HA 0.205 4.525 4.320 0.000 0.000 0.264 209 K C 0.393 177.020 176.600 0.045 0.000 1.010 209 K CA -0.470 55.845 56.287 0.045 0.000 0.940 209 K CB 1.039 33.561 32.500 0.037 0.000 0.983 209 K HN 0.412 nan 8.250 nan 0.000 0.475 210 R N 0.660 121.184 120.500 0.039 0.000 2.105 210 R HA -0.170 4.170 4.340 0.000 0.000 0.239 210 R C 2.249 178.565 176.300 0.027 0.000 1.135 210 R CA 2.091 58.212 56.100 0.035 0.000 0.967 210 R CB -0.379 29.939 30.300 0.030 0.000 0.861 210 R HN 0.940 nan 8.270 nan 0.000 0.442 211 S N -0.447 115.268 115.700 0.024 0.000 2.402 211 S HA -0.097 4.373 4.470 0.000 0.000 0.229 211 S C 1.896 176.505 174.600 0.016 0.000 1.021 211 S CA 1.499 59.709 58.200 0.017 0.000 0.974 211 S CB -0.304 62.906 63.200 0.015 0.000 0.800 211 S HN 0.174 nan 8.310 nan 0.000 0.484 212 T N 2.526 117.096 114.554 0.026 0.000 2.708 212 T HA -0.024 4.326 4.350 0.000 0.000 0.266 212 T C 1.911 176.624 174.700 0.022 0.000 1.037 212 T CA 1.539 63.656 62.100 0.029 0.000 1.146 212 T CB -0.592 68.303 68.868 0.045 0.000 0.865 212 T HN 0.310 nan 8.240 nan 0.000 0.435 213 V N 1.790 121.725 119.914 0.035 0.000 2.407 213 V HA -0.151 3.969 4.120 0.000 0.000 0.248 213 V C 2.880 178.970 176.094 -0.007 0.000 1.055 213 V CA 1.583 63.901 62.300 0.030 0.000 1.049 213 V CB -1.254 30.606 31.823 0.062 0.000 0.662 213 V HN 0.520 nan 8.190 nan 0.000 0.455 214 A N -0.738 122.081 122.820 -0.003 0.000 1.902 214 A HA -0.237 4.083 4.320 0.000 0.000 0.217 214 A C 2.221 179.786 177.584 -0.032 0.000 1.181 214 A CA 1.577 53.604 52.037 -0.016 0.000 0.623 214 A CB -0.419 18.576 19.000 -0.007 0.000 0.818 214 A HN 0.533 nan 8.150 nan 0.000 0.443 215 Q N -0.717 119.067 119.800 -0.028 0.000 2.084 215 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 215 Q C 2.137 178.099 176.000 -0.064 0.000 0.978 215 Q CA 0.949 56.729 55.803 -0.038 0.000 0.844 215 Q CB -0.547 28.180 28.738 -0.018 0.000 0.898 215 Q HN 0.602 nan 8.270 nan 0.000 0.426 216 L N 0.645 121.822 121.223 -0.076 0.000 1.989 216 L HA -0.148 4.192 4.340 0.000 0.000 0.211 216 L C 2.295 179.072 176.870 -0.155 0.000 1.071 216 L CA 1.501 56.257 54.840 -0.140 0.000 0.749 216 L CB -0.910 41.020 42.059 -0.214 0.000 0.890 216 L HN 0.023 nan 8.230 nan 0.000 0.431 217 V N 0.484 120.325 119.914 -0.121 0.000 2.343 217 V HA -0.310 3.810 4.120 0.000 0.000 0.247 217 V C 2.692 178.728 176.094 -0.097 0.000 1.051 217 V CA 2.036 64.274 62.300 -0.104 0.000 1.036 217 V CB -0.706 31.078 31.823 -0.066 0.000 0.654 217 V HN 0.506 nan 8.190 nan 0.000 0.451 218 K N 0.258 120.607 120.400 -0.086 0.000 2.044 218 K HA -0.291 4.029 4.320 0.000 0.000 0.210 218 K C 2.328 178.860 176.600 -0.113 0.000 1.049 218 K CA 2.054 58.288 56.287 -0.087 0.000 0.927 218 K CB -0.186 32.269 32.500 -0.075 0.000 0.713 218 K HN 0.216 nan 8.250 nan 0.000 0.443 219 R N 0.817 121.237 120.500 -0.133 0.000 2.080 219 R HA -0.065 4.275 4.340 0.000 0.000 0.236 219 R C 2.231 178.442 176.300 -0.148 0.000 1.137 219 R CA 1.722 57.719 56.100 -0.172 0.000 0.943 219 R CB -0.553 29.646 30.300 -0.169 0.000 0.846 219 R HN 0.297 nan 8.270 nan 0.000 0.431 220 L N -0.731 120.410 121.223 -0.137 0.000 2.093 220 L HA -0.149 4.192 4.340 0.000 0.000 0.208 220 L C 2.139 178.923 176.870 -0.145 0.000 1.085 220 L CA 1.688 56.443 54.840 -0.142 0.000 0.755 220 L CB -0.564 41.400 42.059 -0.158 0.000 0.904 220 L HN 0.310 nan 8.230 nan 0.000 0.435 221 T N -1.067 113.412 114.554 -0.125 0.000 2.737 221 T HA -0.153 4.197 4.350 0.000 0.000 0.265 221 T C 1.422 176.061 174.700 -0.101 0.000 1.038 221 T CA 1.377 63.411 62.100 -0.109 0.000 1.144 221 T CB -0.220 68.596 68.868 -0.086 0.000 0.866 221 T HN 0.277 nan 8.240 nan 0.000 0.434 222 D N 1.689 122.027 120.400 -0.104 0.000 2.149 222 D HA -0.027 4.613 4.640 0.000 0.000 0.198 222 D C 2.069 178.313 176.300 -0.094 0.000 0.990 222 D CA 1.140 55.081 54.000 -0.099 0.000 0.839 222 D CB -0.405 40.324 40.800 -0.119 0.000 0.948 222 D HN 0.423 nan 8.370 nan 0.000 0.460 223 A N 0.288 123.047 122.820 -0.102 0.000 2.235 223 A HA -0.060 4.260 4.320 0.000 0.000 0.208 223 A C 0.602 178.142 177.584 -0.074 0.000 1.172 223 A CA 0.678 52.669 52.037 -0.078 0.000 0.786 223 A CB -0.143 18.819 19.000 -0.065 0.000 0.804 223 A HN 0.085 nan 8.150 nan 0.000 0.479 224 D N -2.506 117.837 120.400 -0.095 0.000 2.701 224 D HA -0.222 4.418 4.640 0.000 0.000 0.235 224 D C 0.775 176.961 176.300 -0.190 0.000 1.155 224 D CA 0.973 54.908 54.000 -0.108 0.000 0.649 224 D CB -1.238 39.527 40.800 -0.058 0.000 1.050 224 D HN 0.536 nan 8.370 nan 0.000 0.425 225 A N -0.508 122.140 122.820 -0.287 0.000 2.220 225 A HA 0.105 4.425 4.320 0.000 0.000 0.211 225 A C 2.096 179.210 177.584 -0.782 0.000 1.176 225 A CA 0.307 51.953 52.037 -0.651 0.000 0.834 225 A CB 0.018 18.820 19.000 -0.330 0.000 0.868 225 A HN 0.289 nan 8.150 nan 0.000 0.488 226 M N 1.067 120.429 119.600 -0.396 0.000 2.279 226 M HA -0.151 4.329 4.480 0.000 0.000 0.264 226 M C 2.007 178.162 176.300 -0.241 0.000 1.062 226 M CA 1.755 56.895 55.300 -0.267 0.000 1.099 226 M CB -0.883 31.626 32.600 -0.152 0.000 1.394 226 M HN 0.711 nan 8.290 nan 0.000 0.426 227 K N 0.124 120.364 120.400 -0.266 0.000 2.283 227 K HA -0.163 4.157 4.320 0.000 0.000 0.202 227 K C 0.932 177.538 176.600 0.009 0.000 1.048 227 K CA 1.401 57.628 56.287 -0.100 0.000 0.948 227 K CB -0.498 31.980 32.500 -0.037 0.000 0.742 227 K HN 0.480 nan 8.250 nan 0.000 0.458 228 Y N -0.413 119.909 120.300 0.036 0.000 2.612 228 Y HA 0.453 5.003 4.550 0.000 0.000 0.250 228 Y C -0.491 175.448 175.900 0.064 0.000 1.175 228 Y CA -1.090 57.046 58.100 0.060 0.000 1.205 228 Y CB -0.011 38.401 38.460 -0.080 0.000 1.201 228 Y HN -0.211 nan 8.280 nan 0.000 0.532 229 T N 2.474 117.041 114.554 0.022 0.000 2.863 229 T HA 0.626 4.976 4.350 0.000 0.000 0.285 229 T C -0.579 174.158 174.700 0.062 0.000 1.009 229 T CA -0.430 61.699 62.100 0.050 0.000 0.989 229 T CB 2.072 70.906 68.868 -0.057 0.000 1.004 229 T HN 0.114 nan 8.240 nan 0.000 0.455 230 I N 2.172 122.801 120.570 0.098 0.000 2.378 230 I HA 0.453 4.623 4.170 0.000 0.000 0.291 230 I C -0.560 175.615 176.117 0.097 0.000 0.992 230 I CA -1.062 60.294 61.300 0.093 0.000 1.154 230 I CB 1.789 39.861 38.000 0.120 0.000 1.315 230 I HN 0.247 nan 8.210 nan 0.000 0.448 231 V N 7.269 127.233 119.914 0.083 0.000 2.347 231 V HA 0.322 4.442 4.120 0.000 0.000 0.280 231 V C -0.056 176.095 176.094 0.094 0.000 1.021 231 V CA -0.619 61.753 62.300 0.119 0.000 0.847 231 V CB 1.704 33.584 31.823 0.096 0.000 0.990 231 V HN 0.396 nan 8.190 nan 0.000 0.444 232 V N 4.313 124.284 119.914 0.095 0.000 2.370 232 V HA 0.548 4.668 4.120 0.000 0.000 0.283 232 V C 0.138 176.274 176.094 0.069 0.000 1.023 232 V CA -0.133 62.205 62.300 0.062 0.000 0.857 232 V CB 1.672 33.520 31.823 0.040 0.000 0.985 232 V HN 0.834 nan 8.190 nan 0.000 0.443 233 S N 3.969 119.709 115.700 0.066 0.000 2.561 233 S HA 0.813 5.283 4.470 0.000 0.000 0.303 233 S C -0.423 174.215 174.600 0.062 0.000 1.110 233 S CA -0.160 58.085 58.200 0.075 0.000 1.034 233 S CB 1.366 64.618 63.200 0.086 0.000 1.010 233 S HN 1.097 nan 8.310 nan 0.000 0.482 234 A N 4.153 127.012 122.820 0.065 0.000 2.483 234 A HA 0.642 4.962 4.320 0.000 0.000 0.308 234 A C 0.352 177.981 177.584 0.075 0.000 1.291 234 A CA -0.633 51.447 52.037 0.072 0.000 0.774 234 A CB 0.273 19.322 19.000 0.082 0.000 1.134 234 A HN 0.876 nan 8.150 nan 0.000 0.471 235 T N -0.900 113.697 114.554 0.070 0.000 2.814 235 T HA 0.580 4.930 4.350 0.000 0.000 0.284 235 T C 1.522 176.261 174.700 0.066 0.000 0.998 235 T CA 0.071 62.211 62.100 0.067 0.000 0.935 235 T CB 1.051 69.955 68.868 0.059 0.000 1.167 235 T HN 1.054 nan 8.240 nan 0.000 0.545 236 A N 0.626 123.482 122.820 0.059 0.000 2.019 236 A HA -0.000 4.320 4.320 0.000 0.000 0.219 236 A C 2.362 179.977 177.584 0.052 0.000 1.164 236 A CA 1.673 53.744 52.037 0.056 0.000 0.644 236 A CB -1.240 17.790 19.000 0.049 0.000 0.805 236 A HN 1.054 nan 8.150 nan 0.000 0.449 237 S N -0.586 115.143 115.700 0.048 0.000 2.575 237 S HA 0.114 4.584 4.470 0.000 0.000 0.215 237 S C -0.290 174.340 174.600 0.050 0.000 0.966 237 S CA -0.346 57.880 58.200 0.043 0.000 0.911 237 S CB -0.204 63.017 63.200 0.035 0.000 0.780 237 S HN 0.349 nan 8.310 nan 0.000 0.514 238 D N 2.881 123.319 120.400 0.063 0.000 2.304 238 D HA 0.570 5.210 4.640 0.000 0.000 0.250 238 D C 0.329 176.681 176.300 0.087 0.000 1.107 238 D CA 0.021 54.068 54.000 0.077 0.000 0.885 238 D CB 1.398 42.251 40.800 0.089 0.000 1.192 238 D HN 0.413 nan 8.370 nan 0.000 0.436 239 A N 1.763 124.639 122.820 0.093 0.000 2.555 239 A HA 0.316 4.636 4.320 0.000 0.000 0.233 239 A C 1.513 179.169 177.584 0.121 0.000 1.060 239 A CA 0.456 52.546 52.037 0.088 0.000 0.759 239 A CB 0.165 19.215 19.000 0.083 0.000 0.995 239 A HN 0.654 nan 8.150 nan 0.000 0.506 240 A N 3.170 126.048 122.820 0.096 0.000 1.927 240 A HA -0.111 4.209 4.320 0.000 0.000 0.220 240 A C -0.133 177.574 177.584 0.204 0.000 1.185 240 A CA 2.230 54.343 52.037 0.126 0.000 0.639 240 A CB -1.755 17.290 19.000 0.075 0.000 0.820 240 A HN 0.656 nan 8.150 nan 0.000 0.451 241 P HA -0.101 nan 4.420 nan 0.000 0.220 241 P C 1.349 178.994 177.300 0.574 0.000 1.148 241 P CA 0.755 64.042 63.100 0.313 0.000 0.803 241 P CB -0.132 31.568 31.700 -0.001 0.000 0.782 242 L N -0.961 120.526 121.223 0.441 0.000 2.093 242 L HA -0.172 4.168 4.340 0.000 0.000 0.208 242 L C 2.559 179.574 176.870 0.242 0.000 1.085 242 L CA 1.485 56.528 54.840 0.338 0.000 0.755 242 L CB -0.833 41.367 42.059 0.236 0.000 0.904 242 L HN 0.024 nan 8.230 nan 0.000 0.435 243 Q N -1.105 118.835 119.800 0.234 0.000 2.123 243 Q HA -0.223 4.117 4.340 0.000 0.000 0.199 243 Q C 2.092 178.222 176.000 0.218 0.000 0.966 243 Q CA 1.559 57.473 55.803 0.185 0.000 0.845 243 Q CB -0.286 28.550 28.738 0.164 0.000 0.907 243 Q HN 0.517 nan 8.270 nan 0.000 0.439 244 Y N 1.137 121.545 120.300 0.180 0.000 2.165 244 Y HA -0.219 4.331 4.550 0.000 0.000 0.286 244 Y C 1.876 177.920 175.900 0.238 0.000 1.155 244 Y CA 1.168 59.391 58.100 0.205 0.000 1.164 244 Y CB -0.210 38.412 38.460 0.269 0.000 0.978 244 Y HN 0.040 nan 8.280 nan 0.000 0.513 245 L N 0.104 121.398 121.223 0.118 0.000 2.156 245 L HA -0.094 4.246 4.340 0.000 0.000 0.208 245 L C 2.588 179.463 176.870 0.007 0.000 1.095 245 L CA 1.489 56.337 54.840 0.013 0.000 0.770 245 L CB -1.143 41.013 42.059 0.160 0.000 0.914 245 L HN 0.504 nan 8.230 nan 0.000 0.439 246 A N 0.972 123.802 122.820 0.016 0.000 1.892 246 A HA -0.172 4.148 4.320 0.000 0.000 0.218 246 A C -0.231 177.341 177.584 -0.020 0.000 1.188 246 A CA 1.751 53.792 52.037 0.006 0.000 0.631 246 A CB -1.806 17.211 19.000 0.029 0.000 0.822 246 A HN 0.353 nan 8.150 nan 0.000 0.447 247 P HA -0.141 nan 4.420 nan 0.000 0.217 247 P C 0.867 178.053 177.300 -0.190 0.000 1.150 247 P CA 1.195 64.199 63.100 -0.161 0.000 0.832 247 P CB -0.201 31.145 31.700 -0.591 0.000 0.787 248 Y N -0.616 119.602 120.300 -0.137 0.000 2.263 248 Y HA -0.111 4.439 4.550 0.000 0.000 0.292 248 Y C 2.622 178.487 175.900 -0.057 0.000 1.130 248 Y CA 1.167 59.190 58.100 -0.129 0.000 1.179 248 Y CB -1.029 37.299 38.460 -0.221 0.000 0.998 248 Y HN -0.087 nan 8.280 nan 0.000 0.532 249 S N -0.076 115.673 115.700 0.082 0.000 2.348 249 S HA -0.184 4.286 4.470 0.000 0.000 0.221 249 S C 2.413 177.043 174.600 0.050 0.000 1.033 249 S CA 1.298 59.521 58.200 0.039 0.000 1.010 249 S CB -1.047 62.155 63.200 0.004 0.000 0.891 249 S HN 0.660 nan 8.310 nan 0.000 0.442 250 G N 0.197 109.034 108.800 0.061 0.000 2.418 250 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 250 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 250 G C 1.741 176.698 174.900 0.094 0.000 1.158 250 G CA 1.076 46.218 45.100 0.069 0.000 0.771 250 G HN 0.583 nan 8.290 nan 0.000 0.545 251 C N 0.592 119.974 119.300 0.137 0.000 2.401 251 C HA -0.062 4.398 4.460 0.000 0.000 0.276 251 C C 3.283 178.339 174.990 0.109 0.000 1.233 251 C CA 1.835 60.941 59.018 0.146 0.000 1.753 251 C CB -0.979 26.850 27.740 0.149 0.000 2.029 251 C HN 0.356 nan 8.230 nan 0.000 0.478 252 S N 0.195 115.948 115.700 0.088 0.000 2.402 252 S HA -0.112 4.358 4.470 0.000 0.000 0.229 252 S C 1.705 176.341 174.600 0.061 0.000 1.021 252 S CA 1.807 60.045 58.200 0.064 0.000 0.974 252 S CB -0.329 62.895 63.200 0.040 0.000 0.800 252 S HN 0.658 nan 8.310 nan 0.000 0.484 253 M N 0.868 120.508 119.600 0.066 0.000 2.117 253 M HA -0.066 4.414 4.480 0.000 0.000 0.262 253 M C 2.471 178.883 176.300 0.187 0.000 1.065 253 M CA 1.600 56.943 55.300 0.072 0.000 1.114 253 M CB -0.825 31.831 32.600 0.093 0.000 1.361 253 M HN 0.440 nan 8.290 nan 0.000 0.408 254 G N -0.072 108.867 108.800 0.231 0.000 2.422 254 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 254 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 254 G C 1.329 176.387 174.900 0.262 0.000 1.140 254 G CA 0.585 45.883 45.100 0.329 0.000 0.775 254 G HN 0.502 nan 8.290 nan 0.000 0.545 255 E N -0.653 119.633 120.200 0.145 0.000 2.204 255 E HA -0.124 4.226 4.350 0.000 0.000 0.194 255 E C 1.928 178.547 176.600 0.031 0.000 0.989 255 E CA 0.580 57.029 56.400 0.081 0.000 0.824 255 E CB -0.227 29.507 29.700 0.057 0.000 0.756 255 E HN 0.641 nan 8.360 nan 0.000 0.477 256 Y N 0.494 120.714 120.300 -0.134 0.000 2.165 256 Y HA -0.279 4.271 4.550 0.000 0.000 0.286 256 Y C 1.645 177.354 175.900 -0.318 0.000 1.155 256 Y CA 1.652 59.580 58.100 -0.288 0.000 1.164 256 Y CB -0.281 37.891 38.460 -0.480 0.000 0.978 256 Y HN -0.058 nan 8.280 nan 0.000 0.513 257 F N 0.017 119.959 119.950 -0.013 0.000 2.163 257 F HA -0.064 4.463 4.527 0.000 0.000 0.297 257 F C 2.765 178.466 175.800 -0.164 0.000 1.094 257 F CA 1.480 59.401 58.000 -0.133 0.000 1.290 257 F CB -0.589 38.416 39.000 0.008 0.000 1.017 257 F HN -0.121 nan 8.300 nan 0.000 0.483 258 R N 0.715 121.264 120.500 0.082 0.000 2.091 258 R HA -0.188 4.152 4.340 0.000 0.000 0.238 258 R C 1.262 177.528 176.300 -0.057 0.000 1.136 258 R CA 2.119 58.223 56.100 0.007 0.000 0.959 258 R CB -0.390 29.932 30.300 0.038 0.000 0.856 258 R HN 0.208 nan 8.270 nan 0.000 0.437 259 D N -0.327 120.013 120.400 -0.100 0.000 2.333 259 D HA -0.018 4.622 4.640 0.000 0.000 0.208 259 D C 0.365 176.574 176.300 -0.152 0.000 0.984 259 D CA 0.562 54.503 54.000 -0.098 0.000 0.873 259 D CB 0.011 40.758 40.800 -0.088 0.000 0.935 259 D HN 0.230 nan 8.370 nan 0.000 0.521 260 N N 0.175 118.722 118.700 -0.256 0.000 2.376 260 N HA 0.144 4.884 4.740 0.000 0.000 0.249 260 N C 0.959 176.367 175.510 -0.170 0.000 1.140 260 N CA 0.150 53.037 53.050 -0.273 0.000 0.870 260 N CB 1.321 39.493 38.487 -0.525 0.000 1.124 260 N HN 0.103 nan 8.380 nan 0.000 0.505 261 G N 0.933 109.653 108.800 -0.133 0.000 2.168 261 G HA2 -0.318 3.642 3.960 0.000 0.000 0.263 261 G HA3 -0.318 3.642 3.960 0.000 0.000 0.263 261 G C 0.331 175.115 174.900 -0.194 0.000 0.977 261 G CA 0.610 45.634 45.100 -0.127 0.000 0.659 261 G HN 0.343 nan 8.290 nan 0.000 0.533 262 K N -0.476 119.824 120.400 -0.166 0.000 2.416 262 K HA 0.657 4.977 4.320 0.000 0.000 0.244 262 K C -0.330 176.088 176.600 -0.304 0.000 1.044 262 K CA -0.877 55.334 56.287 -0.126 0.000 0.972 262 K CB 0.748 33.334 32.500 0.142 0.000 1.286 262 K HN 0.297 nan 8.250 nan 0.000 0.500 263 H N -0.539 118.633 119.070 0.170 0.000 2.609 263 H HA 0.491 5.048 4.556 0.000 0.000 0.344 263 H C -1.100 174.286 175.328 0.097 0.000 1.040 263 H CA -0.664 55.441 56.048 0.095 0.000 1.216 263 H CB 1.921 31.691 29.762 0.013 0.000 1.529 263 H HN 0.679 nan 8.280 nan 0.000 0.519 264 A N 3.008 125.934 122.820 0.176 0.000 2.413 264 A HA 0.583 4.903 4.320 0.000 0.000 0.307 264 A C -1.323 176.300 177.584 0.066 0.000 1.087 264 A CA -0.693 51.403 52.037 0.098 0.000 0.750 264 A CB 1.985 21.066 19.000 0.135 0.000 1.296 264 A HN 0.463 nan 8.150 nan 0.000 0.423 265 L N 1.676 122.917 121.223 0.030 0.000 2.341 265 L HA 0.837 5.177 4.340 0.000 0.000 0.278 265 L C -1.036 175.814 176.870 -0.033 0.000 1.005 265 L CA -0.467 54.372 54.840 -0.000 0.000 0.818 265 L CB 1.343 43.403 42.059 0.001 0.000 1.259 265 L HN 0.690 nan 8.230 nan 0.000 0.418 266 I N 4.888 125.388 120.570 -0.117 0.000 2.498 266 I HA 0.552 4.722 4.170 0.000 0.000 0.290 266 I C -1.380 174.477 176.117 -0.434 0.000 1.032 266 I CA -0.575 60.559 61.300 -0.276 0.000 1.073 266 I CB 1.620 39.401 38.000 -0.365 0.000 1.251 266 I HN 0.613 nan 8.210 nan 0.000 0.426 267 I N 7.832 128.142 120.570 -0.433 0.000 2.378 267 I HA 0.292 4.462 4.170 0.000 0.000 0.291 267 I C -1.179 174.583 176.117 -0.592 0.000 0.992 267 I CA -0.108 60.950 61.300 -0.403 0.000 1.154 267 I CB 1.310 39.204 38.000 -0.177 0.000 1.315 267 I HN 0.338 nan 8.210 nan 0.000 0.448 268 Y N 3.991 124.163 120.300 -0.213 0.000 2.491 268 Y HA 0.391 4.941 4.550 0.000 0.000 0.334 268 Y C -0.126 175.631 175.900 -0.240 0.000 0.969 268 Y CA -0.719 57.234 58.100 -0.245 0.000 1.241 268 Y CB 0.864 39.193 38.460 -0.219 0.000 1.105 268 Y HN 0.409 nan 8.280 nan 0.000 0.503 269 D N 3.911 124.191 120.400 -0.200 0.000 2.462 269 D HA 0.188 4.829 4.640 0.000 0.000 0.249 269 D C -1.213 175.045 176.300 -0.070 0.000 1.117 269 D CA -0.373 53.537 54.000 -0.150 0.000 0.900 269 D CB 0.384 41.041 40.800 -0.237 0.000 1.039 269 D HN 0.709 nan 8.370 nan 0.000 0.516 270 D N 0.351 120.740 120.400 -0.017 0.000 2.531 270 D HA 0.262 4.902 4.640 0.000 0.000 0.244 270 D C 1.051 177.338 176.300 -0.023 0.000 1.090 270 D CA -0.753 53.236 54.000 -0.018 0.000 0.989 270 D CB 1.268 42.067 40.800 -0.002 0.000 1.433 270 D HN 0.050 nan 8.370 nan 0.000 0.492 271 L N 0.210 121.387 121.223 -0.077 0.000 2.395 271 L HA -0.044 4.296 4.340 0.000 0.000 0.218 271 L C 1.779 178.643 176.870 -0.009 0.000 1.130 271 L CA 0.571 55.328 54.840 -0.138 0.000 0.826 271 L CB -0.411 41.363 42.059 -0.475 0.000 0.941 271 L HN 0.443 nan 8.230 nan 0.000 0.451 272 S N 0.323 116.027 115.700 0.006 0.000 2.356 272 S HA -0.192 4.278 4.470 0.000 0.000 0.223 272 S C 1.921 176.593 174.600 0.120 0.000 1.032 272 S CA 1.335 59.575 58.200 0.068 0.000 1.005 272 S CB -0.119 63.118 63.200 0.062 0.000 0.867 272 S HN 0.400 nan 8.310 nan 0.000 0.449 273 K N 1.039 121.497 120.400 0.096 0.000 2.097 273 K HA -0.085 4.235 4.320 0.000 0.000 0.205 273 K C 2.470 179.153 176.600 0.139 0.000 1.050 273 K CA 0.916 57.270 56.287 0.112 0.000 0.938 273 K CB -0.161 32.389 32.500 0.083 0.000 0.718 273 K HN 0.353 nan 8.250 nan 0.000 0.442 274 Q N 0.650 120.527 119.800 0.129 0.000 2.084 274 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 274 Q C 2.020 178.160 176.000 0.233 0.000 0.978 274 Q CA 1.570 57.469 55.803 0.160 0.000 0.844 274 Q CB -0.056 28.739 28.738 0.095 0.000 0.898 274 Q HN 0.336 nan 8.270 nan 0.000 0.426 275 A N -0.121 122.842 122.820 0.237 0.000 1.930 275 A HA -0.098 4.222 4.320 0.000 0.000 0.217 275 A C 2.204 180.053 177.584 0.443 0.000 1.175 275 A CA 1.258 53.453 52.037 0.263 0.000 0.627 275 A CB -0.551 18.502 19.000 0.089 0.000 0.815 275 A HN 0.283 nan 8.150 nan 0.000 0.443 276 V N -0.071 120.063 119.914 0.367 0.000 2.295 276 V HA -0.265 3.855 4.120 0.000 0.000 0.246 276 V C 3.071 179.275 176.094 0.183 0.000 1.049 276 V CA 1.963 64.424 62.300 0.268 0.000 1.024 276 V CB -1.212 30.722 31.823 0.186 0.000 0.648 276 V HN 0.610 nan 8.190 nan 0.000 0.447 277 A N -1.012 121.928 122.820 0.200 0.000 1.908 277 A HA -0.288 4.032 4.320 0.000 0.000 0.218 277 A C 2.180 179.888 177.584 0.207 0.000 1.181 277 A CA 2.186 54.333 52.037 0.184 0.000 0.627 277 A CB -0.785 18.347 19.000 0.219 0.000 0.818 277 A HN 0.629 nan 8.150 nan 0.000 0.445 278 Y N 0.348 120.734 120.300 0.144 0.000 2.242 278 Y HA -0.145 4.405 4.550 0.000 0.000 0.291 278 Y C 2.478 178.406 175.900 0.046 0.000 1.137 278 Y CA 1.795 59.945 58.100 0.083 0.000 1.181 278 Y CB -0.376 38.177 38.460 0.154 0.000 0.989 278 Y HN 0.353 nan 8.280 nan 0.000 0.527 279 R N 0.277 120.821 120.500 0.072 0.000 2.096 279 R HA -0.226 4.114 4.340 0.000 0.000 0.235 279 R C 2.405 178.621 176.300 -0.141 0.000 1.127 279 R CA 1.761 57.817 56.100 -0.073 0.000 0.968 279 R CB -0.388 29.852 30.300 -0.101 0.000 0.861 279 R HN 0.551 nan 8.270 nan 0.000 0.440 280 Q N 0.389 120.142 119.800 -0.079 0.000 2.030 280 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 280 Q C 2.075 178.003 176.000 -0.121 0.000 0.986 280 Q CA 2.276 58.031 55.803 -0.080 0.000 0.843 280 Q CB -0.096 28.625 28.738 -0.029 0.000 0.904 280 Q HN 0.417 nan 8.270 nan 0.000 0.420 281 M N -0.119 119.387 119.600 -0.156 0.000 2.086 281 M HA -0.165 4.315 4.480 0.000 0.000 0.261 281 M C 2.381 178.529 176.300 -0.253 0.000 1.067 281 M CA 1.746 56.927 55.300 -0.199 0.000 1.116 281 M CB -0.075 32.377 32.600 -0.246 0.000 1.348 281 M HN 0.137 nan 8.290 nan 0.000 0.407 282 S N 0.810 116.280 115.700 -0.384 0.000 2.356 282 S HA -0.068 4.402 4.470 0.000 0.000 0.223 282 S C 1.894 176.376 174.600 -0.198 0.000 1.032 282 S CA 1.167 59.154 58.200 -0.355 0.000 1.005 282 S CB -0.501 62.400 63.200 -0.497 0.000 0.867 282 S HN 0.368 nan 8.310 nan 0.000 0.449 283 L N 0.947 122.070 121.223 -0.166 0.000 2.083 283 L HA -0.062 4.278 4.340 0.000 0.000 0.209 283 L C 2.145 178.960 176.870 -0.092 0.000 1.083 283 L CA 1.015 55.789 54.840 -0.110 0.000 0.752 283 L CB -0.518 41.481 42.059 -0.100 0.000 0.899 283 L HN 0.279 nan 8.230 nan 0.000 0.433 284 L N -0.834 120.330 121.223 -0.098 0.000 2.217 284 L HA -0.140 4.200 4.340 0.000 0.000 0.211 284 L C 2.127 178.953 176.870 -0.073 0.000 1.107 284 L CA 0.628 55.422 54.840 -0.077 0.000 0.783 284 L CB -0.240 41.775 42.059 -0.073 0.000 0.919 284 L HN 0.251 nan 8.230 nan 0.000 0.442 285 L N -0.298 120.871 121.223 -0.091 0.000 2.622 285 L HA 0.013 4.353 4.340 0.000 0.000 0.233 285 L C 0.681 177.514 176.870 -0.061 0.000 1.156 285 L CA 0.072 54.866 54.840 -0.076 0.000 0.866 285 L CB -0.213 41.789 42.059 -0.095 0.000 0.980 285 L HN 0.258 nan 8.230 nan 0.000 0.448 286 R N 0.157 120.620 120.500 -0.061 0.000 3.651 286 R HA -0.162 4.178 4.340 0.000 0.000 0.292 286 R C -0.088 176.187 176.300 -0.042 0.000 1.161 286 R CA 0.539 56.611 56.100 -0.047 0.000 0.787 286 R CB -2.021 28.259 30.300 -0.034 0.000 1.249 286 R HN 0.453 nan 8.270 nan 0.000 0.476 287 R N 1.648 122.115 120.500 -0.056 0.000 2.543 287 R HA 0.163 4.503 4.340 0.000 0.000 0.277 287 R C -1.730 174.552 176.300 -0.030 0.000 1.074 287 R CA -1.390 54.684 56.100 -0.042 0.000 1.076 287 R CB 0.237 30.502 30.300 -0.059 0.000 0.993 287 R HN -0.059 nan 8.270 nan 0.000 0.459 288 P HA 0.038 nan 4.420 nan 0.000 0.263 288 P C -2.421 174.884 177.300 0.009 0.000 1.195 288 P CA -0.891 62.208 63.100 -0.002 0.000 0.762 288 P CB -0.032 31.672 31.700 0.007 0.000 0.799 289 P HA 0.368 nan 4.420 nan 0.000 0.281 289 P C 0.284 177.609 177.300 0.042 0.000 1.249 289 P CA -0.084 63.027 63.100 0.018 0.000 0.810 289 P CB 1.213 32.909 31.700 -0.008 0.000 1.008 290 G N 0.643 109.495 108.800 0.086 0.000 3.234 290 G HA2 0.373 4.333 3.960 0.000 0.000 0.159 290 G HA3 0.373 4.333 3.960 0.000 0.000 0.159 290 G C -0.726 174.210 174.900 0.060 0.000 1.175 290 G CA -0.801 44.346 45.100 0.079 0.000 0.900 290 G HN 0.538 nan 8.290 nan 0.000 0.621 291 R N 0.565 121.055 120.500 -0.018 0.000 2.570 291 R HA 0.146 4.487 4.340 0.000 0.000 0.277 291 R C 0.111 176.496 176.300 0.142 0.000 1.039 291 R CA 0.832 56.865 56.100 -0.112 0.000 1.065 291 R CB -0.143 29.822 30.300 -0.558 0.000 0.964 291 R HN 0.693 nan 8.270 nan 0.000 0.428 292 E N 2.546 122.819 120.200 0.122 0.000 2.660 292 E HA -0.344 4.006 4.350 0.000 0.000 0.260 292 E C 0.379 176.971 176.600 -0.015 0.000 1.122 292 E CA 0.502 56.996 56.400 0.156 0.000 0.755 292 E CB -1.229 28.707 29.700 0.394 0.000 1.345 292 E HN 0.874 nan 8.360 nan 0.000 0.421 293 A N -2.219 120.599 122.820 -0.003 0.000 3.132 293 A HA -0.324 3.996 4.320 0.000 0.000 0.266 293 A C 0.186 177.723 177.584 -0.078 0.000 1.216 293 A CA 1.850 53.847 52.037 -0.066 0.000 0.985 293 A CB -2.147 16.779 19.000 -0.124 0.000 1.102 293 A HN 0.473 nan 8.150 nan 0.000 0.833 294 Y N 0.772 121.177 120.300 0.174 0.000 2.497 294 Y HA 0.389 4.939 4.550 0.000 0.000 0.334 294 Y C -1.085 174.926 175.900 0.186 0.000 1.199 294 Y CA -0.939 57.275 58.100 0.190 0.000 1.425 294 Y CB 0.308 38.920 38.460 0.253 0.000 1.291 294 Y HN 0.274 nan 8.280 nan 0.000 0.562 295 P HA 0.034 nan 4.420 nan 0.000 0.274 295 P C 0.556 178.022 177.300 0.277 0.000 1.256 295 P CA -0.094 63.123 63.100 0.196 0.000 0.795 295 P CB 0.891 32.645 31.700 0.090 0.000 1.038 296 G N 1.088 110.018 108.800 0.217 0.000 2.448 296 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 296 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 296 G C 0.749 175.796 174.900 0.245 0.000 1.127 296 G CA 0.664 45.898 45.100 0.224 0.000 0.766 296 G HN 0.630 nan 8.290 nan 0.000 0.552 297 D N 0.286 120.846 120.400 0.267 0.000 2.325 297 D HA 0.067 4.707 4.640 0.000 0.000 0.225 297 D C 1.906 178.396 176.300 0.316 0.000 1.096 297 D CA -0.226 53.967 54.000 0.322 0.000 0.844 297 D CB 0.014 41.030 40.800 0.359 0.000 0.925 297 D HN 0.140 nan 8.370 nan 0.000 0.513 298 V N -0.105 119.958 119.914 0.249 0.000 2.515 298 V HA -0.151 3.969 4.120 0.000 0.000 0.250 298 V C 1.830 177.872 176.094 -0.088 0.000 1.058 298 V CA 1.186 63.517 62.300 0.052 0.000 1.064 298 V CB -0.724 31.084 31.823 -0.026 0.000 0.675 298 V HN 0.188 nan 8.190 nan 0.000 0.461 299 F N 0.057 119.971 119.950 -0.060 0.000 2.102 299 F HA -0.216 4.311 4.527 0.000 0.000 0.298 299 F C 2.151 177.985 175.800 0.056 0.000 1.105 299 F CA 2.358 60.349 58.000 -0.016 0.000 1.239 299 F CB -0.601 38.433 39.000 0.057 0.000 0.991 299 F HN 0.365 nan 8.300 nan 0.000 0.474 300 Y N 0.457 120.777 120.300 0.032 0.000 2.293 300 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 300 Y C 2.104 177.923 175.900 -0.134 0.000 1.137 300 Y CA 1.507 59.590 58.100 -0.027 0.000 1.202 300 Y CB -0.749 37.771 38.460 0.100 0.000 0.990 300 Y HN 0.218 nan 8.280 nan 0.000 0.537 301 L N -0.100 120.998 121.223 -0.208 0.000 2.013 301 L HA -0.281 4.059 4.340 0.000 0.000 0.212 301 L C 2.101 178.793 176.870 -0.296 0.000 1.073 301 L CA 2.456 57.090 54.840 -0.342 0.000 0.753 301 L CB -0.861 40.894 42.059 -0.507 0.000 0.890 301 L HN 0.363 nan 8.230 nan 0.000 0.432 302 H N -1.867 117.009 119.070 -0.323 0.000 2.482 302 H HA -0.008 4.548 4.556 0.000 0.000 0.286 302 H C 2.372 177.452 175.328 -0.415 0.000 1.017 302 H CA 0.753 56.570 56.048 -0.386 0.000 1.322 302 H CB 0.143 29.683 29.762 -0.370 0.000 1.426 302 H HN 0.561 nan 8.280 nan 0.000 0.546 303 S N 1.484 116.942 115.700 -0.404 0.000 2.368 303 S HA -0.192 4.278 4.470 0.000 0.000 0.224 303 S C 2.111 176.586 174.600 -0.208 0.000 1.029 303 S CA 0.999 58.970 58.200 -0.383 0.000 0.988 303 S CB -0.145 62.733 63.200 -0.538 0.000 0.838 303 S HN 0.532 nan 8.310 nan 0.000 0.462 304 R N 0.616 120.977 120.500 -0.231 0.000 2.115 304 R HA 0.119 4.459 4.340 0.000 0.000 0.226 304 R C 2.324 178.576 176.300 -0.081 0.000 1.100 304 R CA 1.159 57.155 56.100 -0.173 0.000 0.980 304 R CB -0.778 29.327 30.300 -0.325 0.000 0.875 304 R HN 0.450 nan 8.270 nan 0.000 0.445 305 L N 1.315 122.483 121.223 -0.091 0.000 2.005 305 L HA -0.024 4.316 4.340 0.000 0.000 0.207 305 L C 2.069 178.847 176.870 -0.152 0.000 1.072 305 L CA 1.645 56.382 54.840 -0.172 0.000 0.744 305 L CB -0.238 41.514 42.059 -0.513 0.000 0.895 305 L HN 0.217 nan 8.230 nan 0.000 0.433 306 L N -0.657 120.468 121.223 -0.163 0.000 2.341 306 L HA -0.004 4.336 4.340 0.000 0.000 0.214 306 L C 2.195 179.041 176.870 -0.040 0.000 1.115 306 L CA 0.270 55.057 54.840 -0.089 0.000 0.820 306 L CB -0.533 41.457 42.059 -0.115 0.000 0.944 306 L HN 0.269 nan 8.230 nan 0.000 0.452 307 E N 0.421 120.591 120.200 -0.050 0.000 2.482 307 E HA -0.095 4.255 4.350 0.000 0.000 0.196 307 E C 1.956 178.550 176.600 -0.009 0.000 1.047 307 E CA 0.431 56.817 56.400 -0.023 0.000 0.869 307 E CB 0.109 29.797 29.700 -0.020 0.000 0.836 307 E HN 0.474 nan 8.360 nan 0.000 0.520 308 R N 0.671 121.170 120.500 -0.003 0.000 2.200 308 R HA 0.110 4.450 4.340 0.000 0.000 0.208 308 R C 0.943 177.260 176.300 0.029 0.000 1.033 308 R CA 0.391 56.499 56.100 0.014 0.000 1.000 308 R CB 0.112 30.430 30.300 0.029 0.000 0.906 308 R HN -0.068 nan 8.270 nan 0.000 0.462 309 A N 1.276 124.119 122.820 0.038 0.000 2.492 309 A HA 0.525 4.845 4.320 0.000 0.000 0.254 309 A C -0.165 177.432 177.584 0.023 0.000 1.091 309 A CA 0.284 52.346 52.037 0.041 0.000 0.768 309 A CB 0.202 19.231 19.000 0.049 0.000 1.028 309 A HN 0.325 nan 8.150 nan 0.000 0.498 310 A N 2.355 125.189 122.820 0.024 0.000 2.612 310 A HA 0.692 5.012 4.320 0.000 0.000 0.293 310 A C -0.789 176.809 177.584 0.023 0.000 1.075 310 A CA -0.766 51.277 52.037 0.011 0.000 0.680 310 A CB 1.119 20.113 19.000 -0.010 0.000 1.279 310 A HN 0.903 nan 8.150 nan 0.000 0.411 311 K N 1.930 122.340 120.400 0.018 0.000 2.293 311 K HA 0.589 4.909 4.320 0.000 0.000 0.267 311 K C -0.645 175.967 176.600 0.021 0.000 1.010 311 K CA -0.318 55.989 56.287 0.035 0.000 0.875 311 K CB 0.420 32.941 32.500 0.035 0.000 1.106 311 K HN 0.599 nan 8.250 nan 0.000 0.450 312 M N 3.414 123.032 119.600 0.031 0.000 2.211 312 M HA 0.188 4.668 4.480 0.000 0.000 0.356 312 M C 0.222 176.565 176.300 0.073 0.000 1.216 312 M CA -0.710 54.610 55.300 0.033 0.000 1.134 312 M CB 0.317 32.946 32.600 0.049 0.000 1.564 312 M HN 0.740 nan 8.290 nan 0.000 0.463 313 N N 1.542 120.302 118.700 0.099 0.000 2.354 313 N HA 0.030 4.770 4.740 0.000 0.000 0.246 313 N C 0.108 175.702 175.510 0.141 0.000 1.285 313 N CA -0.097 53.025 53.050 0.121 0.000 0.925 313 N CB 0.505 39.070 38.487 0.130 0.000 1.174 313 N HN 0.414 nan 8.380 nan 0.000 0.478 314 D N -0.078 120.378 120.400 0.092 0.000 2.182 314 D HA -0.136 4.504 4.640 0.000 0.000 0.201 314 D C 1.521 177.841 176.300 0.033 0.000 0.986 314 D CA 1.741 55.775 54.000 0.056 0.000 0.847 314 D CB -0.558 40.263 40.800 0.034 0.000 0.942 314 D HN 0.738 nan 8.370 nan 0.000 0.467 315 A N -0.622 122.225 122.820 0.045 0.000 2.119 315 A HA -0.056 4.264 4.320 0.000 0.000 0.217 315 A C 1.188 178.588 177.584 -0.306 0.000 1.153 315 A CA 0.533 52.510 52.037 -0.101 0.000 0.692 315 A CB -0.413 18.533 19.000 -0.091 0.000 0.799 315 A HN 0.159 nan 8.150 nan 0.000 0.458 316 F N -1.315 118.626 119.950 -0.016 0.000 2.708 316 F HA 0.428 4.956 4.527 0.000 0.000 0.300 316 F C 1.614 177.392 175.800 -0.036 0.000 1.118 316 F CA 0.508 58.494 58.000 -0.024 0.000 1.307 316 F CB 0.748 39.737 39.000 -0.019 0.000 0.986 316 F HN 0.306 nan 8.300 nan 0.000 0.522 317 G N -0.332 108.502 108.800 0.056 0.000 2.284 317 G HA2 -0.094 3.866 3.960 0.000 0.000 0.216 317 G HA3 -0.094 3.866 3.960 0.000 0.000 0.216 317 G C 1.316 176.218 174.900 0.004 0.000 1.009 317 G CA -0.048 45.057 45.100 0.009 0.000 0.625 317 G HN 1.084 nan 8.290 nan 0.000 0.501 318 G N -0.471 108.352 108.800 0.038 0.000 2.195 318 G HA2 0.192 4.152 3.960 0.000 0.000 0.246 318 G HA3 0.192 4.152 3.960 0.000 0.000 0.246 318 G C 1.640 176.537 174.900 -0.005 0.000 0.984 318 G CA 1.081 46.204 45.100 0.038 0.000 0.633 318 G HN 2.152 nan 8.290 nan 0.000 0.525 319 G N -0.179 108.564 108.800 -0.095 0.000 2.683 319 G HA2 0.660 4.620 3.960 0.000 0.000 0.260 319 G HA3 0.660 4.620 3.960 0.000 0.000 0.260 319 G C 0.345 175.204 174.900 -0.069 0.000 1.238 319 G CA 1.186 46.132 45.100 -0.256 0.000 0.934 319 G HN 1.896 nan 8.290 nan 0.000 0.534 320 S N -1.775 113.913 115.700 -0.020 0.000 2.565 320 S HA 0.591 5.061 4.470 0.000 0.000 0.269 320 S C -1.559 173.108 174.600 0.112 0.000 1.153 320 S CA -0.821 57.449 58.200 0.117 0.000 0.835 320 S CB 1.913 65.258 63.200 0.241 0.000 1.122 320 S HN 1.157 nan 8.310 nan 0.000 0.462 321 L N 1.580 122.855 121.223 0.087 0.000 2.406 321 L HA 0.766 5.106 4.340 0.000 0.000 0.272 321 L C -0.813 176.091 176.870 0.056 0.000 0.980 321 L CA 0.212 55.101 54.840 0.082 0.000 0.831 321 L CB 1.929 44.037 42.059 0.081 0.000 1.253 321 L HN 0.935 nan 8.230 nan 0.000 0.406 322 T N 4.232 118.810 114.554 0.040 0.000 2.824 322 T HA 0.850 5.200 4.350 0.000 0.000 0.280 322 T C -0.408 174.286 174.700 -0.011 0.000 0.995 322 T CA -0.282 61.827 62.100 0.015 0.000 1.009 322 T CB 1.473 70.344 68.868 0.004 0.000 0.955 322 T HN 0.809 nan 8.240 nan 0.000 0.452 323 A N 3.267 126.085 122.820 -0.004 0.000 2.331 323 A HA 0.760 5.080 4.320 0.000 0.000 0.320 323 A C -0.509 177.062 177.584 -0.022 0.000 1.138 323 A CA -0.741 51.281 52.037 -0.025 0.000 0.790 323 A CB 0.590 19.648 19.000 0.097 0.000 1.206 323 A HN 0.866 nan 8.150 nan 0.000 0.470 324 L N 4.556 125.735 121.223 -0.074 0.000 2.435 324 L HA 0.321 4.661 4.340 0.000 0.000 0.253 324 L C -2.325 174.534 176.870 -0.018 0.000 1.087 324 L CA -1.716 53.103 54.840 -0.035 0.000 0.950 324 L CB 1.243 43.281 42.059 -0.035 0.000 1.304 324 L HN 0.493 nan 8.230 nan 0.000 0.453 325 P HA 0.155 nan 4.420 nan 0.000 0.274 325 P C -0.512 176.794 177.300 0.010 0.000 1.231 325 P CA -0.166 62.990 63.100 0.092 0.000 0.790 325 P CB 2.104 33.824 31.700 0.032 0.000 0.951 326 V N 3.996 123.907 119.914 -0.005 0.000 2.495 326 V HA 0.383 4.503 4.120 0.000 0.000 0.298 326 V C 0.333 176.411 176.094 -0.027 0.000 1.031 326 V CA -0.625 61.669 62.300 -0.010 0.000 0.871 326 V CB 1.744 33.565 31.823 -0.005 0.000 0.988 326 V HN 0.427 nan 8.190 nan 0.000 0.432 327 I N 3.364 123.928 120.570 -0.010 0.000 2.465 327 I HA 0.416 4.586 4.170 0.000 0.000 0.291 327 I C 0.084 176.217 176.117 0.027 0.000 1.014 327 I CA -0.382 60.916 61.300 -0.005 0.000 1.093 327 I CB 2.045 40.041 38.000 -0.008 0.000 1.267 327 I HN 0.755 nan 8.210 nan 0.000 0.431 328 E N 4.978 125.198 120.200 0.032 0.000 2.130 328 E HA 0.285 4.635 4.350 0.000 0.000 0.284 328 E C -0.405 176.234 176.600 0.065 0.000 1.018 328 E CA -0.377 56.049 56.400 0.044 0.000 0.817 328 E CB 0.959 30.683 29.700 0.040 0.000 1.078 328 E HN 0.684 nan 8.360 nan 0.000 0.396 329 T N 2.034 116.639 114.554 0.084 0.000 2.918 329 T HA 0.292 4.642 4.350 0.000 0.000 0.283 329 T C -0.039 174.714 174.700 0.088 0.000 1.001 329 T CA -0.994 61.168 62.100 0.103 0.000 1.041 329 T CB 1.502 70.463 68.868 0.156 0.000 1.028 329 T HN 0.322 nan 8.240 nan 0.000 0.511 330 Q N 0.701 120.554 119.800 0.089 0.000 2.348 330 Q HA 0.537 4.877 4.340 0.000 0.000 0.265 330 Q C 0.629 176.676 176.000 0.078 0.000 0.998 330 Q CA -0.111 55.738 55.803 0.077 0.000 0.831 330 Q CB 1.236 30.020 28.738 0.076 0.000 1.251 330 Q HN 1.222 nan 8.270 nan 0.000 0.456 331 A N 2.359 125.223 122.820 0.073 0.000 2.816 331 A HA -0.200 4.120 4.320 0.000 0.000 0.270 331 A C 1.129 178.772 177.584 0.097 0.000 1.413 331 A CA 1.601 53.683 52.037 0.074 0.000 0.866 331 A CB -2.087 16.950 19.000 0.061 0.000 1.032 331 A HN 1.611 nan 8.150 nan 0.000 0.642 332 G N -1.448 107.429 108.800 0.129 0.000 2.143 332 G HA2 -0.152 3.808 3.960 0.000 0.000 0.248 332 G HA3 -0.152 3.808 3.960 0.000 0.000 0.248 332 G C -0.164 174.807 174.900 0.119 0.000 0.991 332 G CA 1.049 46.264 45.100 0.191 0.000 0.689 332 G HN 1.707 nan 8.290 nan 0.000 0.522 333 D N 0.563 121.017 120.400 0.090 0.000 2.402 333 D HA 0.401 5.041 4.640 0.000 0.000 0.235 333 D C 1.796 178.128 176.300 0.053 0.000 1.226 333 D CA 0.269 54.305 54.000 0.059 0.000 0.918 333 D CB 0.811 41.648 40.800 0.061 0.000 1.043 333 D HN 0.592 nan 8.370 nan 0.000 0.506 334 V N 1.331 121.253 119.914 0.013 0.000 3.380 334 V HA 0.016 4.136 4.120 0.000 0.000 0.268 334 V C 1.568 177.674 176.094 0.021 0.000 1.168 334 V CA 0.694 62.994 62.300 0.000 0.000 1.156 334 V CB -0.152 31.624 31.823 -0.079 0.000 0.785 334 V HN 0.320 nan 8.190 nan 0.000 0.487 335 S N 0.710 116.427 115.700 0.029 0.000 2.562 335 S HA 0.491 4.961 4.470 0.000 0.000 0.221 335 S C 1.302 175.948 174.600 0.076 0.000 0.975 335 S CA 0.415 58.641 58.200 0.043 0.000 0.918 335 S CB -0.281 62.936 63.200 0.028 0.000 0.772 335 S HN 0.909 nan 8.310 nan 0.000 0.531 336 A N 0.454 123.328 122.820 0.090 0.000 2.448 336 A HA 0.228 4.548 4.320 0.000 0.000 0.239 336 A C 0.813 178.510 177.584 0.189 0.000 1.080 336 A CA -0.090 52.027 52.037 0.133 0.000 0.779 336 A CB -0.168 18.909 19.000 0.128 0.000 1.026 336 A HN 0.533 nan 8.150 nan 0.000 0.499 337 Y N 0.901 121.235 120.300 0.057 0.000 2.097 337 Y HA -0.237 4.313 4.550 0.000 0.000 0.282 337 Y C 1.800 177.695 175.900 -0.009 0.000 1.152 337 Y CA 1.758 59.879 58.100 0.035 0.000 1.136 337 Y CB -0.000 38.501 38.460 0.068 0.000 0.975 337 Y HN 0.560 nan 8.280 nan 0.000 0.498 338 I N 0.417 120.939 120.570 -0.079 0.000 2.233 338 I HA -0.146 4.024 4.170 0.000 0.000 0.243 338 I C -0.677 175.414 176.117 -0.044 0.000 1.093 338 I CA 1.013 62.196 61.300 -0.196 0.000 1.380 338 I CB -2.829 35.015 38.000 -0.259 0.000 1.067 338 I HN 0.191 nan 8.210 nan 0.000 0.413 339 P HA -0.100 nan 4.420 nan 0.000 0.215 339 P C 1.802 179.127 177.300 0.041 0.000 1.153 339 P CA 1.657 64.772 63.100 0.024 0.000 0.853 339 P CB -0.184 31.545 31.700 0.048 0.000 0.788 340 T N -0.331 114.269 114.554 0.076 0.000 2.635 340 T HA -0.189 4.161 4.350 0.000 0.000 0.267 340 T C 1.616 176.391 174.700 0.125 0.000 1.040 340 T CA 1.822 63.983 62.100 0.101 0.000 1.156 340 T CB -1.101 67.856 68.868 0.149 0.000 0.863 340 T HN 0.124 nan 8.240 nan 0.000 0.430 341 N N 0.880 119.668 118.700 0.146 0.000 2.036 341 N HA -0.096 4.644 4.740 0.000 0.000 0.195 341 N C 1.998 177.597 175.510 0.147 0.000 1.037 341 N CA 1.083 54.279 53.050 0.244 0.000 0.855 341 N CB -1.016 37.581 38.487 0.183 0.000 1.033 341 N HN 0.239 nan 8.380 nan 0.000 0.423 342 V N 1.554 121.484 119.914 0.027 0.000 2.358 342 V HA -0.136 3.984 4.120 0.000 0.000 0.246 342 V C 2.267 178.356 176.094 -0.008 0.000 1.047 342 V CA 1.090 63.358 62.300 -0.053 0.000 1.035 342 V CB -0.529 31.203 31.823 -0.153 0.000 0.658 342 V HN 0.225 nan 8.190 nan 0.000 0.452 343 I N 1.508 122.089 120.570 0.019 0.000 2.248 343 I HA -0.281 3.889 4.170 0.000 0.000 0.248 343 I C 2.626 178.773 176.117 0.049 0.000 1.107 343 I CA 2.041 63.357 61.300 0.027 0.000 1.373 343 I CB -0.496 37.518 38.000 0.023 0.000 1.055 343 I HN 0.505 nan 8.210 nan 0.000 0.418 344 S N 0.406 116.161 115.700 0.092 0.000 2.453 344 S HA -0.002 4.468 4.470 0.000 0.000 0.231 344 S C 1.854 176.536 174.600 0.137 0.000 1.005 344 S CA 0.566 58.842 58.200 0.127 0.000 0.949 344 S CB -0.478 62.834 63.200 0.187 0.000 0.774 344 S HN 0.437 nan 8.310 nan 0.000 0.510 345 I N 2.129 122.758 120.570 0.100 0.000 2.429 345 I HA -0.002 4.168 4.170 0.000 0.000 0.247 345 I C 1.649 177.775 176.117 0.016 0.000 1.099 345 I CA 0.857 62.182 61.300 0.041 0.000 1.422 345 I CB -0.626 37.327 38.000 -0.078 0.000 1.112 345 I HN 0.406 nan 8.210 nan 0.000 0.430 346 T N -1.859 112.698 114.554 0.005 0.000 2.754 346 T HA 0.061 4.411 4.350 0.000 0.000 0.286 346 T C 0.477 175.187 174.700 0.016 0.000 0.997 346 T CA -0.464 61.638 62.100 0.003 0.000 0.982 346 T CB 0.739 69.604 68.868 -0.004 0.000 1.027 346 T HN 0.063 nan 8.240 nan 0.000 0.529 347 D N 0.287 120.695 120.400 0.014 0.000 2.325 347 D HA 0.362 5.002 4.640 0.000 0.000 0.225 347 D C 0.948 177.259 176.300 0.018 0.000 1.096 347 D CA 0.405 54.415 54.000 0.017 0.000 0.844 347 D CB -0.047 40.761 40.800 0.014 0.000 0.925 347 D HN 0.944 nan 8.370 nan 0.000 0.513 348 G N 1.023 109.835 108.800 0.020 0.000 2.361 348 G HA2 0.238 4.198 3.960 0.000 0.000 0.305 348 G HA3 0.238 4.198 3.960 0.000 0.000 0.305 348 G C -1.873 173.045 174.900 0.030 0.000 1.367 348 G CA -0.965 44.150 45.100 0.024 0.000 0.951 348 G HN 0.132 nan 8.290 nan 0.000 0.615 349 Q N -0.988 118.837 119.800 0.041 0.000 2.345 349 Q HA 0.756 5.096 4.340 0.000 0.000 0.275 349 Q C -1.372 174.681 176.000 0.087 0.000 1.063 349 Q CA -1.088 54.753 55.803 0.063 0.000 0.819 349 Q CB 2.450 31.232 28.738 0.072 0.000 1.356 349 Q HN 0.575 nan 8.270 nan 0.000 0.418 350 I N 2.979 123.605 120.570 0.093 0.000 2.304 350 I HA 0.315 4.485 4.170 0.000 0.000 0.291 350 I C -0.987 175.226 176.117 0.159 0.000 1.018 350 I CA -0.666 60.694 61.300 0.102 0.000 1.260 350 I CB 0.604 38.639 38.000 0.057 0.000 1.390 350 I HN 0.569 nan 8.210 nan 0.000 0.475 351 F N 8.124 128.085 119.950 0.018 0.000 2.415 351 F HA 0.603 5.130 4.527 0.000 0.000 0.348 351 F C -0.813 175.001 175.800 0.024 0.000 1.119 351 F CA -0.623 57.389 58.000 0.020 0.000 1.069 351 F CB 0.697 39.709 39.000 0.021 0.000 1.124 351 F HN 0.182 nan 8.300 nan 0.000 0.472 352 L N 5.303 126.121 121.223 -0.674 0.000 2.334 352 L HA 0.601 4.941 4.340 0.000 0.000 0.273 352 L C -0.750 175.659 176.870 -0.769 0.000 1.013 352 L CA -0.823 53.699 54.840 -0.531 0.000 0.816 352 L CB 1.981 43.886 42.059 -0.257 0.000 1.278 352 L HN 0.537 nan 8.230 nan 0.000 0.431 353 E N 0.019 119.980 120.200 -0.398 0.000 2.292 353 E HA 0.233 4.583 4.350 0.000 0.000 0.272 353 E C -0.268 176.275 176.600 -0.094 0.000 0.881 353 E CA -0.435 55.807 56.400 -0.264 0.000 0.754 353 E CB 2.488 32.105 29.700 -0.138 0.000 1.201 353 E HN 0.556 nan 8.360 nan 0.000 0.425 354 T N 1.224 115.739 114.554 -0.066 0.000 2.788 354 T HA -0.199 4.151 4.350 0.000 0.000 0.268 354 T C 1.525 176.303 174.700 0.129 0.000 1.044 354 T CA 1.519 63.612 62.100 -0.012 0.000 1.139 354 T CB 0.039 68.929 68.868 0.036 0.000 0.867 354 T HN 0.548 nan 8.240 nan 0.000 0.454 355 E N 0.765 121.040 120.200 0.124 0.000 2.051 355 E HA -0.103 4.247 4.350 0.000 0.000 0.192 355 E C 2.147 178.829 176.600 0.136 0.000 0.991 355 E CA 0.864 57.356 56.400 0.153 0.000 0.799 355 E CB -0.218 29.549 29.700 0.112 0.000 0.748 355 E HN 0.434 nan 8.360 nan 0.000 0.449 356 L N 0.100 121.377 121.223 0.090 0.000 2.046 356 L HA -0.156 4.184 4.340 0.000 0.000 0.208 356 L C 2.493 179.392 176.870 0.048 0.000 1.077 356 L CA 1.150 56.028 54.840 0.064 0.000 0.747 356 L CB -0.520 41.562 42.059 0.039 0.000 0.896 356 L HN 0.236 nan 8.230 nan 0.000 0.432 357 F N 0.120 119.992 119.950 -0.129 0.000 2.065 357 F HA -0.330 4.197 4.527 0.000 0.000 0.298 357 F C 2.322 177.979 175.800 -0.238 0.000 1.112 357 F CA 1.836 59.686 58.000 -0.250 0.000 1.212 357 F CB -0.396 38.346 39.000 -0.430 0.000 0.975 357 F HN -0.059 nan 8.300 nan 0.000 0.476 358 Y N -0.169 120.282 120.300 0.250 0.000 2.439 358 Y HA -0.084 4.466 4.550 0.000 0.000 0.292 358 Y C 2.229 178.154 175.900 0.041 0.000 1.130 358 Y CA 0.745 58.930 58.100 0.141 0.000 1.254 358 Y CB -0.321 38.238 38.460 0.165 0.000 1.000 358 Y HN -0.029 nan 8.280 nan 0.000 0.554 359 K N -0.422 120.068 120.400 0.149 0.000 2.362 359 K HA -0.046 4.274 4.320 0.000 0.000 0.200 359 K C 1.476 178.092 176.600 0.025 0.000 1.046 359 K CA 0.976 57.312 56.287 0.083 0.000 0.952 359 K CB -0.196 32.347 32.500 0.072 0.000 0.753 359 K HN 0.512 nan 8.250 nan 0.000 0.466 360 G N 0.732 109.508 108.800 -0.041 0.000 2.184 360 G HA2 -0.161 3.799 3.960 0.000 0.000 0.206 360 G HA3 -0.161 3.799 3.960 0.000 0.000 0.206 360 G C 0.091 174.921 174.900 -0.117 0.000 0.995 360 G CA -0.428 44.615 45.100 -0.095 0.000 0.651 360 G HN 0.115 nan 8.290 nan 0.000 0.511 361 I N 2.277 122.793 120.570 -0.089 0.000 2.357 361 I HA 0.289 4.459 4.170 0.000 0.000 0.300 361 I C 0.695 176.723 176.117 -0.149 0.000 1.159 361 I CA 0.552 61.806 61.300 -0.077 0.000 1.339 361 I CB -0.641 37.349 38.000 -0.016 0.000 1.458 361 I HN 0.156 nan 8.210 nan 0.000 0.577 362 R N 7.471 127.859 120.500 -0.186 0.000 2.502 362 R HA 0.415 4.755 4.340 0.000 0.000 0.300 362 R C -2.539 173.685 176.300 -0.127 0.000 0.984 362 R CA -1.670 54.293 56.100 -0.227 0.000 0.882 362 R CB 2.453 32.498 30.300 -0.424 0.000 1.180 362 R HN 0.256 nan 8.270 nan 0.000 0.444 363 P HA 0.009 nan 4.420 nan 0.000 0.269 363 P C -0.360 176.921 177.300 -0.031 0.000 1.209 363 P CA -0.142 62.929 63.100 -0.049 0.000 0.776 363 P CB 0.942 32.624 31.700 -0.030 0.000 0.876 364 A N 4.427 127.253 122.820 0.010 0.000 3.033 364 A HA 0.200 4.520 4.320 0.000 0.000 0.250 364 A C 0.739 178.308 177.584 -0.025 0.000 1.633 364 A CA -0.370 51.675 52.037 0.013 0.000 1.290 364 A CB -1.435 17.628 19.000 0.105 0.000 1.048 364 A HN 0.479 nan 8.150 nan 0.000 0.648 365 I N 1.346 121.910 120.570 -0.010 0.000 2.379 365 I HA 0.033 4.203 4.170 0.000 0.000 0.290 365 I C 0.406 176.547 176.117 0.039 0.000 1.063 365 I CA -0.418 60.884 61.300 0.004 0.000 1.351 365 I CB 0.593 38.605 38.000 0.020 0.000 1.410 365 I HN 0.343 nan 8.210 nan 0.000 0.505 366 N N 6.715 125.458 118.700 0.072 0.000 2.402 366 N HA 0.050 4.790 4.740 0.000 0.000 0.259 366 N C 0.749 176.343 175.510 0.141 0.000 1.167 366 N CA 0.059 53.194 53.050 0.142 0.000 0.949 366 N CB 1.367 40.023 38.487 0.282 0.000 1.212 366 N HN 0.404 nan 8.380 nan 0.000 0.493 367 V N 3.814 123.790 119.914 0.103 0.000 2.358 367 V HA -0.130 3.990 4.120 0.000 0.000 0.246 367 V C 2.392 178.537 176.094 0.085 0.000 1.047 367 V CA 2.104 64.456 62.300 0.087 0.000 1.035 367 V CB -0.927 30.941 31.823 0.075 0.000 0.658 367 V HN 0.747 nan 8.190 nan 0.000 0.452 368 G N 0.051 108.903 108.800 0.086 0.000 2.469 368 G HA2 -0.227 3.734 3.960 0.000 0.000 0.219 368 G HA3 -0.227 3.734 3.960 0.000 0.000 0.219 368 G C 1.462 176.397 174.900 0.059 0.000 1.150 368 G CA 0.949 46.089 45.100 0.067 0.000 0.763 368 G HN 0.504 nan 8.290 nan 0.000 0.561 369 L N 0.793 122.068 121.223 0.087 0.000 2.591 369 L HA 0.197 4.537 4.340 0.000 0.000 0.228 369 L C 0.641 177.554 176.870 0.071 0.000 1.133 369 L CA -0.223 54.645 54.840 0.048 0.000 0.880 369 L CB 0.150 42.215 42.059 0.010 0.000 1.033 369 L HN 0.034 nan 8.230 nan 0.000 0.450 370 S N 0.325 116.087 115.700 0.104 0.000 2.541 370 S HA 0.593 5.063 4.470 0.000 0.000 0.283 370 S C -0.219 174.417 174.600 0.060 0.000 1.196 370 S CA -0.562 57.697 58.200 0.098 0.000 1.062 370 S CB 2.071 65.336 63.200 0.108 0.000 1.009 370 S HN 0.054 nan 8.310 nan 0.000 0.502 371 V N -0.052 119.892 119.914 0.049 0.000 3.012 371 V HA 0.847 4.967 4.120 0.000 0.000 0.307 371 V C -0.525 175.588 176.094 0.031 0.000 1.166 371 V CA -0.828 61.492 62.300 0.035 0.000 0.974 371 V CB 1.805 33.642 31.823 0.025 0.000 1.040 371 V HN 0.701 nan 8.190 nan 0.000 0.428 372 S N 1.824 117.539 115.700 0.026 0.000 2.640 372 S HA 0.503 4.973 4.470 0.000 0.000 0.320 372 S C 0.566 175.176 174.600 0.017 0.000 1.097 372 S CA -0.716 57.497 58.200 0.020 0.000 1.092 372 S CB 1.332 64.543 63.200 0.018 0.000 0.988 372 S HN 0.808 nan 8.310 nan 0.000 0.470 373 R N 2.969 123.478 120.500 0.016 0.000 2.276 373 R HA 0.050 4.390 4.340 0.000 0.000 0.203 373 R C 1.459 177.766 176.300 0.012 0.000 1.017 373 R CA 0.714 56.823 56.100 0.014 0.000 1.010 373 R CB -0.090 30.220 30.300 0.015 0.000 0.900 373 R HN 0.560 nan 8.270 nan 0.000 0.469 374 V N -0.101 119.818 119.914 0.010 0.000 2.346 374 V HA -0.001 4.119 4.120 0.000 0.000 0.244 374 V C 1.727 177.825 176.094 0.006 0.000 1.037 374 V CA 1.500 63.804 62.300 0.007 0.000 1.029 374 V CB -0.763 31.062 31.823 0.003 0.000 0.663 374 V HN 0.656 nan 8.190 nan 0.000 0.454 375 G N 0.495 109.299 108.800 0.008 0.000 2.583 375 G HA2 -0.397 3.563 3.960 0.000 0.000 0.292 375 G HA3 -0.397 3.563 3.960 0.000 0.000 0.292 375 G C 1.117 176.021 174.900 0.005 0.000 1.203 375 G CA 0.704 45.809 45.100 0.009 0.000 0.987 375 G HN 0.408 nan 8.290 nan 0.000 0.554 376 S N 0.669 116.372 115.700 0.006 0.000 2.407 376 S HA -0.086 4.384 4.470 0.000 0.000 0.235 376 S C 2.743 177.343 174.600 0.000 0.000 1.036 376 S CA 2.445 60.648 58.200 0.005 0.000 1.013 376 S CB -0.659 62.545 63.200 0.007 0.000 0.820 376 S HN 1.711 nan 8.310 nan 0.000 0.476 377 A N 0.735 123.554 122.820 -0.001 0.000 2.125 377 A HA 0.243 4.563 4.320 0.000 0.000 0.219 377 A C 1.953 179.529 177.584 -0.013 0.000 1.156 377 A CA 1.370 53.404 52.037 -0.005 0.000 0.671 377 A CB -0.508 18.490 19.000 -0.003 0.000 0.794 377 A HN 0.524 nan 8.150 nan 0.000 0.459 378 A N -1.321 121.491 122.820 -0.014 0.000 2.379 378 A HA 0.364 4.684 4.320 0.000 0.000 0.236 378 A C 0.644 178.211 177.584 -0.028 0.000 1.272 378 A CA -0.203 51.819 52.037 -0.025 0.000 0.886 378 A CB 0.011 18.998 19.000 -0.022 0.000 0.962 378 A HN 0.570 nan 8.150 nan 0.000 0.504 379 Q N 0.545 120.334 119.800 -0.019 0.000 2.345 379 Q HA 0.419 4.759 4.340 0.000 0.000 0.268 379 Q C -0.194 175.797 176.000 -0.015 0.000 1.054 379 Q CA -0.596 55.199 55.803 -0.014 0.000 0.835 379 Q CB 1.876 30.614 28.738 -0.001 0.000 1.339 379 Q HN 0.477 nan 8.270 nan 0.000 0.447 380 T N -1.517 113.028 114.554 -0.015 0.000 2.856 380 T HA 0.099 4.449 4.350 0.000 0.000 0.306 380 T C 0.974 175.675 174.700 0.001 0.000 1.062 380 T CA -0.340 61.753 62.100 -0.011 0.000 1.083 380 T CB 1.054 69.916 68.868 -0.009 0.000 0.984 380 T HN 0.676 nan 8.240 nan 0.000 0.542 381 R N 0.894 121.395 120.500 0.002 0.000 2.105 381 R HA -0.094 4.246 4.340 0.000 0.000 0.239 381 R C 2.659 178.971 176.300 0.019 0.000 1.135 381 R CA 1.429 57.535 56.100 0.010 0.000 0.967 381 R CB -0.961 29.343 30.300 0.008 0.000 0.861 381 R HN 0.875 nan 8.270 nan 0.000 0.442 382 A N 0.729 123.560 122.820 0.019 0.000 1.883 382 A HA -0.257 4.063 4.320 0.000 0.000 0.217 382 A C 2.064 179.673 177.584 0.042 0.000 1.186 382 A CA 1.793 53.847 52.037 0.030 0.000 0.624 382 A CB -0.535 18.476 19.000 0.019 0.000 0.822 382 A HN 0.384 nan 8.150 nan 0.000 0.444 383 M N -0.261 119.358 119.600 0.032 0.000 2.077 383 M HA -0.064 4.416 4.480 0.000 0.000 0.261 383 M C 1.923 178.243 176.300 0.034 0.000 1.070 383 M CA 2.211 57.532 55.300 0.035 0.000 1.125 383 M CB -0.604 32.011 32.600 0.025 0.000 1.339 383 M HN 0.376 nan 8.290 nan 0.000 0.409 384 K N -0.648 119.767 120.400 0.025 0.000 2.127 384 K HA -0.302 4.018 4.320 0.000 0.000 0.208 384 K C 2.095 178.711 176.600 0.027 0.000 1.047 384 K CA 2.103 58.403 56.287 0.022 0.000 0.927 384 K CB -0.179 32.330 32.500 0.015 0.000 0.716 384 K HN 0.482 nan 8.250 nan 0.000 0.450 385 Q N 0.154 119.976 119.800 0.036 0.000 1.921 385 Q HA -0.175 4.165 4.340 0.000 0.000 0.208 385 Q C 1.949 177.975 176.000 0.044 0.000 0.994 385 Q CA 2.774 58.604 55.803 0.045 0.000 0.857 385 Q CB -0.212 28.566 28.738 0.067 0.000 0.925 385 Q HN 0.291 nan 8.270 nan 0.000 0.421 386 V N -1.571 118.380 119.914 0.062 0.000 2.427 386 V HA -0.034 4.086 4.120 0.000 0.000 0.248 386 V C 2.144 178.259 176.094 0.035 0.000 1.051 386 V CA 1.711 64.044 62.300 0.056 0.000 1.048 386 V CB -1.600 30.283 31.823 0.099 0.000 0.666 386 V HN 0.433 nan 8.190 nan 0.000 0.456 387 A N 1.551 124.392 122.820 0.035 0.000 1.933 387 A HA 0.057 4.377 4.320 0.000 0.000 0.218 387 A C 2.416 180.012 177.584 0.020 0.000 1.175 387 A CA 1.915 53.968 52.037 0.027 0.000 0.628 387 A CB -1.525 17.491 19.000 0.027 0.000 0.814 387 A HN 0.686 nan 8.150 nan 0.000 0.444 388 G N -0.635 108.176 108.800 0.019 0.000 2.476 388 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 388 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 388 G C 1.585 176.491 174.900 0.010 0.000 1.164 388 G CA 1.839 46.948 45.100 0.014 0.000 0.768 388 G HN 0.475 nan 8.290 nan 0.000 0.560 389 T N 0.649 115.205 114.554 0.004 0.000 2.812 389 T HA -0.035 4.315 4.350 0.000 0.000 0.264 389 T C 2.275 176.972 174.700 -0.005 0.000 1.042 389 T CA 1.224 63.320 62.100 -0.006 0.000 1.140 389 T CB -0.188 68.667 68.868 -0.022 0.000 0.870 389 T HN 0.283 nan 8.240 nan 0.000 0.445 390 M N 1.289 120.889 119.600 -0.001 0.000 2.108 390 M HA -0.128 4.352 4.480 0.000 0.000 0.261 390 M C 2.323 178.631 176.300 0.013 0.000 1.066 390 M CA 1.697 56.997 55.300 0.000 0.000 1.107 390 M CB -0.167 32.436 32.600 0.005 0.000 1.356 390 M HN 0.078 nan 8.290 nan 0.000 0.406 391 K N 0.211 120.623 120.400 0.019 0.000 2.032 391 K HA -0.239 4.081 4.320 0.000 0.000 0.209 391 K C 1.945 178.564 176.600 0.031 0.000 1.048 391 K CA 1.892 58.196 56.287 0.028 0.000 0.927 391 K CB -0.426 32.089 32.500 0.025 0.000 0.712 391 K HN 0.425 nan 8.250 nan 0.000 0.441 392 L N 1.663 122.900 121.223 0.023 0.000 1.994 392 L HA -0.168 4.172 4.340 0.000 0.000 0.208 392 L C 1.757 178.647 176.870 0.033 0.000 1.071 392 L CA 1.919 56.773 54.840 0.023 0.000 0.745 392 L CB -0.416 41.650 42.059 0.012 0.000 0.892 392 L HN 0.226 nan 8.230 nan 0.000 0.431 393 E N -0.547 119.668 120.200 0.026 0.000 2.204 393 E HA -0.162 4.188 4.350 0.000 0.000 0.194 393 E C 2.262 178.910 176.600 0.079 0.000 0.989 393 E CA 1.228 57.648 56.400 0.033 0.000 0.824 393 E CB -0.188 29.510 29.700 -0.003 0.000 0.756 393 E HN 0.539 nan 8.360 nan 0.000 0.477 394 L N 0.293 121.562 121.223 0.078 0.000 2.109 394 L HA -0.067 4.273 4.340 0.000 0.000 0.207 394 L C 2.504 179.475 176.870 0.168 0.000 1.086 394 L CA 0.736 55.662 54.840 0.143 0.000 0.760 394 L CB -0.300 41.819 42.059 0.099 0.000 0.910 394 L HN 0.137 nan 8.230 nan 0.000 0.437 395 A N -0.530 122.351 122.820 0.100 0.000 1.969 395 A HA -0.207 4.113 4.320 0.000 0.000 0.218 395 A C 2.208 179.835 177.584 0.070 0.000 1.169 395 A CA 1.258 53.340 52.037 0.075 0.000 0.635 395 A CB -0.304 18.726 19.000 0.050 0.000 0.810 395 A HN 0.449 nan 8.150 nan 0.000 0.445 396 Q N -1.999 117.850 119.800 0.082 0.000 2.083 396 Q HA -0.166 4.174 4.340 0.000 0.000 0.198 396 Q C 2.018 178.080 176.000 0.103 0.000 0.969 396 Q CA 1.665 57.513 55.803 0.074 0.000 0.838 396 Q CB -0.340 28.437 28.738 0.064 0.000 0.900 396 Q HN 0.856 nan 8.270 nan 0.000 0.436 397 Y N 1.226 121.541 120.300 0.024 0.000 2.224 397 Y HA -0.151 4.399 4.550 0.000 0.000 0.289 397 Y C 2.111 178.040 175.900 0.049 0.000 1.146 397 Y CA 1.332 59.452 58.100 0.033 0.000 1.182 397 Y CB 0.003 38.476 38.460 0.022 0.000 0.983 397 Y HN -0.131 nan 8.280 nan 0.000 0.524 398 R N 0.137 120.577 120.500 -0.100 0.000 2.189 398 R HA -0.108 4.232 4.340 0.000 0.000 0.223 398 R C 1.660 177.875 176.300 -0.142 0.000 1.092 398 R CA 1.206 57.198 56.100 -0.181 0.000 0.989 398 R CB 0.039 30.334 30.300 -0.008 0.000 0.876 398 R HN 0.385 nan 8.270 nan 0.000 0.457 399 E N -0.444 119.716 120.200 -0.066 0.000 2.371 399 E HA -0.051 4.299 4.350 0.000 0.000 0.194 399 E C 1.390 178.018 176.600 0.047 0.000 1.012 399 E CA 0.747 57.144 56.400 -0.004 0.000 0.860 399 E CB 0.559 30.275 29.700 0.026 0.000 0.811 399 E HN 0.172 nan 8.360 nan 0.000 0.502 400 V N 0.092 120.006 119.914 0.000 0.000 3.605 400 V HA 0.199 4.319 4.120 0.000 0.000 0.284 400 V C 2.054 178.179 176.094 0.051 0.000 1.386 400 V CA 0.666 63.060 62.300 0.157 0.000 1.053 400 V CB 0.296 32.176 31.823 0.095 0.000 0.857 400 V HN 0.100 nan 8.190 nan 0.000 0.436 401 A N 1.261 123.916 122.820 -0.277 0.000 1.958 401 A HA -0.216 4.104 4.320 0.000 0.000 0.221 401 A C 2.381 179.886 177.584 -0.130 0.000 1.178 401 A CA 2.384 54.174 52.037 -0.412 0.000 0.642 401 A CB -0.559 18.074 19.000 -0.611 0.000 0.816 401 A HN 0.630 nan 8.150 nan 0.000 0.453 402 A N -1.418 121.324 122.820 -0.130 0.000 1.972 402 A HA 0.016 4.336 4.320 0.000 0.000 0.219 402 A C 1.885 179.385 177.584 -0.140 0.000 1.169 402 A CA 1.312 53.250 52.037 -0.165 0.000 0.635 402 A CB -0.736 18.090 19.000 -0.288 0.000 0.810 402 A HN 0.511 nan 8.150 nan 0.000 0.446 403 F N -0.010 119.943 119.950 0.004 0.000 2.451 403 F HA -0.029 4.498 4.527 0.000 0.000 0.299 403 F C 2.570 178.401 175.800 0.051 0.000 1.101 403 F CA 0.611 58.634 58.000 0.039 0.000 1.436 403 F CB -0.064 38.949 39.000 0.021 0.000 1.074 403 F HN 0.284 nan 8.300 nan 0.000 0.553 404 A N -0.434 122.499 122.820 0.190 0.000 1.897 404 A HA -0.221 4.099 4.320 0.000 0.000 0.215 404 A C 2.099 179.738 177.584 0.092 0.000 1.181 404 A CA 1.397 53.517 52.037 0.138 0.000 0.620 404 A CB -0.689 18.401 19.000 0.149 0.000 0.821 404 A HN 0.399 nan 8.150 nan 0.000 0.443 405 Q N -2.659 117.193 119.800 0.087 0.000 2.297 405 Q HA 0.084 4.424 4.340 0.000 0.000 0.204 405 Q C -0.836 175.227 176.000 0.105 0.000 0.962 405 Q CA 0.606 56.453 55.803 0.074 0.000 0.879 405 Q CB 0.074 28.860 28.738 0.080 0.000 0.947 405 Q HN 0.553 nan 8.270 nan 0.000 0.462 406 F N -0.860 119.103 119.950 0.022 0.000 3.361 406 F HA 0.422 4.949 4.527 0.000 0.000 0.390 406 F C -0.818 175.032 175.800 0.082 0.000 1.251 406 F CA -0.559 57.460 58.000 0.031 0.000 1.260 406 F CB 1.872 40.871 39.000 -0.002 0.000 1.847 406 F HN -0.092 nan 8.300 nan 0.000 0.673 407 G N 1.715 110.660 108.800 0.241 0.000 2.020 407 G HA2 0.339 4.299 3.960 0.000 0.000 0.304 407 G HA3 0.339 4.299 3.960 0.000 0.000 0.304 407 G C -0.312 174.663 174.900 0.125 0.000 1.500 407 G CA -0.024 45.234 45.100 0.262 0.000 1.120 407 G HN 0.614 nan 8.290 nan 0.000 0.555 408 S N 0.906 116.666 115.700 0.100 0.000 2.541 408 S HA 0.115 4.585 4.470 0.000 0.000 0.219 408 S C 0.774 175.396 174.600 0.036 0.000 1.025 408 S CA 0.646 58.872 58.200 0.042 0.000 0.917 408 S CB 0.215 63.431 63.200 0.026 0.000 0.859 408 S HN 0.235 nan 8.310 nan 0.000 0.584 409 D N 2.290 122.716 120.400 0.044 0.000 2.841 409 D HA 0.358 4.998 4.640 0.000 0.000 0.244 409 D C -0.584 175.720 176.300 0.006 0.000 1.228 409 D CA 0.178 54.192 54.000 0.023 0.000 0.872 409 D CB -0.566 40.251 40.800 0.028 0.000 1.082 409 D HN 0.402 nan 8.370 nan 0.000 0.457 410 L N 1.197 122.418 121.223 -0.003 0.000 2.322 410 L HA 0.214 4.554 4.340 0.000 0.000 0.279 410 L C 0.672 177.516 176.870 -0.044 0.000 1.036 410 L CA -1.258 53.557 54.840 -0.043 0.000 0.807 410 L CB 1.137 43.156 42.059 -0.067 0.000 1.226 410 L HN 0.045 nan 8.230 nan 0.000 0.433 411 D N 2.078 122.442 120.400 -0.061 0.000 2.449 411 D HA -0.055 4.585 4.640 0.000 0.000 0.236 411 D C 0.916 177.191 176.300 -0.043 0.000 1.149 411 D CA 0.023 53.994 54.000 -0.049 0.000 0.878 411 D CB 1.289 42.056 40.800 -0.055 0.000 1.198 411 D HN 0.601 nan 8.370 nan 0.000 0.446 412 A N 2.205 125.005 122.820 -0.033 0.000 2.076 412 A HA -0.009 4.311 4.320 0.000 0.000 0.220 412 A C 2.195 179.761 177.584 -0.030 0.000 1.160 412 A CA 2.002 54.022 52.037 -0.028 0.000 0.653 412 A CB -0.750 18.235 19.000 -0.026 0.000 0.801 412 A HN 0.753 nan 8.150 nan 0.000 0.455 413 A N -0.111 122.688 122.820 -0.035 0.000 1.877 413 A HA -0.107 4.213 4.320 0.000 0.000 0.216 413 A C 2.432 179.997 177.584 -0.031 0.000 1.186 413 A CA 2.410 54.426 52.037 -0.034 0.000 0.620 413 A CB -1.340 17.637 19.000 -0.038 0.000 0.822 413 A HN 0.784 nan 8.150 nan 0.000 0.443 414 T N -2.820 111.706 114.554 -0.047 0.000 2.995 414 T HA -0.101 4.249 4.350 0.000 0.000 0.269 414 T C 1.804 176.500 174.700 -0.007 0.000 1.091 414 T CA 1.476 63.549 62.100 -0.044 0.000 1.128 414 T CB -0.163 68.635 68.868 -0.117 0.000 0.891 414 T HN 0.403 nan 8.240 nan 0.000 0.492 415 Q N 1.401 121.194 119.800 -0.011 0.000 2.172 415 Q HA -0.074 4.266 4.340 0.000 0.000 0.200 415 Q C 2.351 178.355 176.000 0.007 0.000 0.964 415 Q CA 1.696 57.502 55.803 0.006 0.000 0.855 415 Q CB -0.486 28.249 28.738 -0.006 0.000 0.918 415 Q HN 0.626 nan 8.270 nan 0.000 0.444 416 Q N -0.008 119.789 119.800 -0.006 0.000 2.079 416 Q HA -0.077 4.263 4.340 0.000 0.000 0.200 416 Q C 1.779 177.780 176.000 0.001 0.000 0.974 416 Q CA 1.762 57.556 55.803 -0.015 0.000 0.840 416 Q CB -0.398 28.324 28.738 -0.027 0.000 0.898 416 Q HN 0.566 nan 8.270 nan 0.000 0.430 417 L N -0.342 120.899 121.223 0.030 0.000 2.093 417 L HA -0.121 4.220 4.340 0.000 0.000 0.208 417 L C 2.416 179.382 176.870 0.160 0.000 1.085 417 L CA 0.902 55.789 54.840 0.078 0.000 0.755 417 L CB -0.505 41.607 42.059 0.089 0.000 0.904 417 L HN 0.258 nan 8.230 nan 0.000 0.435 418 L N -1.058 120.267 121.223 0.171 0.000 2.072 418 L HA -0.134 4.206 4.340 0.000 0.000 0.205 418 L C 2.745 179.663 176.870 0.081 0.000 1.079 418 L CA 0.854 55.850 54.840 0.261 0.000 0.752 418 L CB -0.390 41.793 42.059 0.207 0.000 0.906 418 L HN 0.151 nan 8.230 nan 0.000 0.436 419 S N -0.669 115.040 115.700 0.016 0.000 2.356 419 S HA -0.130 4.340 4.470 0.000 0.000 0.223 419 S C 2.120 176.656 174.600 -0.107 0.000 1.032 419 S CA 0.932 59.105 58.200 -0.045 0.000 1.005 419 S CB -0.166 63.008 63.200 -0.042 0.000 0.867 419 S HN 0.273 nan 8.310 nan 0.000 0.449 420 R N 0.730 121.169 120.500 -0.103 0.000 2.080 420 R HA -0.069 4.271 4.340 0.000 0.000 0.236 420 R C 2.571 178.726 176.300 -0.242 0.000 1.137 420 R CA 1.572 57.588 56.100 -0.139 0.000 0.943 420 R CB -1.337 28.905 30.300 -0.095 0.000 0.846 420 R HN 0.502 nan 8.270 nan 0.000 0.431 421 G N 0.640 109.217 108.800 -0.371 0.000 2.459 421 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 421 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 421 G C 1.504 175.787 174.900 -1.029 0.000 1.183 421 G CA 1.507 46.033 45.100 -0.957 0.000 0.776 421 G HN 0.341 nan 8.290 nan 0.000 0.552 422 V N -1.034 118.432 119.914 -0.747 0.000 2.594 422 V HA -0.043 4.077 4.120 0.000 0.000 0.253 422 V C 2.561 178.522 176.094 -0.221 0.000 1.069 422 V CA 2.138 64.225 62.300 -0.355 0.000 1.082 422 V CB -0.592 31.162 31.823 -0.115 0.000 0.680 422 V HN 0.318 nan 8.190 nan 0.000 0.469 423 R N 0.061 120.432 120.500 -0.215 0.000 2.080 423 R HA 0.281 4.621 4.340 0.000 0.000 0.222 423 R C 2.380 178.601 176.300 -0.131 0.000 1.107 423 R CA 1.369 57.380 56.100 -0.148 0.000 0.980 423 R CB -0.417 29.796 30.300 -0.146 0.000 0.879 423 R HN 0.449 nan 8.270 nan 0.000 0.439 424 L N 0.107 121.235 121.223 -0.158 0.000 2.083 424 L HA -0.164 4.176 4.340 0.000 0.000 0.209 424 L C 2.167 178.983 176.870 -0.089 0.000 1.083 424 L CA 1.268 56.041 54.840 -0.112 0.000 0.752 424 L CB -0.767 41.224 42.059 -0.114 0.000 0.899 424 L HN 0.236 nan 8.230 nan 0.000 0.433 425 T N -0.774 113.701 114.554 -0.131 0.000 2.720 425 T HA -0.154 4.196 4.350 0.000 0.000 0.268 425 T C 1.783 176.459 174.700 -0.040 0.000 1.037 425 T CA 1.185 63.241 62.100 -0.074 0.000 1.144 425 T CB -0.128 68.688 68.868 -0.087 0.000 0.864 425 T HN 0.309 nan 8.240 nan 0.000 0.444 426 E N 1.100 121.272 120.200 -0.046 0.000 2.204 426 E HA -0.009 4.341 4.350 0.000 0.000 0.195 426 E C 2.151 178.749 176.600 -0.003 0.000 0.990 426 E CA 0.645 57.034 56.400 -0.019 0.000 0.821 426 E CB -0.346 29.344 29.700 -0.016 0.000 0.750 426 E HN 0.496 nan 8.360 nan 0.000 0.477 427 L N 0.255 121.475 121.223 -0.005 0.000 2.376 427 L HA -0.046 4.294 4.340 0.000 0.000 0.219 427 L C 2.167 179.045 176.870 0.014 0.000 1.133 427 L CA 0.330 55.180 54.840 0.017 0.000 0.816 427 L CB -0.189 41.882 42.059 0.020 0.000 0.933 427 L HN 0.064 nan 8.230 nan 0.000 0.449 428 L N -0.715 120.509 121.223 0.002 0.000 2.492 428 L HA 0.014 4.354 4.340 0.000 0.000 0.223 428 L C 0.786 177.651 176.870 -0.008 0.000 1.132 428 L CA 0.240 55.081 54.840 0.002 0.000 0.850 428 L CB -0.257 41.804 42.059 0.005 0.000 0.966 428 L HN 0.126 nan 8.230 nan 0.000 0.454 429 K N 1.259 121.651 120.400 -0.012 0.000 2.270 429 K HA 0.280 4.600 4.320 0.000 0.000 0.276 429 K C -0.222 176.363 176.600 -0.025 0.000 1.023 429 K CA 0.151 56.421 56.287 -0.029 0.000 0.955 429 K CB 0.878 33.360 32.500 -0.030 0.000 0.975 429 K HN -0.027 nan 8.250 nan 0.000 0.471 430 Q N 0.591 120.365 119.800 -0.044 0.000 2.327 430 Q HA 0.286 4.626 4.340 0.000 0.000 0.265 430 Q C -0.805 175.157 176.000 -0.064 0.000 0.993 430 Q CA -0.580 55.200 55.803 -0.040 0.000 0.885 430 Q CB 1.825 30.544 28.738 -0.032 0.000 1.379 430 Q HN 0.829 nan 8.270 nan 0.000 0.408 431 G N 1.670 110.439 108.800 -0.052 0.000 2.634 431 G HA2 0.124 4.084 3.960 0.000 0.000 0.255 431 G HA3 0.124 4.084 3.960 0.000 0.000 0.255 431 G C -0.563 174.276 174.900 -0.101 0.000 1.205 431 G CA -0.156 44.905 45.100 -0.065 0.000 0.884 431 G HN 0.609 nan 8.290 nan 0.000 0.549 432 Q N -1.217 118.486 119.800 -0.161 0.000 2.312 432 Q HA 0.303 4.643 4.340 0.000 0.000 0.236 432 Q C -0.372 175.473 176.000 -0.258 0.000 0.965 432 Q CA -0.423 55.152 55.803 -0.380 0.000 0.894 432 Q CB 0.359 28.690 28.738 -0.679 0.000 1.225 432 Q HN 0.628 nan 8.270 nan 0.000 0.478 433 Y N -0.541 119.756 120.300 -0.006 0.000 4.409 433 Y HA -0.280 4.270 4.550 0.000 0.000 0.228 433 Y C -0.086 175.805 175.900 -0.015 0.000 1.108 433 Y CA 0.506 58.599 58.100 -0.012 0.000 1.955 433 Y CB -2.280 36.171 38.460 -0.015 0.000 1.615 433 Y HN 0.472 nan 8.280 nan 0.000 0.665 434 S N -1.744 113.992 115.700 0.059 0.000 2.204 434 S HA 0.510 4.980 4.470 0.000 0.000 0.178 434 S C -2.510 172.093 174.600 0.006 0.000 1.493 434 S CA -1.256 56.964 58.200 0.033 0.000 1.266 434 S CB 1.043 64.256 63.200 0.022 0.000 1.232 434 S HN -0.020 nan 8.310 nan 0.000 0.406 435 P HA 0.294 nan 4.420 nan 0.000 0.271 435 P C -0.473 176.814 177.300 -0.021 0.000 1.218 435 P CA -0.074 63.024 63.100 -0.004 0.000 0.780 435 P CB 0.433 32.135 31.700 0.002 0.000 0.901 436 M N 1.487 121.077 119.600 -0.017 0.000 2.472 436 M HA 0.527 5.007 4.480 0.000 0.000 0.331 436 M C 0.289 176.572 176.300 -0.028 0.000 1.170 436 M CA -0.937 54.348 55.300 -0.025 0.000 1.009 436 M CB 1.839 34.431 32.600 -0.013 0.000 1.672 436 M HN 0.295 nan 8.290 nan 0.000 0.453 437 A N 1.766 124.557 122.820 -0.049 0.000 2.477 437 A HA 0.158 4.478 4.320 0.000 0.000 0.246 437 A C 1.007 178.590 177.584 -0.002 0.000 1.078 437 A CA -0.356 51.655 52.037 -0.043 0.000 0.770 437 A CB -0.010 18.949 19.000 -0.069 0.000 1.011 437 A HN 0.962 nan 8.150 nan 0.000 0.494 438 I N 1.600 122.192 120.570 0.037 0.000 2.185 438 I HA -0.293 3.877 4.170 0.000 0.000 0.246 438 I C 1.996 178.123 176.117 0.017 0.000 1.088 438 I CA 2.414 63.737 61.300 0.040 0.000 1.347 438 I CB -0.279 37.757 38.000 0.059 0.000 1.041 438 I HN 0.846 nan 8.210 nan 0.000 0.415 439 E N 0.204 120.404 120.200 0.000 0.000 2.153 439 E HA -0.222 4.128 4.350 0.000 0.000 0.194 439 E C 2.087 178.668 176.600 -0.032 0.000 0.988 439 E CA 1.580 57.968 56.400 -0.021 0.000 0.811 439 E CB -0.367 29.309 29.700 -0.039 0.000 0.746 439 E HN 0.613 nan 8.360 nan 0.000 0.466 440 E N 0.731 120.909 120.200 -0.037 0.000 2.107 440 E HA -0.163 4.187 4.350 0.000 0.000 0.191 440 E C 2.140 178.740 176.600 -0.001 0.000 0.982 440 E CA 0.869 57.241 56.400 -0.046 0.000 0.809 440 E CB -0.054 29.611 29.700 -0.059 0.000 0.756 440 E HN 0.347 nan 8.360 nan 0.000 0.459 441 Q N 0.373 120.181 119.800 0.014 0.000 2.020 441 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 441 Q C 2.596 178.634 176.000 0.063 0.000 0.982 441 Q CA 1.974 57.799 55.803 0.037 0.000 0.838 441 Q CB -0.366 28.392 28.738 0.033 0.000 0.899 441 Q HN 0.333 nan 8.270 nan 0.000 0.423 442 V N -1.869 118.078 119.914 0.056 0.000 2.759 442 V HA -0.059 4.061 4.120 0.000 0.000 0.256 442 V C 2.024 178.194 176.094 0.126 0.000 1.080 442 V CA 1.550 63.901 62.300 0.084 0.000 1.101 442 V CB -0.872 30.988 31.823 0.062 0.000 0.698 442 V HN 0.279 nan 8.190 nan 0.000 0.477 443 A N 1.322 124.198 122.820 0.094 0.000 1.897 443 A HA -0.012 4.308 4.320 0.000 0.000 0.215 443 A C 2.423 180.212 177.584 0.342 0.000 1.181 443 A CA 2.154 54.283 52.037 0.153 0.000 0.620 443 A CB -0.774 18.243 19.000 0.029 0.000 0.821 443 A HN 1.150 nan 8.150 nan 0.000 0.443 444 V N -2.121 117.952 119.914 0.264 0.000 2.591 444 V HA -0.089 4.031 4.120 0.000 0.000 0.249 444 V C 2.028 178.236 176.094 0.190 0.000 1.053 444 V CA 1.357 63.819 62.300 0.270 0.000 1.068 444 V CB -0.748 31.197 31.823 0.203 0.000 0.689 444 V HN 0.361 nan 8.190 nan 0.000 0.462 445 I N -0.043 120.623 120.570 0.160 0.000 2.315 445 I HA -0.137 4.033 4.170 0.000 0.000 0.248 445 I C 2.541 178.744 176.117 0.142 0.000 1.117 445 I CA 1.988 63.359 61.300 0.118 0.000 1.404 445 I CB -1.454 36.601 38.000 0.093 0.000 1.071 445 I HN 0.485 nan 8.210 nan 0.000 0.419 446 Y N 2.269 122.611 120.300 0.070 0.000 2.165 446 Y HA -0.268 4.282 4.550 0.000 0.000 0.286 446 Y C 2.647 178.608 175.900 0.101 0.000 1.155 446 Y CA 2.135 60.283 58.100 0.080 0.000 1.164 446 Y CB -0.146 38.368 38.460 0.090 0.000 0.978 446 Y HN 0.121 nan 8.280 nan 0.000 0.513 447 A N 0.122 123.109 122.820 0.279 0.000 1.908 447 A HA -0.159 4.161 4.320 0.000 0.000 0.218 447 A C 2.440 180.058 177.584 0.056 0.000 1.181 447 A CA 1.922 54.047 52.037 0.147 0.000 0.627 447 A CB -1.718 17.263 19.000 -0.032 0.000 0.818 447 A HN 0.614 nan 8.150 nan 0.000 0.445 448 G N -1.267 107.538 108.800 0.008 0.000 2.394 448 G HA2 -0.056 3.904 3.960 0.000 0.000 0.214 448 G HA3 -0.056 3.904 3.960 0.000 0.000 0.214 448 G C 1.577 176.421 174.900 -0.094 0.000 1.176 448 G CA 1.087 46.152 45.100 -0.059 0.000 0.786 448 G HN 0.542 nan 8.290 nan 0.000 0.533 449 V N 0.499 120.360 119.914 -0.088 0.000 2.871 449 V HA 0.082 4.202 4.120 0.000 0.000 0.256 449 V C 2.436 178.412 176.094 -0.198 0.000 1.082 449 V CA 1.099 63.326 62.300 -0.122 0.000 1.105 449 V CB -0.332 31.439 31.823 -0.086 0.000 0.713 449 V HN 0.179 nan 8.190 nan 0.000 0.473 450 R N 0.329 120.670 120.500 -0.266 0.000 2.297 450 R HA 0.286 4.626 4.340 0.000 0.000 0.197 450 R C 1.606 177.619 176.300 -0.478 0.000 0.943 450 R CA 0.694 56.573 56.100 -0.368 0.000 1.038 450 R CB -0.402 29.641 30.300 -0.428 0.000 0.957 450 R HN 0.652 nan 8.270 nan 0.000 0.484 451 G N 0.446 109.028 108.800 -0.363 0.000 2.130 451 G HA2 -0.287 3.673 3.960 0.000 0.000 0.216 451 G HA3 -0.287 3.673 3.960 0.000 0.000 0.216 451 G C 0.248 174.898 174.900 -0.416 0.000 0.999 451 G CA -0.101 44.782 45.100 -0.362 0.000 0.686 451 G HN 0.407 nan 8.290 nan 0.000 0.515 452 Y N -0.158 120.018 120.300 -0.206 0.000 2.529 452 Y HA 0.420 4.970 4.550 0.000 0.000 0.290 452 Y C 2.344 178.010 175.900 -0.389 0.000 1.177 452 Y CA 0.684 58.641 58.100 -0.239 0.000 1.305 452 Y CB 0.250 38.591 38.460 -0.199 0.000 1.047 452 Y HN 0.384 nan 8.280 nan 0.000 0.522 453 L N -1.366 119.698 121.223 -0.265 0.000 2.817 453 L HA 0.110 4.450 4.340 0.000 0.000 0.248 453 L C 1.001 177.724 176.870 -0.245 0.000 1.133 453 L CA 0.006 54.628 54.840 -0.364 0.000 0.935 453 L CB 0.145 42.000 42.059 -0.341 0.000 1.266 453 L HN 0.003 nan 8.230 nan 0.000 0.535 454 D N 1.482 121.763 120.400 -0.199 0.000 2.218 454 D HA -0.141 4.499 4.640 0.000 0.000 0.204 454 D C 1.647 177.873 176.300 -0.123 0.000 0.976 454 D CA 1.312 55.220 54.000 -0.153 0.000 0.853 454 D CB 0.188 40.898 40.800 -0.150 0.000 0.939 454 D HN 0.262 nan 8.370 nan 0.000 0.481 455 K N -0.537 119.789 120.400 -0.124 0.000 2.358 455 K HA 0.113 4.433 4.320 0.000 0.000 0.197 455 K C 0.105 176.658 176.600 -0.078 0.000 1.025 455 K CA -0.400 55.835 56.287 -0.086 0.000 1.104 455 K CB 0.828 33.287 32.500 -0.068 0.000 0.855 455 K HN -0.020 nan 8.250 nan 0.000 0.531 456 L N 1.806 122.958 121.223 -0.119 0.000 2.325 456 L HA 0.180 4.520 4.340 0.000 0.000 0.279 456 L C -0.034 176.798 176.870 -0.064 0.000 1.054 456 L CA -0.450 54.329 54.840 -0.102 0.000 0.804 456 L CB 1.283 43.208 42.059 -0.224 0.000 1.200 456 L HN 0.033 nan 8.230 nan 0.000 0.436 457 E N 5.257 125.451 120.200 -0.010 0.000 2.452 457 E HA -0.002 4.348 4.350 0.000 0.000 0.261 457 E C -1.767 174.831 176.600 -0.003 0.000 0.987 457 E CA -0.910 55.492 56.400 0.004 0.000 0.926 457 E CB 0.953 30.674 29.700 0.035 0.000 0.934 457 E HN 0.470 nan 8.360 nan 0.000 0.452 458 P HA -0.104 nan 4.420 nan 0.000 0.218 458 P C 0.781 178.089 177.300 0.013 0.000 1.149 458 P CA 0.965 64.057 63.100 -0.014 0.000 0.817 458 P CB 0.287 31.979 31.700 -0.014 0.000 0.785 459 S N -0.905 114.813 115.700 0.029 0.000 2.474 459 S HA -0.065 4.405 4.470 0.000 0.000 0.235 459 S C 1.527 176.175 174.600 0.080 0.000 0.997 459 S CA 1.164 59.392 58.200 0.046 0.000 0.949 459 S CB -0.404 62.821 63.200 0.042 0.000 0.766 459 S HN 0.098 nan 8.310 nan 0.000 0.517 460 K N 0.836 121.296 120.400 0.101 0.000 2.374 460 K HA 0.324 4.644 4.320 0.000 0.000 0.196 460 K C 1.301 178.021 176.600 0.201 0.000 1.023 460 K CA -0.012 56.389 56.287 0.189 0.000 1.103 460 K CB -0.053 32.596 32.500 0.249 0.000 0.848 460 K HN 0.211 nan 8.250 nan 0.000 0.528 461 I N 0.535 121.166 120.570 0.102 0.000 2.252 461 I HA -0.207 3.963 4.170 0.000 0.000 0.245 461 I C 1.500 177.720 176.117 0.171 0.000 1.102 461 I CA 1.487 62.837 61.300 0.082 0.000 1.385 461 I CB -1.071 36.931 38.000 0.004 0.000 1.064 461 I HN 0.096 nan 8.210 nan 0.000 0.414 462 T N 0.599 115.237 114.554 0.140 0.000 2.812 462 T HA -0.159 4.191 4.350 0.000 0.000 0.264 462 T C 1.998 176.806 174.700 0.179 0.000 1.042 462 T CA 1.151 63.331 62.100 0.133 0.000 1.140 462 T CB -0.029 68.889 68.868 0.083 0.000 0.870 462 T HN 0.262 nan 8.240 nan 0.000 0.445 463 K N 0.178 120.714 120.400 0.227 0.000 2.032 463 K HA -0.123 4.197 4.320 0.000 0.000 0.209 463 K C 2.071 178.931 176.600 0.433 0.000 1.048 463 K CA 1.393 57.859 56.287 0.298 0.000 0.927 463 K CB -0.322 32.374 32.500 0.326 0.000 0.712 463 K HN 0.338 nan 8.250 nan 0.000 0.441 464 F N 2.032 122.159 119.950 0.294 0.000 2.102 464 F HA -0.206 4.321 4.527 0.000 0.000 0.298 464 F C 2.346 178.237 175.800 0.151 0.000 1.105 464 F CA 2.104 60.159 58.000 0.093 0.000 1.239 464 F CB -0.293 38.480 39.000 -0.379 0.000 0.991 464 F HN 0.201 nan 8.300 nan 0.000 0.474 465 E N 0.266 120.620 120.200 0.256 0.000 2.038 465 E HA -0.299 4.051 4.350 0.000 0.000 0.195 465 E C 1.916 178.543 176.600 0.046 0.000 1.000 465 E CA 1.877 58.372 56.400 0.159 0.000 0.803 465 E CB -0.301 29.504 29.700 0.175 0.000 0.750 465 E HN 0.414 nan 8.360 nan 0.000 0.448 466 N N 0.511 119.256 118.700 0.074 0.000 2.084 466 N HA -0.149 4.591 4.740 0.000 0.000 0.190 466 N C 1.617 177.139 175.510 0.019 0.000 1.030 466 N CA 1.634 54.711 53.050 0.044 0.000 0.849 466 N CB -0.604 37.926 38.487 0.073 0.000 1.012 466 N HN 0.334 nan 8.380 nan 0.000 0.423 467 A N 0.230 123.106 122.820 0.094 0.000 1.873 467 A HA -0.106 4.214 4.320 0.000 0.000 0.215 467 A C 2.119 179.617 177.584 -0.144 0.000 1.186 467 A CA 1.037 53.178 52.037 0.173 0.000 0.616 467 A CB -1.017 18.310 19.000 0.544 0.000 0.823 467 A HN 0.314 nan 8.150 nan 0.000 0.442 468 F N -0.006 119.490 119.950 -0.757 0.000 2.171 468 F HA -0.123 4.404 4.527 0.000 0.000 0.300 468 F C 1.772 177.190 175.800 -0.638 0.000 1.090 468 F CA 1.486 58.669 58.000 -1.362 0.000 1.293 468 F CB -0.260 37.874 39.000 -1.442 0.000 1.013 468 F HN 0.176 nan 8.300 nan 0.000 0.486 469 L N -0.172 120.768 121.223 -0.473 0.000 2.072 469 L HA -0.123 4.217 4.340 0.000 0.000 0.205 469 L C 2.530 179.203 176.870 -0.327 0.000 1.079 469 L CA 1.863 56.458 54.840 -0.409 0.000 0.752 469 L CB -1.210 40.739 42.059 -0.182 0.000 0.906 469 L HN 0.087 nan 8.230 nan 0.000 0.436 470 S N -1.440 114.137 115.700 -0.206 0.000 2.370 470 S HA -0.283 4.187 4.470 0.000 0.000 0.226 470 S C 1.950 176.478 174.600 -0.120 0.000 1.033 470 S CA 1.504 59.634 58.200 -0.118 0.000 1.011 470 S CB -0.594 62.589 63.200 -0.029 0.000 0.852 470 S HN 0.704 nan 8.310 nan 0.000 0.457 471 H N 1.914 120.830 119.070 -0.257 0.000 2.321 471 H HA -0.061 4.495 4.556 0.000 0.000 0.300 471 H C 2.008 177.199 175.328 -0.228 0.000 1.087 471 H CA 2.056 57.984 56.048 -0.199 0.000 1.319 471 H CB -0.521 29.113 29.762 -0.212 0.000 1.379 471 H HN 0.243 nan 8.280 nan 0.000 0.501 472 V N -1.214 118.305 119.914 -0.658 0.000 2.548 472 V HA -0.082 4.038 4.120 0.000 0.000 0.249 472 V C 2.438 178.322 176.094 -0.350 0.000 1.055 472 V CA 1.762 63.709 62.300 -0.589 0.000 1.065 472 V CB -0.752 30.641 31.823 -0.717 0.000 0.681 472 V HN 0.419 nan 8.190 nan 0.000 0.462 473 I N 0.859 121.250 120.570 -0.299 0.000 2.286 473 I HA -0.153 4.017 4.170 0.000 0.000 0.245 473 I C 2.896 178.912 176.117 -0.169 0.000 1.104 473 I CA 1.763 62.943 61.300 -0.200 0.000 1.397 473 I CB -0.351 37.551 38.000 -0.164 0.000 1.072 473 I HN 0.385 nan 8.210 nan 0.000 0.417 474 S N -0.030 115.569 115.700 -0.168 0.000 2.368 474 S HA -0.172 4.298 4.470 0.000 0.000 0.224 474 S C 1.740 176.244 174.600 -0.160 0.000 1.029 474 S CA 1.570 59.693 58.200 -0.128 0.000 0.988 474 S CB 0.032 63.185 63.200 -0.078 0.000 0.838 474 S HN 0.475 nan 8.310 nan 0.000 0.462 475 Q N -1.538 118.113 119.800 -0.248 0.000 2.103 475 Q HA 0.235 4.575 4.340 0.000 0.000 0.219 475 Q C -0.639 175.034 176.000 -0.545 0.000 0.784 475 Q CA 0.003 55.604 55.803 -0.338 0.000 1.014 475 Q CB 0.853 29.404 28.738 -0.311 0.000 1.183 475 Q HN 0.582 nan 8.270 nan 0.000 0.469 476 H N -0.299 118.622 119.070 -0.249 0.000 2.790 476 H HA 0.179 4.735 4.556 0.000 0.000 0.232 476 H C 0.843 176.063 175.328 -0.179 0.000 1.313 476 H CA -0.154 55.765 56.048 -0.214 0.000 1.011 476 H CB 0.786 30.385 29.762 -0.271 0.000 2.105 476 H HN 0.021 nan 8.280 nan 0.000 0.580 477 Q N 0.493 120.245 119.800 -0.080 0.000 2.135 477 Q HA -0.125 4.215 4.340 0.000 0.000 0.204 477 Q C 2.324 178.293 176.000 -0.052 0.000 0.981 477 Q CA 1.332 57.089 55.803 -0.075 0.000 0.856 477 Q CB -0.013 28.677 28.738 -0.080 0.000 0.902 477 Q HN 0.619 nan 8.270 nan 0.000 0.425 478 A N 1.289 124.086 122.820 -0.038 0.000 1.940 478 A HA -0.158 4.162 4.320 0.000 0.000 0.219 478 A C 2.031 179.601 177.584 -0.023 0.000 1.176 478 A CA 1.108 53.130 52.037 -0.025 0.000 0.631 478 A CB -0.626 18.365 19.000 -0.016 0.000 0.814 478 A HN 0.362 nan 8.150 nan 0.000 0.446 479 L N -0.417 120.796 121.223 -0.016 0.000 2.072 479 L HA -0.051 4.289 4.340 0.000 0.000 0.205 479 L C 2.260 179.087 176.870 -0.072 0.000 1.079 479 L CA 1.681 56.492 54.840 -0.049 0.000 0.752 479 L CB -0.731 41.279 42.059 -0.081 0.000 0.906 479 L HN 0.443 nan 8.230 nan 0.000 0.436 480 L N 0.068 121.245 121.223 -0.077 0.000 2.093 480 L HA -0.145 4.195 4.340 0.000 0.000 0.208 480 L C 3.031 179.865 176.870 -0.059 0.000 1.085 480 L CA 1.158 55.949 54.840 -0.083 0.000 0.755 480 L CB -0.862 41.138 42.059 -0.099 0.000 0.904 480 L HN 0.391 nan 8.230 nan 0.000 0.435 481 S N 0.598 116.268 115.700 -0.050 0.000 2.356 481 S HA -0.225 4.245 4.470 0.000 0.000 0.223 481 S C 2.141 176.723 174.600 -0.030 0.000 1.032 481 S CA 1.614 59.791 58.200 -0.038 0.000 1.005 481 S CB -0.233 nan 63.200 nan 0.000 0.867 481 S HN 0.254 nan 8.310 nan 0.000 0.449 482 K N 0.307 120.688 120.400 -0.031 0.000 2.026 482 K HA 0.070 4.390 4.320 0.000 0.000 0.208 482 K C 1.888 178.473 176.600 -0.026 0.000 1.048 482 K CA 1.307 57.578 56.287 -0.025 0.000 0.929 482 K CB -0.352 32.133 32.500 -0.025 0.000 0.713 482 K HN 0.475 nan 8.250 nan 0.000 0.439 483 I N 0.737 121.286 120.570 -0.035 0.000 2.208 483 I HA -0.334 3.836 4.170 0.000 0.000 0.245 483 I C 2.662 178.767 176.117 -0.020 0.000 1.097 483 I CA 1.173 62.454 61.300 -0.033 0.000 1.363 483 I CB -0.185 37.785 38.000 -0.051 0.000 1.051 483 I HN 0.191 nan 8.210 nan 0.000 0.413 484 R N 0.420 120.909 120.500 -0.019 0.000 2.075 484 R HA -0.179 4.161 4.340 0.000 0.000 0.230 484 R C 2.321 178.620 176.300 -0.002 0.000 1.140 484 R CA 2.453 58.550 56.100 -0.005 0.000 0.928 484 R CB -0.508 29.789 30.300 -0.004 0.000 0.834 484 R HN 0.242 nan 8.270 nan 0.000 0.429 485 T N 1.198 115.748 114.554 -0.007 0.000 2.635 485 T HA -0.144 4.206 4.350 0.000 0.000 0.267 485 T C 1.226 175.922 174.700 -0.007 0.000 1.040 485 T CA 1.847 63.944 62.100 -0.006 0.000 1.156 485 T CB -0.419 68.444 68.868 -0.008 0.000 0.863 485 T HN 0.370 nan 8.240 nan 0.000 0.430 486 D N 0.252 120.647 120.400 -0.009 0.000 2.269 486 D HA 0.127 4.767 4.640 0.000 0.000 0.208 486 D C 1.821 178.117 176.300 -0.007 0.000 0.963 486 D CA 1.060 55.055 54.000 -0.007 0.000 0.864 486 D CB -0.613 40.183 40.800 -0.008 0.000 0.936 486 D HN 0.541 nan 8.370 nan 0.000 0.505 487 G N 0.945 109.740 108.800 -0.007 0.000 2.168 487 G HA2 -0.332 3.628 3.960 0.000 0.000 0.263 487 G HA3 -0.332 3.628 3.960 0.000 0.000 0.263 487 G C 0.283 175.182 174.900 -0.002 0.000 0.977 487 G CA 1.056 46.153 45.100 -0.006 0.000 0.659 487 G HN 0.564 nan 8.290 nan 0.000 0.533 488 K N -1.129 119.270 120.400 -0.001 0.000 2.495 488 K HA 0.807 5.127 4.320 0.000 0.000 0.268 488 K C -0.696 175.906 176.600 0.003 0.000 1.008 488 K CA -1.450 54.840 56.287 0.006 0.000 0.882 488 K CB 1.594 34.098 32.500 0.007 0.000 1.443 488 K HN 0.091 nan 8.250 nan 0.000 0.447 489 I N 2.670 123.248 120.570 0.014 0.000 2.306 489 I HA 0.125 4.295 4.170 0.000 0.000 0.288 489 I C 0.301 176.429 176.117 0.018 0.000 1.036 489 I CA -0.521 60.785 61.300 0.010 0.000 1.221 489 I CB 1.466 39.484 38.000 0.030 0.000 1.385 489 I HN 0.810 nan 8.210 nan 0.000 0.472 490 S N 4.296 120.000 115.700 0.007 0.000 2.617 490 S HA 0.109 4.579 4.470 0.000 0.000 0.259 490 S C 1.214 175.826 174.600 0.020 0.000 1.301 490 S CA -0.361 57.847 58.200 0.012 0.000 0.984 490 S CB 0.803 64.006 63.200 0.005 0.000 0.954 490 S HN 0.757 nan 8.310 nan 0.000 0.572 491 E N 0.435 120.649 120.200 0.023 0.000 2.106 491 E HA -0.214 4.136 4.350 0.000 0.000 0.192 491 E C 1.567 178.182 176.600 0.026 0.000 0.984 491 E CA 1.399 57.817 56.400 0.031 0.000 0.806 491 E CB -0.470 29.247 29.700 0.028 0.000 0.750 491 E HN 0.850 nan 8.360 nan 0.000 0.458 492 E N 1.089 121.298 120.200 0.014 0.000 2.106 492 E HA -0.089 4.261 4.350 0.000 0.000 0.192 492 E C 2.203 178.800 176.600 -0.005 0.000 0.984 492 E CA 1.114 57.518 56.400 0.008 0.000 0.806 492 E CB 0.009 29.712 29.700 0.004 0.000 0.750 492 E HN 0.144 nan 8.360 nan 0.000 0.458 493 S N 0.785 116.476 115.700 -0.014 0.000 2.383 493 S HA -0.152 4.318 4.470 0.000 0.000 0.227 493 S C 1.665 176.226 174.600 -0.065 0.000 1.026 493 S CA 0.959 59.132 58.200 -0.045 0.000 0.981 493 S CB -0.156 63.015 63.200 -0.047 0.000 0.818 493 S HN 0.276 nan 8.310 nan 0.000 0.472 494 D N 1.273 121.667 120.400 -0.010 0.000 2.144 494 D HA 0.001 4.641 4.640 0.000 0.000 0.200 494 D C 2.021 178.366 176.300 0.076 0.000 0.978 494 D CA 1.049 55.078 54.000 0.049 0.000 0.833 494 D CB -0.075 40.808 40.800 0.139 0.000 0.961 494 D HN 0.345 nan 8.370 nan 0.000 0.470 495 A N 0.724 123.575 122.820 0.053 0.000 1.930 495 A HA -0.164 4.156 4.320 0.000 0.000 0.217 495 A C 2.136 179.735 177.584 0.024 0.000 1.175 495 A CA 1.768 53.838 52.037 0.055 0.000 0.627 495 A CB -0.350 18.676 19.000 0.042 0.000 0.815 495 A HN 0.125 nan 8.150 nan 0.000 0.443 496 K N 0.082 120.472 120.400 -0.017 0.000 2.002 496 K HA 0.023 4.343 4.320 0.000 0.000 0.209 496 K C 1.808 178.343 176.600 -0.109 0.000 1.048 496 K CA 1.449 57.703 56.287 -0.054 0.000 0.930 496 K CB -0.620 31.840 32.500 -0.067 0.000 0.714 496 K HN 0.387 nan 8.250 nan 0.000 0.438 497 L N 0.704 121.827 121.223 -0.167 0.000 2.083 497 L HA -0.186 4.154 4.340 0.000 0.000 0.209 497 L C 2.470 179.275 176.870 -0.108 0.000 1.083 497 L CA 1.479 56.161 54.840 -0.264 0.000 0.752 497 L CB -0.331 41.363 42.059 -0.608 0.000 0.899 497 L HN 0.332 nan 8.230 nan 0.000 0.433 498 K N -0.022 120.410 120.400 0.054 0.000 2.074 498 K HA -0.299 4.021 4.320 0.000 0.000 0.209 498 K C 1.941 178.571 176.600 0.050 0.000 1.048 498 K CA 2.089 58.485 56.287 0.182 0.000 0.926 498 K CB 0.051 32.689 32.500 0.229 0.000 0.713 498 K HN 0.168 nan 8.250 nan 0.000 0.444 499 E N 0.424 120.642 120.200 0.030 0.000 2.112 499 E HA -0.058 4.292 4.350 0.000 0.000 0.190 499 E C 1.808 178.427 176.600 0.031 0.000 0.979 499 E CA 0.907 57.329 56.400 0.036 0.000 0.814 499 E CB 0.016 29.741 29.700 0.041 0.000 0.762 499 E HN 0.330 nan 8.360 nan 0.000 0.460 500 I N -0.236 120.326 120.570 -0.013 0.000 2.142 500 I HA -0.281 3.889 4.170 0.000 0.000 0.240 500 I C 2.124 178.360 176.117 0.199 0.000 1.078 500 I CA 0.916 62.241 61.300 0.041 0.000 1.343 500 I CB -0.362 37.511 38.000 -0.213 0.000 1.046 500 I HN 0.031 nan 8.210 nan 0.000 0.405 501 V N 0.368 120.326 119.914 0.074 0.000 2.295 501 V HA -0.277 3.843 4.120 0.000 0.000 0.246 501 V C 2.512 178.555 176.094 -0.085 0.000 1.049 501 V CA 2.513 64.764 62.300 -0.082 0.000 1.024 501 V CB -1.413 30.036 31.823 -0.624 0.000 0.648 501 V HN 0.476 nan 8.190 nan 0.000 0.447 502 T N 0.595 115.060 114.554 -0.148 0.000 2.684 502 T HA -0.195 4.155 4.350 0.000 0.000 0.267 502 T C 1.850 176.609 174.700 0.099 0.000 1.036 502 T CA 1.854 63.970 62.100 0.027 0.000 1.148 502 T CB -0.414 68.510 68.868 0.094 0.000 0.863 502 T HN 0.435 nan 8.240 nan 0.000 0.436 503 N N 0.515 119.286 118.700 0.118 0.000 2.216 503 N HA 0.033 4.773 4.740 0.000 0.000 0.183 503 N C 1.536 177.121 175.510 0.125 0.000 1.017 503 N CA 0.635 53.757 53.050 0.120 0.000 0.861 503 N CB -0.527 38.041 38.487 0.135 0.000 0.986 503 N HN 0.373 nan 8.380 nan 0.000 0.428 504 F N 1.580 121.567 119.950 0.061 0.000 2.102 504 F HA -0.104 4.423 4.527 0.000 0.000 0.298 504 F C 2.155 178.036 175.800 0.134 0.000 1.105 504 F CA 0.808 58.823 58.000 0.026 0.000 1.239 504 F CB -0.412 38.656 39.000 0.115 0.000 0.991 504 F HN -0.048 nan 8.300 nan 0.000 0.474 505 L N 0.781 122.156 121.223 0.253 0.000 2.079 505 L HA -0.077 4.264 4.340 0.000 0.000 0.210 505 L C 2.399 179.326 176.870 0.095 0.000 1.081 505 L CA 1.932 56.900 54.840 0.212 0.000 0.752 505 L CB -1.132 41.047 42.059 0.200 0.000 0.896 505 L HN 0.185 nan 8.230 nan 0.000 0.433 506 A N -0.886 121.969 122.820 0.060 0.000 2.019 506 A HA 0.023 4.343 4.320 0.000 0.000 0.219 506 A C 1.879 179.466 177.584 0.005 0.000 1.164 506 A CA 1.326 53.387 52.037 0.039 0.000 0.644 506 A CB -0.997 18.027 19.000 0.040 0.000 0.805 506 A HN 0.515 nan 8.150 nan 0.000 0.449 507 G N -2.267 106.499 108.800 -0.057 0.000 4.222 507 G HA2 0.362 4.322 3.960 0.000 0.000 0.301 507 G HA3 0.362 4.322 3.960 0.000 0.000 0.301 507 G C 0.493 175.298 174.900 -0.158 0.000 1.171 507 G CA 0.156 45.198 45.100 -0.096 0.000 0.937 507 G HN 0.283 nan 8.290 nan 0.000 0.557 508 F N 1.256 121.047 119.950 -0.265 0.000 2.037 508 F HA 0.196 4.723 4.527 0.000 0.000 0.291 508 F C 0.912 176.627 175.800 -0.141 0.000 1.137 508 F CA 0.725 58.546 58.000 -0.298 0.000 1.178 508 F CB 0.223 39.160 39.000 -0.105 0.000 0.995 508 F HN -0.008 nan 8.300 nan 0.000 0.472 509 E N 2.225 122.189 120.200 -0.393 0.000 1.944 509 E HA 0.292 4.642 4.350 0.000 0.000 0.272 509 E C 0.199 176.652 176.600 -0.245 0.000 1.195 509 E CA 0.085 56.216 56.400 -0.448 0.000 0.926 509 E CB 0.306 29.879 29.700 -0.212 0.000 1.051 509 E HN 0.378 nan 8.360 nan 0.000 0.404 510 A N 0.000 122.667 122.820 -0.255 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.945 52.037 -0.154 0.000 0.836 510 A CB 0.000 18.916 19.000 -0.139 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486